data_6ax2_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 6ax2 _Structure_validation_residue.Date_analyzed 2018-01-05 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 121.984 0.769 . . . . 0.0 114.697 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -59.33 157.16 11.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.256 1.823 . . . . 0.0 114.788 -174.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.9 mm -74.89 129.66 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.15 0.98 . . . . 0.0 111.362 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -75.54 163.27 27.53 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.272 1.829 . . . . 0.0 113.329 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -63.13 134.45 56.05 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.259 -0.9 . . . . 0.0 112.398 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.9 t30 51.49 27.53 3.89 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.963 2.105 . . . . 0.0 114.124 -173.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -97.27 161.8 13.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.748 1.619 . . . . 0.0 110.08 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -66.23 130.52 43.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.729 0.811 . . . . 0.0 113.116 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 m -65.96 -20.77 66.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.611 1.164 . . . . 0.0 112.793 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.27 38.4 tp60 56.69 5.82 0.24 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 129.978 3.311 . . . . 0.0 117.384 168.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m 60.21 13.07 3.66 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.908 -1.745 . . . . 0.0 113.347 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 t -73.07 156.25 38.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.918 1.687 . . . . 0.0 111.058 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -59.28 -24.94 63.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.087 0.955 . . . . 0.0 112.895 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.71 132.39 48.0 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.789 1.235 . . . . 0.0 113.689 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.21 166.35 18.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.194 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -74.75 154.58 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.606 -0.684 . . . . 0.0 112.498 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -68.14 126.17 28.67 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.545 0.738 . . . . 0.0 111.49 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.0 129.35 1.16 Allowed Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.132 0.872 . . . . 0.0 112.597 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -59.51 -27.14 65.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 113.344 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.17 -24.23 57.85 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.124 1.528 . . . . 0.0 115.124 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -76.1 140.56 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.143 1.338 . . . . 0.0 111.401 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -137.04 149.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.445 1.098 . . . . 0.0 113.51 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -78.66 146.68 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.881 1.672 . . . . 0.0 112.211 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -155.63 141.15 17.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.457 1.503 . . . . 0.0 112.725 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.42 135.43 47.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.461 1.504 . . . . 0.0 110.592 168.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -78.53 -34.61 47.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.513 1.125 . . . . 0.0 112.57 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -77.75 151.37 79.66 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 123.954 0.901 . . . . 0.0 111.027 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.71 -27.59 85.09 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.749 2.966 . . . . 0.0 113.281 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -127.13 137.48 52.98 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.551 1.54 . . . . 0.0 109.083 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.03 156.25 15.43 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 121.435 0.464 . . . . 0.0 114.096 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.4 m -130.96 -26.5 2.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.796 1.639 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -76.1 35.96 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.425 1.89 . . . . 0.0 113.588 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.4 m -68.54 157.07 36.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.314 1.846 . . . . 0.0 112.768 -169.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -129.22 151.55 49.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.58 78.63 7.3 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.195 0.598 . . . . 0.0 111.65 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -122.09 22.02 10.35 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.587 1.955 . . . . 0.0 112.142 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -145.59 166.81 24.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.074 2.149 . . . . 0.0 112.053 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -121.91 142.67 50.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.905 1.682 . . . . 0.0 110.111 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.9 146.8 25.44 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.713 1.142 . . . . 0.0 112.77 171.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.238 0.468 0 C-N-CA 123.369 0.668 . . . . 0.0 110.8 -177.801 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.406 0 CA-C-O 118.38 -1.233 . . . . 0.0 115.938 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -54.41 146.86 14.91 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.64 1.72 . . . . 0.0 114.172 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.8 mm -79.83 131.76 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.47 1.108 . . . . 0.0 111.273 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.1 162.38 29.52 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.916 1.286 . . . . 0.0 113.386 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -61.43 138.18 58.26 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.463 0.649 . . . . 0.0 112.493 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.3 t30 58.01 18.76 5.37 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.991 2.116 . . . . 0.0 114.982 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -78.95 148.83 32.49 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 119.74 -1.85 . . . . 0.0 111.093 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -68.08 127.62 33.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.023 1.329 . . . . 0.0 110.041 170.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.36 11.47 1.72 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 118.173 2.657 . . . . 0.0 118.173 -165.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -53.43 137.09 36.59 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 120.205 -1.559 . . . . 0.0 112.803 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 p 57.23 5.64 0.29 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 127.199 2.2 . . . . 0.0 116.721 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -65.11 137.76 57.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.907 -1.12 . . . . 0.0 112.933 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -66.27 -28.89 69.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.892 1.677 . . . . 0.0 113.221 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -100.85 148.5 24.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.586 1.954 . . . . 0.0 111.36 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -76.49 160.31 29.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.997 0.903 . . . . 0.0 112.752 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 82.7 m -73.06 144.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.555 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.7 m -60.43 121.6 12.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.468 0.707 . . . . 0.0 110.62 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 -176.35 18.09 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.655 1.121 . . . . 0.0 112.2 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -85.82 -45.59 11.44 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -151.75 53.31 0.82 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.706 1.602 . . . . 0.0 112.685 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.29 148.43 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.239 -0.913 . . . . 0.0 108.636 168.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.91 149.04 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 121.208 -0.932 . . . . 0.0 113.51 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.82 70.19 0.71 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 112.212 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -68.14 137.07 54.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.493 2.317 . . . . 0.0 113.618 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -85.56 115.87 23.52 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.312 0.645 . . . . 0.0 111.261 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -103.8 -12.46 16.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.259 1.824 . . . . 0.0 115.422 -168.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -154.46 135.85 9.02 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 124.349 1.06 . . . . 0.0 110.908 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -59.79 -27.38 84.81 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.918 2.412 . . . . 0.0 114.859 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -66.09 -31.33 72.14 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.743 -0.598 . . . . 0.0 112.309 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.1 153.55 41.75 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.985 1.278 . . . . 0.0 114.28 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.3 p -130.99 168.72 16.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.116 1.766 . . . . 0.0 108.539 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 53.37 71.78 0.48 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.577 1.151 . . . . 0.0 111.841 -170.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.6 m -58.84 159.15 7.22 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.635 1.574 . . . . 0.0 114.055 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -108.21 141.79 39.44 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 -165.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.97 66.46 0.8 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.318 1.047 . . . . 0.0 113.026 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -110.95 4.94 20.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.149 1.38 . . . . 0.0 113.815 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -144.4 144.24 31.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.466 1.107 . . . . 0.0 111.874 -170.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.8 m -73.16 154.54 40.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.62 1.168 . . . . 0.0 111.077 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -55.75 159.72 2.93 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 161.737 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.579 0 N-CA-C 113.013 -0.035 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -149.52 149.54 30.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.041 1.336 . . . . 0.0 112.469 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.9 mm -78.79 130.61 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.546 1.138 . . . . 0.0 110.321 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -83.91 171.26 13.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 122.162 0.982 . . . . 0.0 113.603 -172.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -58.25 142.39 47.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.176 0.99 . . . . 0.0 113.133 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 66.68 7.52 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.091 2.156 . . . . 0.0 115.586 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -88.04 158.95 18.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.702 1.201 . . . . 0.0 113.136 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -65.89 135.16 54.41 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.05 1.34 . . . . 0.0 113.883 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.3 t -110.26 -8.82 14.69 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.985 2.114 . . . . 0.0 113.607 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -61.79 -25.92 67.77 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -170.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.4 p -134.93 -11.4 2.28 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -168.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -56.96 142.46 41.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.22 1.008 . . . . 0.0 113.475 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.5 p -86.21 -5.73 59.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.837 1.255 . . . . 0.0 113.69 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.45 146.19 36.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.901 1.28 . . . . 0.0 111.515 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -69.57 160.38 31.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.46 157.41 34.27 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.459 168.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.65 -174.98 0.24 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.367 1.467 . . . . 0.0 113.134 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.56 -124.4 0.02 OUTLIER Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.31 1.434 . . . . 0.0 115.253 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 45.09 32.16 0.85 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.315 1.846 . . . . 0.0 115.144 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.8 t 63.97 15.28 9.07 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 126.598 1.959 . . . . 0.0 115.621 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.08 145.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.226 1.41 . . . . 0.0 113.81 -170.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.33 163.16 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.972 2.509 . . . . 0.0 111.998 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.05 144.77 28.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.862 1.665 . . . . 0.0 112.723 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -143.85 147.14 33.65 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.141 1.376 . . . . 0.0 111.994 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -114.29 133.01 55.96 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.44 1.496 . . . . 0.0 110.688 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -55.14 -33.57 63.01 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -146.71 154.28 47.73 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 126.064 1.746 . . . . 0.0 110.314 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.33 -10.51 27.21 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.458 2.105 . . . . 0.0 114.605 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -100.54 -28.37 12.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.675 1.19 . . . . 0.0 114.19 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.13 135.77 43.09 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 119.089 0.859 . . . . 0.0 113.037 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -84.91 6.66 23.99 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -101.2 129.1 47.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.419 1.488 . . . . 0.0 111.637 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -147.42 133.15 18.92 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.357 1.463 . . . . 0.0 109.693 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.93 150.07 52.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.718 1.207 . . . . 0.0 113.979 -167.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.1 m -78.21 83.2 4.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.183 0.993 . . . . 0.0 110.169 166.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -142.67 26.4 1.75 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.87 2.468 . . . . 0.0 113.339 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -142.91 166.8 23.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.031 1.732 . . . . 0.0 109.926 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.6 p -132.03 148.34 52.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.781 1.232 . . . . 0.0 111.179 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -72.53 160.83 31.65 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.075 -1.016 . . . . 0.0 113.335 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 N--CA 1.477 0.921 0 C-N-CA 124.636 1.174 . . . . 0.0 114.161 -172.738 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.396 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -62.18 155.34 24.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.632 1.173 . . . . 0.0 112.275 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.36 131.35 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.04 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -76.91 160.95 28.79 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.674 -0.641 . . . . 0.0 112.026 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.35 130.56 39.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.996 -1.065 . . . . 0.0 112.789 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 t30 62.08 -5.77 0.16 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 128.033 2.533 . . . . 0.0 117.57 -170.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -73.16 164.14 27.12 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.662 1.573 . . . . 0.0 111.458 169.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -97.61 138.14 35.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -172.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.55 2.47 55.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.482 1.513 . . . . 0.0 113.427 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.49 -23.02 65.6 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -89.52 3.14 53.39 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 t -152.58 154.38 35.28 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -174.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 t -71.62 -22.48 61.7 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.42 167.25 22.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.282 0.946 . . . . 0.0 111.974 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -137.51 -169.43 2.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -166.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 m -69.54 154.84 41.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.767 1.627 . . . . 0.0 111.426 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 m -72.84 123.21 22.93 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.201 -0.937 . . . . 0.0 110.899 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.77 165.46 10.85 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.987 1.28 . . . . 0.0 114.373 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -79.15 -46.53 17.78 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -169.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.79 6.22 5.09 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.762 1.225 . . . . 0.0 113.92 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.45 132.79 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.051 1.74 . . . . 0.0 110.565 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.83 156.6 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 t -117.22 72.15 0.82 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.529 1.132 . . . . 0.0 107.96 169.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.82 132.17 44.9 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.893 2.477 . . . . 0.0 115.726 -166.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.1 126.87 39.59 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.521 1.929 . . . . 0.0 111.34 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.62 -27.2 45.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.331 1.052 . . . . 0.0 113.112 169.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -141.59 81.7 14.85 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 108.324 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.43 -24.07 33.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 124.131 3.221 . . . . 0.0 117.175 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -66.32 -26.01 67.1 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.765 0.826 . . . . 0.0 113.11 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.89 177.19 24.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.438 1.971 . . . . 0.0 114.028 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.9 p -90.94 95.76 10.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.518 1.127 . . . . 0.0 111.729 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -154.84 6.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.46 117.64 7.6 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.897 1.226 . . . . 0.0 111.691 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -140.18 144.61 36.7 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.775 1.63 . . . . 0.0 113.126 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.31 127.89 34.37 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.076 0.95 . . . . 0.0 113.054 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -155.63 168.12 28.18 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.686 1.594 . . . . 0.0 113.087 -167.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -45.62 131.27 8.91 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 128.022 2.529 . . . . 0.0 114.266 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -66.74 149.5 50.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.861 1.664 . . . . 0.0 114.929 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -63.07 138.56 58.59 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.534 1.533 . . . . 0.0 112.706 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 tp . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.366 1.066 . . . . 0.0 112.881 176.295 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 112.744 -0.143 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.1 p -154.79 152.2 29.57 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.892 -0.769 . . . . 0.0 111.821 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -86.4 131.87 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.951 1.3 . . . . 0.0 111.009 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.2 162.28 27.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.93 1.292 . . . . 0.0 113.161 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -54.6 133.75 46.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 112.443 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.39 16.01 0.8 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.669 2.388 . . . . 0.0 115.584 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -86.53 148.62 25.43 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.359 -0.838 . . . . 0.0 111.915 169.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -79.78 125.86 30.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.541 1.136 . . . . 0.0 113.408 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m -73.72 16.7 0.19 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.271 1.828 . . . . 0.0 114.638 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -57.85 141.98 47.36 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.757 -1.214 . . . . 0.0 112.55 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 13.6 p 66.96 11.82 8.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.764 2.826 . . . . 0.0 118.232 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -141.95 159.96 41.17 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.887 1.221 . . . . 0.0 113.897 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 p -91.15 13.92 15.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.791 1.236 . . . . 0.0 113.204 169.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.88 153.7 41.71 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.887 -1.133 . . . . 0.0 112.321 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -91.0 163.46 14.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.434 1.494 . . . . 0.0 112.021 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.7 m -65.16 155.71 34.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.227 1.011 . . . . 0.0 111.838 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -71.62 42.26 0.08 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.25 151.69 23.0 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.289 1.423 . . . . 0.0 112.29 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -53.51 -32.39 50.23 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -132.49 -0.07 3.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 113.661 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.03 142.14 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.04 0.936 . . . . 0.0 110.309 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 m -135.34 153.25 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m -72.19 84.37 1.03 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.122 2.169 . . . . 0.0 111.517 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -73.02 115.78 12.75 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.927 -1.108 . . . . 0.0 112.304 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.21 80.97 5.53 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.9 1.28 . . . . 0.0 111.006 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' CE1' ' HG1' ' A' ' 28' ' ' THR . 26.7 p80 -68.36 -31.5 70.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.466 1.106 . . . . 0.0 113.59 -172.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.456 ' HG1' ' CE1' ' A' ' 27' ' ' HIS . 3.2 p -131.96 149.67 73.98 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.421 1.089 . . . . 0.0 112.514 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.97 -8.61 20.26 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.654 2.903 . . . . 0.0 113.736 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -72.24 122.02 20.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.744 1.618 . . . . 0.0 111.039 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.3 -133.69 24.67 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.796 1.188 . . . . 0.0 113.758 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -110.7 57.72 0.62 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.428 1.491 . . . . 0.0 109.732 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -73.43 63.06 0.76 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.45 1.1 . . . . 0.0 112.042 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.7 m -113.38 96.03 5.68 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.45 1.5 . . . . 0.0 110.088 -172.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.39 144.62 26.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.989 1.315 . . . . 0.0 113.405 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -68.49 90.97 0.39 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.904 0.482 . . . . 0.0 111.409 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.88 -10.58 0.78 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -136.64 163.79 29.74 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.174 1.39 . . . . 0.0 111.162 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.1 m -134.47 133.54 40.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.142 0.977 . . . . 0.0 111.704 -168.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.87 136.02 57.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.825 1.25 . . . . 0.0 111.932 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 169.73 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.334 0 CA-C-O 120.136 -0.258 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.2 p -55.43 152.35 8.88 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.99 1.316 . . . . 0.0 113.691 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.7 mm -63.95 140.11 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.278 1.431 . . . . 0.0 110.83 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.56 161.85 29.34 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.582 1.153 . . . . 0.0 113.453 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -50.52 127.69 18.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.019 1.328 . . . . 0.0 113.307 -171.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.92 16.08 1.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -80.6 169.36 17.75 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 120.265 1.393 . . . . 0.0 114.053 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t -67.06 145.55 55.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.329 1.052 . . . . 0.0 112.811 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -148.98 92.84 2.02 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.51 1.524 . . . . 0.0 110.134 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -149.62 147.29 27.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.882 0.873 . . . . 0.0 112.733 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m 64.84 -44.89 0.33 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.532 2.733 . . . . 0.0 115.077 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -54.09 150.54 8.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.268 1.427 . . . . 0.0 113.421 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 t -72.11 -21.3 61.51 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.235 1.014 . . . . 0.0 112.574 171.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.98 164.67 26.33 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 113.334 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -138.9 174.4 10.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.244 1.418 . . . . 0.0 112.356 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -74.84 150.95 39.07 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.06 0.933 . . . . 0.0 112.382 175.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -67.47 149.9 49.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.308 1.043 . . . . 0.0 112.52 -169.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.79 -156.63 30.3 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.896 1.236 . . . . 0.0 113.126 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -117.35 -37.3 3.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.337 1.855 . . . . 0.0 113.201 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -65.79 -38.86 90.13 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.3 t -81.79 141.53 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.305 1.042 . . . . 0.0 111.307 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.92 141.97 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.85 . . . . 0.0 112.458 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.8 m -69.49 65.22 0.18 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.001 2.12 . . . . 0.0 111.639 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -65.68 122.73 17.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.372 1.469 . . . . 0.0 114.537 -169.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.5 m -87.32 86.64 7.27 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 122.401 1.096 . . . . 0.0 110.641 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -60.52 -26.85 67.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.527 1.931 . . . . 0.0 114.713 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -131.95 135.31 26.43 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 119.335 0.971 . . . . 0.0 111.801 -171.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -55.3 134.2 62.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.697 2.265 . . . . 0.0 112.486 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 59.62 9.77 1.7 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.29 124.32 6.39 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 120.018 -1.676 . . . . 0.0 113.095 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 m -75.67 -21.02 58.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.948 1.299 . . . . 0.0 112.86 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -75.37 29.03 0.1 Allowed 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.7 m -54.34 143.73 22.58 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.614 1.552 . . . . 0.0 111.458 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -145.07 147.53 32.67 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -71.94 58.8 0.35 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.364 1.066 . . . . 0.0 112.711 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -117.17 23.03 12.13 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.313 1.445 . . . . 0.0 114.156 -169.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.1 144.06 27.57 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.183 1.393 . . . . 0.0 111.814 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.6 m -105.28 129.18 53.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.852 1.661 . . . . 0.0 110.645 173.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -70.07 157.63 37.2 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.935 1.294 . . . . 0.0 114.414 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 tp . . . . . 0 CA--C 1.54 0.566 0 C-N-CA 124.613 1.165 . . . . 0.0 112.697 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.265 0 N-CA-C 113.885 0.314 . . . . 0.0 113.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.13 169.96 14.66 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.551 1.541 . . . . 0.0 111.444 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.9 126.12 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -75.44 150.79 38.19 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.582 -0.699 . . . . 0.0 111.079 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -56.48 140.08 47.17 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.902 -1.124 . . . . 0.0 111.886 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.9 t30 63.6 4.67 1.89 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -172.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -95.52 158.22 15.55 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.258 -1.526 . . . . 0.0 111.28 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -62.97 140.32 58.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.576 1.151 . . . . 0.0 113.137 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -123.62 13.59 9.37 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.383 2.273 . . . . 0.0 112.4 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -77.12 146.79 36.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.344 1.458 . . . . 0.0 112.294 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m 52.42 43.69 30.67 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.2 1.4 . . . . 0.0 113.315 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t -153.03 147.03 25.43 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.539 -1.351 . . . . 0.0 112.607 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -91.23 -15.68 28.84 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.973 1.309 . . . . 0.0 113.225 -177.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 156.09 26.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.035 -1.041 . . . . 0.0 111.912 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -113.9 174.26 6.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.211 1.404 . . . . 0.0 113.742 -167.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.43 155.97 13.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.264 0.626 . . . . 0.0 111.094 167.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.46 147.61 37.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.954 169.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.15 152.41 22.53 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.44 1.019 . . . . 0.0 114.714 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.1 -39.81 95.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.422 1.889 . . . . 0.0 115.348 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.53 -9.36 22.12 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -172.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 t -82.17 140.25 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.061 1.344 . . . . 0.0 110.698 -172.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.09 158.48 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.997 0.919 . . . . 0.0 113.459 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -89.11 131.32 35.31 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.772 2.029 . . . . 0.0 111.971 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -123.33 144.87 49.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.298 1.039 . . . . 0.0 111.837 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.2 m -120.54 128.88 53.5 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -168.43 166.12 12.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.87 2.468 . . . . 0.0 109.782 168.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m 53.34 80.51 0.29 Allowed Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 125.964 1.706 . . . . 0.0 114.015 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -56.27 -21.55 36.76 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.515 3.477 . . . . 0.0 118.558 -172.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -55.46 118.14 4.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.352 1.061 . . . . 0.0 112.991 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.19 -31.08 0.32 Allowed Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.806 1.669 . . . . 0.0 115.631 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 t -165.73 134.24 3.13 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.824 1.65 . . . . 0.0 111.108 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -73.37 -17.92 61.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 117.117 -1.421 . . . . 0.0 114.429 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 m -151.66 137.55 18.09 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.171 1.35 . . . . 0.0 114.271 -168.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.77 153.09 36.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.476 1.91 . . . . 0.0 111.452 172.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.13 100.94 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -163.37 162.11 24.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.279 1.832 . . . . 0.0 111.536 -167.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 61.29 62.68 1.33 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.389 1.876 . . . . 0.0 113.216 175.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -62.25 162.28 10.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.255 1.422 . . . . 0.0 112.838 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -74.1 109.16 7.37 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.523 1.129 . . . . 0.0 110.475 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -171.554 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.334 0 N-CA-C 114.701 0.64 . . . . 0.0 114.701 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.1 p -159.37 150.11 19.54 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.761 1.624 . . . . 0.0 109.972 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -77.35 127.37 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 118.56 0.618 . . . . 0.0 110.423 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -86.17 158.69 19.7 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -59.05 134.11 56.7 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.211 1.404 . . . . 0.0 112.554 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 56.82 13.42 1.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.035 2.534 . . . . 0.0 115.314 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -82.03 150.64 27.49 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.775 -1.203 . . . . 0.0 111.751 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -61.95 139.35 58.4 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.482 1.113 . . . . 0.0 113.092 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -156.82 57.4 0.54 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 112.191 -171.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.22 -30.8 17.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 175.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -160.29 110.2 1.79 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.775 1.23 . . . . 0.0 110.83 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 t -157.64 -165.57 1.8 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.932 2.093 . . . . 0.0 111.032 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -133.91 20.29 3.81 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 126.574 1.95 . . . . 0.0 113.815 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.73 157.91 44.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.596 1.158 . . . . 0.0 112.731 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -88.9 171.83 9.62 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.702 1.601 . . . . 0.0 113.32 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.0 m -66.76 166.26 13.49 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.5 0.72 . . . . 0.0 111.806 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.9 m -75.16 42.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.921 1.688 . . . . 0.0 114.506 -176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.46 -179.47 47.71 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.244 1.878 . . . . 0.0 112.129 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -84.59 -40.99 16.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.807 1.243 . . . . 0.0 113.788 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.7 -21.62 19.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.497 1.519 . . . . 0.0 112.72 -170.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.62 140.5 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.908 2.083 . . . . 0.0 111.826 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 m -147.77 158.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.4 m -80.64 131.21 35.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.161 0.984 . . . . 0.0 110.776 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -149.06 137.76 21.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.663 1.185 . . . . 0.0 110.631 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.5 m -87.51 99.83 12.32 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -110.58 1.98 18.41 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -168.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.8 m -142.41 87.03 9.59 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.73 1.212 . . . . 0.0 110.461 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -59.11 -8.81 6.88 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.867 3.711 . . . . 0.0 116.987 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -69.53 27.21 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.409 2.283 . . . . 0.0 114.308 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.15 -166.45 31.55 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 126.141 1.829 . . . . 0.0 113.326 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -67.98 -9.69 47.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.495 1.918 . . . . 0.0 113.362 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -48.97 117.35 2.05 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.905 2.482 . . . . 0.0 113.393 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.1 t -152.31 130.9 12.27 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.725 1.61 . . . . 0.0 107.84 170.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -145.94 160.95 41.11 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -166.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -77.17 77.07 3.71 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -147.32 34.05 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 111.822 -168.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -144.43 146.55 32.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.398 2.279 . . . . 0.0 109.952 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -150.93 148.34 28.29 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.383 -0.823 . . . . 0.0 112.852 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -76.46 129.87 37.16 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.796 1.638 . . . . 0.0 110.561 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.546 0.806 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.836 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.249 0 CA-C-O 120.036 -0.313 . . . . 0.0 113.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.42 154.3 32.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 113.477 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.2 mm -75.4 131.18 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.452 -0.78 . . . . 0.0 111.27 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -89.2 161.49 16.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.422 1.089 . . . . 0.0 112.181 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -54.83 132.49 46.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.239 1.016 . . . . 0.0 112.793 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 61.14 3.7 0.75 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.863 2.465 . . . . 0.0 115.642 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -76.03 163.13 27.45 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 119.762 -1.836 . . . . 0.0 110.946 168.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -71.1 139.84 50.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.216 1.406 . . . . 0.0 113.048 -176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.69 16.49 4.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.114 1.766 . . . . 0.0 113.031 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.76 -26.38 68.33 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 m -149.13 93.49 2.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.088 1.355 . . . . 0.0 110.358 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -163.93 144.87 8.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.031 1.332 . . . . 0.0 112.344 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 p -76.29 -12.38 60.07 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -113.43 176.25 5.11 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -92.05 164.98 13.41 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -68.51 129.43 39.91 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.986 166.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 135.19 56.38 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.922 1.237 . . . . 0.0 111.485 171.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.62 135.96 4.64 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.205 1.86 . . . . 0.0 111.434 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.02 -29.18 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.728 1.211 . . . . 0.0 113.461 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.82 5.99 5.07 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.685 1.594 . . . . 0.0 113.94 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.2 t -70.64 137.86 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 119.756 1.162 . . . . 0.0 110.619 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.44 149.53 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.749 1.22 . . . . 0.0 112.2 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.28 121.33 22.79 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.563 0.745 . . . . 0.0 110.226 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -112.2 98.56 7.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.008 1.723 . . . . 0.0 110.995 -171.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.5 m -88.56 130.26 35.29 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.04 1.336 . . . . 0.0 111.911 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -158.15 -9.11 0.08 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m 49.89 74.54 0.79 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 125.441 1.496 . . . . 0.0 113.947 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.78 -41.03 1.65 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.329 2.019 . . . . 0.0 113.419 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -144.62 -24.06 0.52 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -170.29 -54.52 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 CA-C-N 119.052 0.842 . . . . 0.0 113.683 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.2 m -73.69 120.48 19.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.169 0.984 . . . . 0.0 110.092 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -70.27 -45.11 67.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -168.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.8 m -144.15 142.07 30.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -139.75 150.16 44.46 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.571 1.549 . . . . 0.0 111.916 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.1 m -75.66 51.52 0.61 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.159 1.384 . . . . 0.0 113.052 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -108.73 31.4 5.67 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.542 1.537 . . . . 0.0 113.202 -169.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -154.02 149.6 27.37 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.357 -1.464 . . . . 0.0 112.687 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.2 m -102.7 146.72 27.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.745 1.218 . . . . 0.0 112.051 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -58.38 140.79 53.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.626 1.97 . . . . 0.0 112.712 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 124.636 1.174 . . . . 0.0 113.799 -178.471 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.481 0 N-CA-C 115.865 1.106 . . . . 0.0 115.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.33 162.59 36.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.046 1.338 . . . . 0.0 112.724 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.4 mm -78.66 136.15 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.902 0.881 . . . . 0.0 110.606 168.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -62.83 156.75 23.19 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.68 1.592 . . . . 0.0 113.889 173.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -75.98 151.32 37.25 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.258 -0.901 . . . . 0.0 111.833 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 55.86 33.97 22.61 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.389 1.475 . . . . 0.0 112.506 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -143.8 151.45 39.96 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.103 1.761 . . . . 0.0 111.479 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 t -72.5 139.1 47.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -90.47 -1.2 57.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.04 -23.07 61.68 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -76.03 -20.91 57.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -154.95 151.78 28.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.942 1.246 . . . . 0.0 113.564 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.3 m -71.25 -18.89 62.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.015 1.326 . . . . 0.0 113.696 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.3 169.14 14.41 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.62 164.29 20.87 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.091 2.156 . . . . 0.0 115.297 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -74.43 153.85 39.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.203 0.601 . . . . 0.0 110.438 168.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.34 156.14 39.71 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.189 -0.944 . . . . 0.0 109.837 167.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.32 120.44 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.719 1.152 . . . . 0.0 111.646 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -65.34 -22.92 66.87 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.08 2.0 52.92 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.9 137.91 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.972 -1.08 . . . . 0.0 112.857 -169.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.52 145.59 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 125.475 1.51 . . . . 0.0 110.903 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 t -73.12 132.85 43.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.535 -0.728 . . . . 0.0 110.066 170.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -127.82 123.34 34.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.156 1.382 . . . . 0.0 112.45 -169.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.61 119.87 26.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.713 -0.617 . . . . 0.0 110.604 171.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -98.24 -25.05 15.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 0.0 112.201 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -76.86 140.23 66.92 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.67 0.788 . . . . 0.0 111.952 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -65.95 -18.69 57.72 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.045 2.497 . . . . 0.0 114.747 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -129.42 165.04 22.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.009 2.124 . . . . 0.0 110.234 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.48 140.82 0.85 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.918 1.247 . . . . 0.0 114.577 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 p -85.43 15.52 4.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.872 1.269 . . . . 0.0 113.634 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -70.78 58.45 0.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.262 2.225 . . . . 0.0 112.163 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.7 m -78.71 146.76 33.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.826 1.251 . . . . 0.0 110.972 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -117.97 133.07 56.27 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.563 1.945 . . . . 0.0 111.209 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.47 87.55 0.65 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.459 1.027 . . . . 0.0 109.613 170.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.81 14.46 0.93 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.269 1.427 . . . . 0.0 112.908 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -143.43 140.87 30.61 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.463 1.105 . . . . 0.0 112.333 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -109.93 127.27 54.64 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 126.212 1.805 . . . . 0.0 109.606 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -74.61 139.44 43.65 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.036 0.934 . . . . 0.0 110.783 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 124.456 1.103 . . . . 0.0 112.756 176.148 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 CA-C-O 119.956 -0.358 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 p -65.88 162.54 18.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.862 1.265 . . . . 0.0 113.497 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.69 131.46 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.507 1.123 . . . . 0.0 110.651 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -80.22 162.48 24.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.788 1.235 . . . . 0.0 113.106 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -56.17 141.05 42.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.185 0.994 . . . . 0.0 112.441 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . 0.27 7.3 m-80 57.98 10.72 1.23 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -79.25 162.73 25.48 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.972 0.805 . . . . 0.0 111.932 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -68.36 130.86 44.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.668 0.787 . . . . 0.0 112.32 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.4 p -119.4 20.05 12.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.952 1.701 . . . . 0.0 111.634 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 126.14 28.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.609 1.163 . . . . 0.0 111.576 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m 44.39 55.77 5.43 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.291 1.836 . . . . 0.0 113.009 172.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -135.26 146.56 48.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.5 m -84.6 -6.39 59.36 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.113 1.765 . . . . 0.0 112.346 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.05 155.83 22.52 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.564 1.545 . . . . 0.0 112.615 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -118.81 152.23 36.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.914 1.286 . . . . 0.0 113.162 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.7 m -86.51 153.72 21.63 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.234 1.414 . . . . 0.0 113.146 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 m -72.35 133.8 45.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.441 1.097 . . . . 0.0 112.831 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.88 136.7 5.81 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 126.715 2.102 . . . . 0.0 114.091 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -54.92 -39.14 68.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.298 1.439 . . . . 0.0 113.486 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -82.76 -13.03 57.03 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.42 140.88 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 120.14 1.336 . . . . 0.0 111.199 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.41 153.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.208 1.003 . . . . 0.0 112.484 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.25 133.06 41.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.631 0.772 . . . . 0.0 110.499 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -131.49 141.3 49.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.2 1.4 . . . . 0.0 112.188 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 m -115.09 130.58 56.97 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.722 1.209 . . . . 0.0 110.73 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -77.95 -0.35 27.33 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.999 0.92 . . . . 0.0 112.717 169.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -122.24 148.86 53.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.484 1.914 . . . . 0.0 113.635 -167.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.55 -20.68 26.76 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.966 3.111 . . . . 0.0 115.072 -170.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -125.44 14.76 8.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 113.494 -175.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.97 74.74 0.95 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.466 1.031 . . . . 0.0 113.868 173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.8 m -118.7 129.46 55.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.084 1.353 . . . . 0.0 110.586 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 47.69 44.27 17.37 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.9 m -67.77 153.47 43.64 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.595 1.158 . . . . 0.0 113.677 -174.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.71 143.69 50.45 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.521 1.528 . . . . 0.0 113.474 -169.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 m -79.86 81.08 6.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.673 -0.642 . . . . 0.0 109.822 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -136.64 28.5 2.97 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.47 1.908 . . . . 0.0 111.918 -172.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -154.59 163.53 40.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.294 1.438 . . . . 0.0 111.775 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.0 p -131.49 146.17 52.11 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -72.53 134.22 45.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.537 1.935 . . . . 0.0 110.877 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 123.415 0.686 . . . . 0.0 111.583 -172.251 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.167 0 CA-C-O 121.335 0.408 . . . . 0.0 114.082 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.86 157.79 17.47 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.973 1.309 . . . . 0.0 113.657 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.37 138.79 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.172 1.389 . . . . 0.0 111.435 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -86.73 159.61 19.1 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -51.31 127.76 20.5 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.98 1.312 . . . . 0.0 113.481 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 m120 61.92 6.92 1.84 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.762 2.825 . . . . 0.0 117.07 -170.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -80.28 157.75 26.34 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.007 1.73 . . . . 0.0 112.009 173.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 t -65.28 132.88 50.19 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.016 0.926 . . . . 0.0 111.834 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.1 t -135.71 55.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.674 1.99 . . . . 0.0 109.701 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -121.88 136.88 54.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.046 1.338 . . . . 0.0 112.146 -168.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m 56.96 50.91 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.681 1.193 . . . . 0.0 111.023 174.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 t -145.2 154.07 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.877 1.271 . . . . 0.0 112.022 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.6 p -74.35 -12.91 60.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.646 1.578 . . . . 0.0 113.732 168.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -78.19 166.03 23.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.954 1.701 . . . . 0.0 114.835 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -126.31 168.95 13.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.457 1.903 . . . . 0.0 113.031 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.04 150.99 45.03 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.8 m -65.81 147.78 52.84 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.632 0.773 . . . . 0.0 112.664 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -178.53 34.01 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.196 0.903 . . . . 0.0 112.81 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -109.36 -23.68 11.43 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 113.429 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.7 m -117.88 -6.98 10.98 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.39 139.97 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.453 1.479 . . . . 0.0 110.472 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.4 m -140.87 152.58 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.568 1.147 . . . . 0.0 113.319 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.1 m -74.3 147.48 42.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.835 0.854 . . . . 0.0 111.719 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -153.77 131.01 11.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.352 1.061 . . . . 0.0 112.47 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.56 117.86 30.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.004 1.322 . . . . 0.0 109.836 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -81.94 15.73 2.16 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -148.25 157.13 42.88 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 126.813 2.045 . . . . 0.0 110.01 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.41 -2.78 12.62 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 123.737 2.958 . . . . 0.0 115.922 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -71.5 -30.03 65.49 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.07 32.15 50.08 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.195 0.902 . . . . 0.0 113.539 -174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 -3.41 6.63 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -130.05 20.67 5.38 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -172.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.4 m -61.02 139.49 58.05 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.1 -1.0 . . . . 0.0 113.236 -170.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.16 153.71 39.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.171 1.789 . . . . 0.0 110.775 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.9 m -74.99 70.67 2.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.348 1.059 . . . . 0.0 111.995 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -122.38 17.48 10.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -144.8 143.65 30.75 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 119.944 -1.723 . . . . 0.0 113.859 -170.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -103.35 138.7 39.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.326 1.051 . . . . 0.0 108.574 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -60.75 137.97 58.15 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.898 1.679 . . . . 0.0 111.269 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.7 tp . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 123.082 0.553 . . . . 0.0 112.364 -176.386 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.34 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.28 179.37 40.78 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-O 121.984 0.769 . . . . 0.0 114.697 -175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -59.33 157.16 11.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.256 1.823 . . . . 0.0 114.788 -174.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.9 mm -74.89 129.66 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.15 0.98 . . . . 0.0 111.362 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -75.54 163.27 27.53 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.272 1.829 . . . . 0.0 113.329 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -63.13 134.45 56.05 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.259 -0.9 . . . . 0.0 112.398 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.9 t30 51.49 27.53 3.89 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.963 2.105 . . . . 0.0 114.124 -173.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -97.27 161.8 13.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.748 1.619 . . . . 0.0 110.08 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -66.23 130.52 43.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.729 0.811 . . . . 0.0 113.116 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 m -65.96 -20.77 66.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.611 1.164 . . . . 0.0 112.793 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.27 38.4 tp60 56.69 5.82 0.24 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 129.978 3.311 . . . . 0.0 117.384 168.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m 60.21 13.07 3.66 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.908 -1.745 . . . . 0.0 113.347 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 t -73.07 156.25 38.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.918 1.687 . . . . 0.0 111.058 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -59.28 -24.94 63.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.087 0.955 . . . . 0.0 112.895 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.71 132.39 48.0 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.789 1.235 . . . . 0.0 113.689 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.21 166.35 18.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.194 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -74.75 154.58 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.606 -0.684 . . . . 0.0 112.498 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -68.14 126.17 28.67 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.545 0.738 . . . . 0.0 111.49 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.0 129.35 1.16 Allowed Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.132 0.872 . . . . 0.0 112.597 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -59.51 -27.14 65.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 113.344 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.17 -24.23 57.85 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.124 1.528 . . . . 0.0 115.124 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -76.1 140.56 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.143 1.338 . . . . 0.0 111.401 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -137.04 149.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.445 1.098 . . . . 0.0 113.51 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -78.66 146.68 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.881 1.672 . . . . 0.0 112.211 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -155.63 141.15 17.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.457 1.503 . . . . 0.0 112.725 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.42 135.43 47.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.461 1.504 . . . . 0.0 110.592 168.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -78.53 -34.61 47.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.513 1.125 . . . . 0.0 112.57 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -77.75 151.37 79.66 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 123.954 0.901 . . . . 0.0 111.027 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.71 -27.59 85.09 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.749 2.966 . . . . 0.0 113.281 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -127.13 137.48 52.98 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.551 1.54 . . . . 0.0 109.083 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.03 156.25 15.43 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 121.435 0.464 . . . . 0.0 114.096 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.4 m -130.96 -26.5 2.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.796 1.639 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -76.1 35.96 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.425 1.89 . . . . 0.0 113.588 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.4 m -68.54 157.07 36.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.314 1.846 . . . . 0.0 112.768 -169.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -129.22 151.55 49.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.58 78.63 7.3 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.195 0.598 . . . . 0.0 111.65 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -122.09 22.02 10.35 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.587 1.955 . . . . 0.0 112.142 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -145.59 166.81 24.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.074 2.149 . . . . 0.0 112.053 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -121.91 142.67 50.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.905 1.682 . . . . 0.0 110.111 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.9 146.8 25.44 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.713 1.142 . . . . 0.0 112.77 171.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.36 145.29 56.29 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.369 0.668 . . . . 0.0 110.8 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 59.8 32.01 21.09 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.521 2.329 . . . . 0.0 115.521 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 54.1 t -77.33 112.11 13.71 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.665 -1.272 . . . . 0.0 110.302 169.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 p -82.53 31.21 0.41 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.024 1.73 . . . . 0.0 114.205 -173.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -76.76 163.61 26.64 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--O 1.251 1.142 0 C-N-CA 127.026 2.13 . . . . 0.0 112.232 -177.129 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.015 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.25 9.17 61.75 Favored Glycine 0 CA--C 1.536 1.406 0 CA-C-O 118.38 -1.233 . . . . 0.0 115.938 -174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -54.41 146.86 14.91 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.64 1.72 . . . . 0.0 114.172 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.8 mm -79.83 131.76 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.47 1.108 . . . . 0.0 111.273 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.1 162.38 29.52 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.916 1.286 . . . . 0.0 113.386 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -61.43 138.18 58.26 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.463 0.649 . . . . 0.0 112.493 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.3 t30 58.01 18.76 5.37 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.991 2.116 . . . . 0.0 114.982 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -78.95 148.83 32.49 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 119.74 -1.85 . . . . 0.0 111.093 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -68.08 127.62 33.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.023 1.329 . . . . 0.0 110.041 170.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.36 11.47 1.72 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 118.173 2.657 . . . . 0.0 118.173 -165.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -53.43 137.09 36.59 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 120.205 -1.559 . . . . 0.0 112.803 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 p 57.23 5.64 0.29 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 127.199 2.2 . . . . 0.0 116.721 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -65.11 137.76 57.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.907 -1.12 . . . . 0.0 112.933 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -66.27 -28.89 69.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.892 1.677 . . . . 0.0 113.221 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -100.85 148.5 24.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.586 1.954 . . . . 0.0 111.36 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -76.49 160.31 29.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.997 0.903 . . . . 0.0 112.752 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 82.7 m -73.06 144.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.555 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.7 m -60.43 121.6 12.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.468 0.707 . . . . 0.0 110.62 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 -176.35 18.09 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.655 1.121 . . . . 0.0 112.2 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -85.82 -45.59 11.44 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -151.75 53.31 0.82 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.706 1.602 . . . . 0.0 112.685 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.29 148.43 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.239 -0.913 . . . . 0.0 108.636 168.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.91 149.04 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 121.208 -0.932 . . . . 0.0 113.51 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.82 70.19 0.71 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 112.212 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -68.14 137.07 54.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.493 2.317 . . . . 0.0 113.618 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -85.56 115.87 23.52 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.312 0.645 . . . . 0.0 111.261 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -103.8 -12.46 16.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.259 1.824 . . . . 0.0 115.422 -168.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -154.46 135.85 9.02 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 124.349 1.06 . . . . 0.0 110.908 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -59.79 -27.38 84.81 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.918 2.412 . . . . 0.0 114.859 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -66.09 -31.33 72.14 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.743 -0.598 . . . . 0.0 112.309 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.1 153.55 41.75 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.985 1.278 . . . . 0.0 114.28 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.3 p -130.99 168.72 16.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.116 1.766 . . . . 0.0 108.539 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 53.37 71.78 0.48 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.577 1.151 . . . . 0.0 111.841 -170.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.6 m -58.84 159.15 7.22 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.635 1.574 . . . . 0.0 114.055 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -108.21 141.79 39.44 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 -165.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.97 66.46 0.8 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.318 1.047 . . . . 0.0 113.026 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -110.95 4.94 20.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.149 1.38 . . . . 0.0 113.815 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -144.4 144.24 31.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.466 1.107 . . . . 0.0 111.874 -170.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.8 m -73.16 154.54 40.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.62 1.168 . . . . 0.0 111.077 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -55.75 159.72 2.93 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -105.05 -43.73 4.97 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 161.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.19 137.52 52.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.373 1.869 . . . . 0.0 111.698 170.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.2 t -146.93 157.93 43.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.591 1.156 . . . . 0.0 112.046 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 60.83 21.17 11.32 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.288 1.435 . . . . 0.0 113.025 -177.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -113.75 154.93 26.53 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.137 1.775 . . . . 0.0 112.008 173.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.256 1.408 0 C-N-CA 126.325 1.85 . . . . 0.0 112.459 179.733 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.936 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.78 -179.88 46.53 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 126.352 1.93 . . . . 0.0 113.013 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -149.52 149.54 30.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.041 1.336 . . . . 0.0 112.469 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.9 mm -78.79 130.61 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.546 1.138 . . . . 0.0 110.321 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -83.91 171.26 13.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 122.162 0.982 . . . . 0.0 113.603 -172.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -58.25 142.39 47.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.176 0.99 . . . . 0.0 113.133 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 66.68 7.52 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.091 2.156 . . . . 0.0 115.586 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -88.04 158.95 18.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.702 1.201 . . . . 0.0 113.136 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -65.89 135.16 54.41 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.05 1.34 . . . . 0.0 113.883 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.3 t -110.26 -8.82 14.69 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.985 2.114 . . . . 0.0 113.607 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -61.79 -25.92 67.77 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -170.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.4 p -134.93 -11.4 2.28 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -168.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -56.96 142.46 41.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.22 1.008 . . . . 0.0 113.475 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.5 p -86.21 -5.73 59.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.837 1.255 . . . . 0.0 113.69 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.45 146.19 36.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.901 1.28 . . . . 0.0 111.515 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -69.57 160.38 31.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.46 157.41 34.27 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.459 168.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.65 -174.98 0.24 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.367 1.467 . . . . 0.0 113.134 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.56 -124.4 0.02 OUTLIER Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.31 1.434 . . . . 0.0 115.253 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 45.09 32.16 0.85 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.315 1.846 . . . . 0.0 115.144 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.8 t 63.97 15.28 9.07 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 126.598 1.959 . . . . 0.0 115.621 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.08 145.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.226 1.41 . . . . 0.0 113.81 -170.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.33 163.16 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.972 2.509 . . . . 0.0 111.998 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.05 144.77 28.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.862 1.665 . . . . 0.0 112.723 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -143.85 147.14 33.65 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.141 1.376 . . . . 0.0 111.994 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -114.29 133.01 55.96 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.44 1.496 . . . . 0.0 110.688 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -55.14 -33.57 63.01 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -146.71 154.28 47.73 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 126.064 1.746 . . . . 0.0 110.314 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.33 -10.51 27.21 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.458 2.105 . . . . 0.0 114.605 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -100.54 -28.37 12.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.675 1.19 . . . . 0.0 114.19 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.13 135.77 43.09 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 119.089 0.859 . . . . 0.0 113.037 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -84.91 6.66 23.99 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -101.2 129.1 47.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.419 1.488 . . . . 0.0 111.637 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -147.42 133.15 18.92 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.357 1.463 . . . . 0.0 109.693 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.93 150.07 52.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.718 1.207 . . . . 0.0 113.979 -167.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.1 m -78.21 83.2 4.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.183 0.993 . . . . 0.0 110.169 166.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -142.67 26.4 1.75 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.87 2.468 . . . . 0.0 113.339 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -142.91 166.8 23.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.031 1.732 . . . . 0.0 109.926 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.6 p -132.03 148.34 52.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.781 1.232 . . . . 0.0 111.179 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -72.53 160.83 31.65 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.075 -1.016 . . . . 0.0 113.335 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.15 -31.31 72.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.636 1.174 . . . . 0.0 114.161 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -122.87 91.77 3.56 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.978 1.311 . . . . 0.0 111.191 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.0 m -72.74 147.77 45.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.359 0.664 . . . . 0.0 111.69 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.8 m -141.37 138.99 33.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.508 1.123 . . . . 0.0 109.919 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 pm0 -154.03 166.66 32.32 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.479 1.111 . . . . 0.0 112.775 -169.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 124.341 1.056 . . . . 0.0 113.467 172.569 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.821 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.67 152.15 42.67 Favored Glycine 0 CA--C 1.536 1.396 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 -174.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -62.18 155.34 24.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.632 1.173 . . . . 0.0 112.275 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.36 131.35 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.04 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -76.91 160.95 28.79 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.674 -0.641 . . . . 0.0 112.026 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.35 130.56 39.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.996 -1.065 . . . . 0.0 112.789 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 t30 62.08 -5.77 0.16 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 128.033 2.533 . . . . 0.0 117.57 -170.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -73.16 164.14 27.12 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.662 1.573 . . . . 0.0 111.458 169.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -97.61 138.14 35.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -172.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.55 2.47 55.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.482 1.513 . . . . 0.0 113.427 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.49 -23.02 65.6 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -89.52 3.14 53.39 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 t -152.58 154.38 35.28 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -174.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 t -71.62 -22.48 61.7 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.42 167.25 22.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.282 0.946 . . . . 0.0 111.974 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -137.51 -169.43 2.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -166.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 m -69.54 154.84 41.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.767 1.627 . . . . 0.0 111.426 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 m -72.84 123.21 22.93 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.201 -0.937 . . . . 0.0 110.899 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.77 165.46 10.85 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.987 1.28 . . . . 0.0 114.373 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -79.15 -46.53 17.78 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -169.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.79 6.22 5.09 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.762 1.225 . . . . 0.0 113.92 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.45 132.79 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.051 1.74 . . . . 0.0 110.565 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.83 156.6 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 t -117.22 72.15 0.82 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.529 1.132 . . . . 0.0 107.96 169.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.82 132.17 44.9 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.893 2.477 . . . . 0.0 115.726 -166.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.1 126.87 39.59 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.521 1.929 . . . . 0.0 111.34 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.62 -27.2 45.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.331 1.052 . . . . 0.0 113.112 169.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -141.59 81.7 14.85 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 108.324 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.43 -24.07 33.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 124.131 3.221 . . . . 0.0 117.175 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -66.32 -26.01 67.1 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.765 0.826 . . . . 0.0 113.11 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.89 177.19 24.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.438 1.971 . . . . 0.0 114.028 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.9 p -90.94 95.76 10.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.518 1.127 . . . . 0.0 111.729 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -154.84 6.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.46 117.64 7.6 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.897 1.226 . . . . 0.0 111.691 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -140.18 144.61 36.7 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.775 1.63 . . . . 0.0 113.126 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.31 127.89 34.37 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.076 0.95 . . . . 0.0 113.054 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -155.63 168.12 28.18 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.686 1.594 . . . . 0.0 113.087 -167.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -45.62 131.27 8.91 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 128.022 2.529 . . . . 0.0 114.266 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -66.74 149.5 50.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.861 1.664 . . . . 0.0 114.929 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -63.07 138.56 58.59 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.534 1.533 . . . . 0.0 112.706 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 tp -70.12 -27.11 64.3 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.366 1.066 . . . . 0.0 112.881 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.51 15.52 1.63 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 t -123.13 148.33 45.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.349 1.86 . . . . 0.0 110.531 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.6 m -69.02 140.28 54.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.687 1.195 . . . . 0.0 113.294 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -72.97 30.15 0.06 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.953 2.901 . . . . 0.0 115.022 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 C--O 1.257 1.477 0 C-N-CA 125.243 1.417 . . . . 0.0 113.438 -169.183 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.34 145.42 42.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.042 0.829 . . . . 0.0 112.744 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.1 p -154.79 152.2 29.57 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.892 -0.769 . . . . 0.0 111.821 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -86.4 131.87 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.951 1.3 . . . . 0.0 111.009 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.2 162.28 27.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.93 1.292 . . . . 0.0 113.161 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -54.6 133.75 46.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 112.443 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.39 16.01 0.8 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.669 2.388 . . . . 0.0 115.584 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -86.53 148.62 25.43 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.359 -0.838 . . . . 0.0 111.915 169.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -79.78 125.86 30.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.541 1.136 . . . . 0.0 113.408 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m -73.72 16.7 0.19 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.271 1.828 . . . . 0.0 114.638 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -57.85 141.98 47.36 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.757 -1.214 . . . . 0.0 112.55 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 13.6 p 66.96 11.82 8.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.764 2.826 . . . . 0.0 118.232 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -141.95 159.96 41.17 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.887 1.221 . . . . 0.0 113.897 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 p -91.15 13.92 15.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.791 1.236 . . . . 0.0 113.204 169.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.88 153.7 41.71 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.887 -1.133 . . . . 0.0 112.321 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -91.0 163.46 14.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.434 1.494 . . . . 0.0 112.021 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.7 m -65.16 155.71 34.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.227 1.011 . . . . 0.0 111.838 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -71.62 42.26 0.08 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.25 151.69 23.0 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.289 1.423 . . . . 0.0 112.29 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -53.51 -32.39 50.23 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -132.49 -0.07 3.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 113.661 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.03 142.14 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.04 0.936 . . . . 0.0 110.309 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 m -135.34 153.25 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m -72.19 84.37 1.03 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.122 2.169 . . . . 0.0 111.517 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -73.02 115.78 12.75 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.927 -1.108 . . . . 0.0 112.304 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.21 80.97 5.53 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.9 1.28 . . . . 0.0 111.006 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' CE1' ' HG1' ' A' ' 28' ' ' THR . 26.7 p80 -68.36 -31.5 70.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.466 1.106 . . . . 0.0 113.59 -172.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.456 ' HG1' ' CE1' ' A' ' 27' ' ' HIS . 3.2 p -131.96 149.67 73.98 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.421 1.089 . . . . 0.0 112.514 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.97 -8.61 20.26 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.654 2.903 . . . . 0.0 113.736 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -72.24 122.02 20.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.744 1.618 . . . . 0.0 111.039 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.3 -133.69 24.67 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.796 1.188 . . . . 0.0 113.758 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -110.7 57.72 0.62 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.428 1.491 . . . . 0.0 109.732 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -73.43 63.06 0.76 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.45 1.1 . . . . 0.0 112.042 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.7 m -113.38 96.03 5.68 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.45 1.5 . . . . 0.0 110.088 -172.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.39 144.62 26.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.989 1.315 . . . . 0.0 113.405 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -68.49 90.97 0.39 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.904 0.482 . . . . 0.0 111.409 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.88 -10.58 0.78 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -136.64 163.79 29.74 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.174 1.39 . . . . 0.0 111.162 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.1 m -134.47 133.54 40.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.142 0.977 . . . . 0.0 111.704 -168.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.87 136.02 57.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.825 1.25 . . . . 0.0 111.932 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -89.92 -5.5 56.69 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 169.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -134.51 113.31 11.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.833 1.653 . . . . 0.0 110.524 168.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.5 p -162.73 143.19 9.62 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.5 m -66.65 125.83 27.04 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.847 0.859 . . . . 0.0 110.228 172.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -119.91 -16.66 8.64 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.6 t0 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 126.166 1.787 . . . . 0.0 112.757 -172.852 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.28 -162.37 9.42 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.114 1.34 . . . . 0.0 112.944 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.2 p -55.43 152.35 8.88 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.99 1.316 . . . . 0.0 113.691 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.7 mm -63.95 140.11 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.278 1.431 . . . . 0.0 110.83 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.56 161.85 29.34 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.582 1.153 . . . . 0.0 113.453 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -50.52 127.69 18.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.019 1.328 . . . . 0.0 113.307 -171.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.92 16.08 1.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -80.6 169.36 17.75 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 120.265 1.393 . . . . 0.0 114.053 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t -67.06 145.55 55.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.329 1.052 . . . . 0.0 112.811 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -148.98 92.84 2.02 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.51 1.524 . . . . 0.0 110.134 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -149.62 147.29 27.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.882 0.873 . . . . 0.0 112.733 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m 64.84 -44.89 0.33 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.532 2.733 . . . . 0.0 115.077 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -54.09 150.54 8.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.268 1.427 . . . . 0.0 113.421 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 t -72.11 -21.3 61.51 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.235 1.014 . . . . 0.0 112.574 171.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.98 164.67 26.33 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 113.334 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -138.9 174.4 10.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.244 1.418 . . . . 0.0 112.356 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -74.84 150.95 39.07 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.06 0.933 . . . . 0.0 112.382 175.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -67.47 149.9 49.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.308 1.043 . . . . 0.0 112.52 -169.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.79 -156.63 30.3 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.896 1.236 . . . . 0.0 113.126 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -117.35 -37.3 3.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.337 1.855 . . . . 0.0 113.201 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -65.79 -38.86 90.13 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.3 t -81.79 141.53 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.305 1.042 . . . . 0.0 111.307 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.92 141.97 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.85 . . . . 0.0 112.458 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.8 m -69.49 65.22 0.18 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.001 2.12 . . . . 0.0 111.639 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -65.68 122.73 17.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.372 1.469 . . . . 0.0 114.537 -169.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.5 m -87.32 86.64 7.27 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 122.401 1.096 . . . . 0.0 110.641 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -60.52 -26.85 67.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.527 1.931 . . . . 0.0 114.713 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -131.95 135.31 26.43 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 119.335 0.971 . . . . 0.0 111.801 -171.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -55.3 134.2 62.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.697 2.265 . . . . 0.0 112.486 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 59.62 9.77 1.7 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.29 124.32 6.39 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 120.018 -1.676 . . . . 0.0 113.095 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 m -75.67 -21.02 58.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.948 1.299 . . . . 0.0 112.86 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -75.37 29.03 0.1 Allowed 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.7 m -54.34 143.73 22.58 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.614 1.552 . . . . 0.0 111.458 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -145.07 147.53 32.67 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -71.94 58.8 0.35 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.364 1.066 . . . . 0.0 112.711 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -117.17 23.03 12.13 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.313 1.445 . . . . 0.0 114.156 -169.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.1 144.06 27.57 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.183 1.393 . . . . 0.0 111.814 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.6 m -105.28 129.18 53.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.852 1.661 . . . . 0.0 110.645 173.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -70.07 157.63 37.2 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.935 1.294 . . . . 0.0 114.414 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 tp -57.19 -45.68 83.53 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.613 1.165 . . . . 0.0 112.697 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -83.58 21.85 1.16 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.1 t -54.67 -33.46 60.82 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.486 -1.384 . . . . 0.0 113.645 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.1 p -76.52 -0.75 24.21 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.56 138.1 48.56 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.233 1.378 . . . . 0.0 111.625 172.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 . . . . . 0 C--O 1.248 0.99 0 C-N-CA 125.903 1.681 . . . . 0.0 112.512 174.817 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.093 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.28 -111.88 3.42 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.338 0.971 . . . . 0.0 113.885 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.13 169.96 14.66 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.551 1.541 . . . . 0.0 111.444 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.9 126.12 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -75.44 150.79 38.19 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.582 -0.699 . . . . 0.0 111.079 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -56.48 140.08 47.17 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.902 -1.124 . . . . 0.0 111.886 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.9 t30 63.6 4.67 1.89 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -172.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -95.52 158.22 15.55 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.258 -1.526 . . . . 0.0 111.28 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -62.97 140.32 58.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.576 1.151 . . . . 0.0 113.137 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -123.62 13.59 9.37 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.383 2.273 . . . . 0.0 112.4 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -77.12 146.79 36.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.344 1.458 . . . . 0.0 112.294 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m 52.42 43.69 30.67 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.2 1.4 . . . . 0.0 113.315 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t -153.03 147.03 25.43 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.539 -1.351 . . . . 0.0 112.607 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -91.23 -15.68 28.84 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.973 1.309 . . . . 0.0 113.225 -177.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 156.09 26.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.035 -1.041 . . . . 0.0 111.912 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -113.9 174.26 6.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.211 1.404 . . . . 0.0 113.742 -167.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.43 155.97 13.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.264 0.626 . . . . 0.0 111.094 167.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.46 147.61 37.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.954 169.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.15 152.41 22.53 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.44 1.019 . . . . 0.0 114.714 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.1 -39.81 95.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.422 1.889 . . . . 0.0 115.348 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.53 -9.36 22.12 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -172.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 t -82.17 140.25 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.061 1.344 . . . . 0.0 110.698 -172.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.09 158.48 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.997 0.919 . . . . 0.0 113.459 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -89.11 131.32 35.31 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.772 2.029 . . . . 0.0 111.971 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -123.33 144.87 49.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.298 1.039 . . . . 0.0 111.837 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.2 m -120.54 128.88 53.5 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -168.43 166.12 12.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.87 2.468 . . . . 0.0 109.782 168.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m 53.34 80.51 0.29 Allowed Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 125.964 1.706 . . . . 0.0 114.015 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -56.27 -21.55 36.76 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.515 3.477 . . . . 0.0 118.558 -172.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -55.46 118.14 4.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.352 1.061 . . . . 0.0 112.991 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.19 -31.08 0.32 Allowed Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.806 1.669 . . . . 0.0 115.631 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 t -165.73 134.24 3.13 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.824 1.65 . . . . 0.0 111.108 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -73.37 -17.92 61.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 117.117 -1.421 . . . . 0.0 114.429 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 m -151.66 137.55 18.09 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.171 1.35 . . . . 0.0 114.271 -168.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.77 153.09 36.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.476 1.91 . . . . 0.0 111.452 172.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.13 100.94 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -163.37 162.11 24.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.279 1.832 . . . . 0.0 111.536 -167.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 61.29 62.68 1.33 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.389 1.876 . . . . 0.0 113.216 175.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -62.25 162.28 10.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.255 1.422 . . . . 0.0 112.838 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -74.1 109.16 7.37 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.523 1.129 . . . . 0.0 110.475 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.79 -22.51 64.27 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -115.54 7.63 14.94 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.361 1.065 . . . . 0.0 113.761 -174.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.7 t -68.98 -20.56 64.18 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.221 1.408 . . . . 0.0 114.599 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -69.82 115.74 9.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.891 1.277 . . . . 0.0 111.692 171.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.74 -45.6 24.22 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -172.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.3 t0 . . . . . 0 C--O 1.249 1.053 0 C-N-CA 125.721 1.608 . . . . 0.0 113.646 -177.19 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.64 84.91 0.97 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.148 1.356 . . . . 0.0 114.701 -174.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.1 p -159.37 150.11 19.54 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.761 1.624 . . . . 0.0 109.972 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -77.35 127.37 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 118.56 0.618 . . . . 0.0 110.423 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -86.17 158.69 19.7 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -59.05 134.11 56.7 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.211 1.404 . . . . 0.0 112.554 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 56.82 13.42 1.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.035 2.534 . . . . 0.0 115.314 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -82.03 150.64 27.49 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.775 -1.203 . . . . 0.0 111.751 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -61.95 139.35 58.4 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.482 1.113 . . . . 0.0 113.092 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -156.82 57.4 0.54 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 112.191 -171.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.22 -30.8 17.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 175.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -160.29 110.2 1.79 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.775 1.23 . . . . 0.0 110.83 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 t -157.64 -165.57 1.8 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.932 2.093 . . . . 0.0 111.032 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -133.91 20.29 3.81 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 126.574 1.95 . . . . 0.0 113.815 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.73 157.91 44.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.596 1.158 . . . . 0.0 112.731 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -88.9 171.83 9.62 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.702 1.601 . . . . 0.0 113.32 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.0 m -66.76 166.26 13.49 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.5 0.72 . . . . 0.0 111.806 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.9 m -75.16 42.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.921 1.688 . . . . 0.0 114.506 -176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.46 -179.47 47.71 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.244 1.878 . . . . 0.0 112.129 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -84.59 -40.99 16.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.807 1.243 . . . . 0.0 113.788 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.7 -21.62 19.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.497 1.519 . . . . 0.0 112.72 -170.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.62 140.5 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.908 2.083 . . . . 0.0 111.826 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 m -147.77 158.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.4 m -80.64 131.21 35.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.161 0.984 . . . . 0.0 110.776 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -149.06 137.76 21.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.663 1.185 . . . . 0.0 110.631 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.5 m -87.51 99.83 12.32 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -110.58 1.98 18.41 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -168.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.8 m -142.41 87.03 9.59 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.73 1.212 . . . . 0.0 110.461 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -59.11 -8.81 6.88 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.867 3.711 . . . . 0.0 116.987 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -69.53 27.21 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.409 2.283 . . . . 0.0 114.308 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.15 -166.45 31.55 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 126.141 1.829 . . . . 0.0 113.326 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -67.98 -9.69 47.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.495 1.918 . . . . 0.0 113.362 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -48.97 117.35 2.05 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.905 2.482 . . . . 0.0 113.393 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.1 t -152.31 130.9 12.27 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.725 1.61 . . . . 0.0 107.84 170.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -145.94 160.95 41.11 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -166.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -77.17 77.07 3.71 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -147.32 34.05 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 111.822 -168.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -144.43 146.55 32.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.398 2.279 . . . . 0.0 109.952 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -150.93 148.34 28.29 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.383 -0.823 . . . . 0.0 112.852 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -76.46 129.87 37.16 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.796 1.638 . . . . 0.0 110.561 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp -79.81 142.56 35.2 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 49.35 52.98 13.44 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.951 2.1 . . . . 0.0 114.081 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.5 p -75.24 110.76 9.84 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.055 -1.028 . . . . 0.0 111.561 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -124.23 -8.25 7.61 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.75 1.62 . . . . 0.0 113.632 -175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -69.82 172.06 8.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.086 1.355 . . . . 0.0 114.068 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 127.742 2.417 . . . . 0.0 115.061 -169.156 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.877 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.8 117.8 11.82 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-N 118.846 1.323 . . . . 0.0 113.515 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.42 154.3 32.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 113.477 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.2 mm -75.4 131.18 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.452 -0.78 . . . . 0.0 111.27 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -89.2 161.49 16.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.422 1.089 . . . . 0.0 112.181 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -54.83 132.49 46.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.239 1.016 . . . . 0.0 112.793 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 61.14 3.7 0.75 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.863 2.465 . . . . 0.0 115.642 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -76.03 163.13 27.45 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 119.762 -1.836 . . . . 0.0 110.946 168.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -71.1 139.84 50.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.216 1.406 . . . . 0.0 113.048 -176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.69 16.49 4.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.114 1.766 . . . . 0.0 113.031 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.76 -26.38 68.33 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 m -149.13 93.49 2.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.088 1.355 . . . . 0.0 110.358 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -163.93 144.87 8.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.031 1.332 . . . . 0.0 112.344 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 p -76.29 -12.38 60.07 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -113.43 176.25 5.11 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -92.05 164.98 13.41 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -68.51 129.43 39.91 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.986 166.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 135.19 56.38 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.922 1.237 . . . . 0.0 111.485 171.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.62 135.96 4.64 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.205 1.86 . . . . 0.0 111.434 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.02 -29.18 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.728 1.211 . . . . 0.0 113.461 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.82 5.99 5.07 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.685 1.594 . . . . 0.0 113.94 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.2 t -70.64 137.86 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 119.756 1.162 . . . . 0.0 110.619 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.44 149.53 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.749 1.22 . . . . 0.0 112.2 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.28 121.33 22.79 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.563 0.745 . . . . 0.0 110.226 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -112.2 98.56 7.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.008 1.723 . . . . 0.0 110.995 -171.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.5 m -88.56 130.26 35.29 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.04 1.336 . . . . 0.0 111.911 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -158.15 -9.11 0.08 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m 49.89 74.54 0.79 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 125.441 1.496 . . . . 0.0 113.947 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.78 -41.03 1.65 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.329 2.019 . . . . 0.0 113.419 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -144.62 -24.06 0.52 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -170.29 -54.52 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 CA-C-N 119.052 0.842 . . . . 0.0 113.683 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.2 m -73.69 120.48 19.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.169 0.984 . . . . 0.0 110.092 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -70.27 -45.11 67.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -168.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.8 m -144.15 142.07 30.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -139.75 150.16 44.46 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.571 1.549 . . . . 0.0 111.916 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.1 m -75.66 51.52 0.61 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.159 1.384 . . . . 0.0 113.052 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -108.73 31.4 5.67 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.542 1.537 . . . . 0.0 113.202 -169.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -154.02 149.6 27.37 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.357 -1.464 . . . . 0.0 112.687 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.2 m -102.7 146.72 27.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.745 1.218 . . . . 0.0 112.051 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -58.38 140.79 53.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.626 1.97 . . . . 0.0 112.712 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.16 -29.92 70.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.636 1.174 . . . . 0.0 113.799 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.38 123.05 30.73 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.976 1.711 . . . . 0.0 109.187 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 t -134.93 147.28 49.76 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.359 1.064 . . . . 0.0 112.077 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 m -141.82 123.02 14.72 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.678 1.591 . . . . 0.0 109.073 169.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -145.68 -62.38 0.33 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.741 1.216 . . . . 0.0 111.608 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--O 1.254 1.299 0 C-N-CA 125.266 1.426 . . . . 0.0 114.533 -173.266 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.23 6.49 79.42 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.397 1.475 . . . . 0.0 115.865 -176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.33 162.59 36.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.046 1.338 . . . . 0.0 112.724 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.4 mm -78.66 136.15 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.902 0.881 . . . . 0.0 110.606 168.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -62.83 156.75 23.19 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.68 1.592 . . . . 0.0 113.889 173.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -75.98 151.32 37.25 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.258 -0.901 . . . . 0.0 111.833 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 55.86 33.97 22.61 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.389 1.475 . . . . 0.0 112.506 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -143.8 151.45 39.96 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.103 1.761 . . . . 0.0 111.479 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 t -72.5 139.1 47.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -90.47 -1.2 57.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.04 -23.07 61.68 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -76.03 -20.91 57.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -154.95 151.78 28.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.942 1.246 . . . . 0.0 113.564 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.3 m -71.25 -18.89 62.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.015 1.326 . . . . 0.0 113.696 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.3 169.14 14.41 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.62 164.29 20.87 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.091 2.156 . . . . 0.0 115.297 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -74.43 153.85 39.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.203 0.601 . . . . 0.0 110.438 168.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.34 156.14 39.71 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.189 -0.944 . . . . 0.0 109.837 167.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.32 120.44 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.719 1.152 . . . . 0.0 111.646 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -65.34 -22.92 66.87 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.08 2.0 52.92 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.9 137.91 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.972 -1.08 . . . . 0.0 112.857 -169.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.52 145.59 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 125.475 1.51 . . . . 0.0 110.903 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 t -73.12 132.85 43.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.535 -0.728 . . . . 0.0 110.066 170.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -127.82 123.34 34.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.156 1.382 . . . . 0.0 112.45 -169.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.61 119.87 26.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.713 -0.617 . . . . 0.0 110.604 171.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -98.24 -25.05 15.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 0.0 112.201 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -76.86 140.23 66.92 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.67 0.788 . . . . 0.0 111.952 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -65.95 -18.69 57.72 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.045 2.497 . . . . 0.0 114.747 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -129.42 165.04 22.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.009 2.124 . . . . 0.0 110.234 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.48 140.82 0.85 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.918 1.247 . . . . 0.0 114.577 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 p -85.43 15.52 4.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.872 1.269 . . . . 0.0 113.634 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -70.78 58.45 0.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.262 2.225 . . . . 0.0 112.163 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.7 m -78.71 146.76 33.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.826 1.251 . . . . 0.0 110.972 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -117.97 133.07 56.27 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.563 1.945 . . . . 0.0 111.209 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.47 87.55 0.65 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.459 1.027 . . . . 0.0 109.613 170.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.81 14.46 0.93 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.269 1.427 . . . . 0.0 112.908 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -143.43 140.87 30.61 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.463 1.105 . . . . 0.0 112.333 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -109.93 127.27 54.64 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 126.212 1.805 . . . . 0.0 109.606 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -74.61 139.44 43.65 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.036 0.934 . . . . 0.0 110.783 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.35 173.82 6.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.456 1.103 . . . . 0.0 112.756 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 56.73 32.35 21.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.945 1.698 . . . . 0.0 112.482 -170.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.3 t -149.01 110.72 4.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.188 1.395 . . . . 0.0 111.621 -174.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.1 p -98.42 -4.08 35.43 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.502 1.921 . . . . 0.0 114.109 -169.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.31 140.42 58.87 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.184 -0.947 . . . . 0.0 111.933 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.1 p-10 . . . . . 0 C--O 1.247 0.933 0 C-N-CA 125.91 1.684 . . . . 0.0 112.734 174.726 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.02 -120.96 5.75 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 118.436 1.118 . . . . 0.0 113.079 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 p -65.88 162.54 18.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.862 1.265 . . . . 0.0 113.497 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.69 131.46 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.507 1.123 . . . . 0.0 110.651 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -80.22 162.48 24.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.788 1.235 . . . . 0.0 113.106 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -56.17 141.05 42.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.185 0.994 . . . . 0.0 112.441 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . 0.27 7.3 m-80 57.98 10.72 1.23 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -79.25 162.73 25.48 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.972 0.805 . . . . 0.0 111.932 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -68.36 130.86 44.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.668 0.787 . . . . 0.0 112.32 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.4 p -119.4 20.05 12.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.952 1.701 . . . . 0.0 111.634 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 126.14 28.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.609 1.163 . . . . 0.0 111.576 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m 44.39 55.77 5.43 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.291 1.836 . . . . 0.0 113.009 172.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -135.26 146.56 48.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.5 m -84.6 -6.39 59.36 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.113 1.765 . . . . 0.0 112.346 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.05 155.83 22.52 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.564 1.545 . . . . 0.0 112.615 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -118.81 152.23 36.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.914 1.286 . . . . 0.0 113.162 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.7 m -86.51 153.72 21.63 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.234 1.414 . . . . 0.0 113.146 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 m -72.35 133.8 45.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.441 1.097 . . . . 0.0 112.831 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.88 136.7 5.81 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 126.715 2.102 . . . . 0.0 114.091 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -54.92 -39.14 68.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.298 1.439 . . . . 0.0 113.486 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -82.76 -13.03 57.03 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.42 140.88 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 120.14 1.336 . . . . 0.0 111.199 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.41 153.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.208 1.003 . . . . 0.0 112.484 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.25 133.06 41.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.631 0.772 . . . . 0.0 110.499 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -131.49 141.3 49.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.2 1.4 . . . . 0.0 112.188 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 m -115.09 130.58 56.97 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.722 1.209 . . . . 0.0 110.73 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -77.95 -0.35 27.33 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.999 0.92 . . . . 0.0 112.717 169.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -122.24 148.86 53.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.484 1.914 . . . . 0.0 113.635 -167.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.55 -20.68 26.76 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.966 3.111 . . . . 0.0 115.072 -170.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -125.44 14.76 8.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 113.494 -175.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.97 74.74 0.95 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.466 1.031 . . . . 0.0 113.868 173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.8 m -118.7 129.46 55.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.084 1.353 . . . . 0.0 110.586 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 47.69 44.27 17.37 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.9 m -67.77 153.47 43.64 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.595 1.158 . . . . 0.0 113.677 -174.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.71 143.69 50.45 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.521 1.528 . . . . 0.0 113.474 -169.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 m -79.86 81.08 6.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.673 -0.642 . . . . 0.0 109.822 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -136.64 28.5 2.97 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.47 1.908 . . . . 0.0 111.918 -172.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -154.59 163.53 40.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.294 1.438 . . . . 0.0 111.775 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.0 p -131.49 146.17 52.11 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -72.53 134.22 45.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.537 1.935 . . . . 0.0 110.877 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt -67.34 -58.36 4.94 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.415 0.686 . . . . 0.0 111.583 -172.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.84 40.32 1.02 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.77 1.228 . . . . 0.0 113.391 -175.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 p -70.91 7.82 1.07 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.8 p -122.93 1.28 9.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.273 1.429 . . . . 0.0 112.814 169.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.78 131.96 46.02 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.18 0.9 . . . . 0.0 110.22 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 . . . . . 0 C--O 1.256 1.438 0 C-N-CA 125.272 1.429 . . . . 0.0 114.238 -177.479 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.9 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.3 138.7 6.87 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.49 1.043 . . . . 0.0 114.082 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.86 157.79 17.47 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.973 1.309 . . . . 0.0 113.657 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.37 138.79 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.172 1.389 . . . . 0.0 111.435 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -86.73 159.61 19.1 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -51.31 127.76 20.5 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.98 1.312 . . . . 0.0 113.481 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 m120 61.92 6.92 1.84 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.762 2.825 . . . . 0.0 117.07 -170.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -80.28 157.75 26.34 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.007 1.73 . . . . 0.0 112.009 173.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 t -65.28 132.88 50.19 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.016 0.926 . . . . 0.0 111.834 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.1 t -135.71 55.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.674 1.99 . . . . 0.0 109.701 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -121.88 136.88 54.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.046 1.338 . . . . 0.0 112.146 -168.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m 56.96 50.91 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.681 1.193 . . . . 0.0 111.023 174.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 t -145.2 154.07 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.877 1.271 . . . . 0.0 112.022 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.6 p -74.35 -12.91 60.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.646 1.578 . . . . 0.0 113.732 168.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -78.19 166.03 23.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.954 1.701 . . . . 0.0 114.835 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -126.31 168.95 13.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.457 1.903 . . . . 0.0 113.031 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.04 150.99 45.03 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.8 m -65.81 147.78 52.84 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.632 0.773 . . . . 0.0 112.664 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -178.53 34.01 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.196 0.903 . . . . 0.0 112.81 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -109.36 -23.68 11.43 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 113.429 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.7 m -117.88 -6.98 10.98 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.39 139.97 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.453 1.479 . . . . 0.0 110.472 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.4 m -140.87 152.58 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.568 1.147 . . . . 0.0 113.319 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.1 m -74.3 147.48 42.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.835 0.854 . . . . 0.0 111.719 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -153.77 131.01 11.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.352 1.061 . . . . 0.0 112.47 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.56 117.86 30.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.004 1.322 . . . . 0.0 109.836 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -81.94 15.73 2.16 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -148.25 157.13 42.88 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 126.813 2.045 . . . . 0.0 110.01 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.41 -2.78 12.62 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 123.737 2.958 . . . . 0.0 115.922 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -71.5 -30.03 65.49 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.07 32.15 50.08 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.195 0.902 . . . . 0.0 113.539 -174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 -3.41 6.63 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -130.05 20.67 5.38 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -172.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.4 m -61.02 139.49 58.05 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.1 -1.0 . . . . 0.0 113.236 -170.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.16 153.71 39.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.171 1.789 . . . . 0.0 110.775 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.9 m -74.99 70.67 2.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.348 1.059 . . . . 0.0 111.995 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -122.38 17.48 10.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -144.8 143.65 30.75 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 119.944 -1.723 . . . . 0.0 113.859 -170.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -103.35 138.7 39.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.326 1.051 . . . . 0.0 108.574 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -60.75 137.97 58.15 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.898 1.679 . . . . 0.0 111.269 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.7 tp -70.9 -53.36 15.38 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.082 0.553 . . . . 0.0 112.364 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -115.8 118.9 34.31 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.299 1.44 . . . . 0.0 109.504 171.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.3 t -127.74 120.78 28.67 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.09 0.956 . . . . 0.0 111.71 -171.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.3 m -70.71 128.76 37.16 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.612 0.765 . . . . 0.0 111.602 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -88.95 -55.57 3.64 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.261 -0.899 . . . . 0.0 112.954 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 126.523 1.929 . . . . 0.0 113.378 -178.434 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 121.984 0.769 . . . . 0.0 114.697 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -59.33 157.16 11.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.256 1.823 . . . . 0.0 114.788 -174.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.9 mm -74.89 129.66 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.15 0.98 . . . . 0.0 111.362 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -75.54 163.27 27.53 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.272 1.829 . . . . 0.0 113.329 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -63.13 134.45 56.05 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.259 -0.9 . . . . 0.0 112.398 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.9 t30 51.49 27.53 3.89 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.963 2.105 . . . . 0.0 114.124 -173.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -97.27 161.8 13.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.748 1.619 . . . . 0.0 110.08 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -66.23 130.52 43.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.729 0.811 . . . . 0.0 113.116 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 m -65.96 -20.77 66.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.611 1.164 . . . . 0.0 112.793 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.27 38.4 tp60 56.69 5.82 0.24 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 129.978 3.311 . . . . 0.0 117.384 168.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m 60.21 13.07 3.66 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.908 -1.745 . . . . 0.0 113.347 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 t -73.07 156.25 38.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.918 1.687 . . . . 0.0 111.058 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -59.28 -24.94 63.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.087 0.955 . . . . 0.0 112.895 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.71 132.39 48.0 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.789 1.235 . . . . 0.0 113.689 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.21 166.35 18.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.194 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -74.75 154.58 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.606 -0.684 . . . . 0.0 112.498 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -68.14 126.17 28.67 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.545 0.738 . . . . 0.0 111.49 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.0 129.35 1.16 Allowed Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.132 0.872 . . . . 0.0 112.597 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -59.51 -27.14 65.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 113.344 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.17 -24.23 57.85 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.124 1.528 . . . . 0.0 115.124 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -76.1 140.56 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.143 1.338 . . . . 0.0 111.401 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -137.04 149.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.445 1.098 . . . . 0.0 113.51 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -78.66 146.68 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.881 1.672 . . . . 0.0 112.211 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -155.63 141.15 17.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.457 1.503 . . . . 0.0 112.725 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.42 135.43 47.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.461 1.504 . . . . 0.0 110.592 168.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -78.53 -34.61 47.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.513 1.125 . . . . 0.0 112.57 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -77.75 151.37 79.66 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 123.954 0.901 . . . . 0.0 111.027 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.71 -27.59 85.09 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.749 2.966 . . . . 0.0 113.281 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -127.13 137.48 52.98 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.551 1.54 . . . . 0.0 109.083 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.03 156.25 15.43 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 121.435 0.464 . . . . 0.0 114.096 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.4 m -130.96 -26.5 2.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.796 1.639 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -76.1 35.96 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.425 1.89 . . . . 0.0 113.588 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.4 m -68.54 157.07 36.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.314 1.846 . . . . 0.0 112.768 -169.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -129.22 151.55 49.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.58 78.63 7.3 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.195 0.598 . . . . 0.0 111.65 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -122.09 22.02 10.35 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.587 1.955 . . . . 0.0 112.142 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -145.59 166.81 24.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.074 2.149 . . . . 0.0 112.053 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -121.91 142.67 50.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.905 1.682 . . . . 0.0 110.111 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.9 146.8 25.44 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.713 1.142 . . . . 0.0 112.77 171.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.238 0.468 0 C-N-CA 123.369 0.668 . . . . 0.0 110.8 -177.801 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.406 0 CA-C-O 118.38 -1.233 . . . . 0.0 115.938 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -54.41 146.86 14.91 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.64 1.72 . . . . 0.0 114.172 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.8 mm -79.83 131.76 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.47 1.108 . . . . 0.0 111.273 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.1 162.38 29.52 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.916 1.286 . . . . 0.0 113.386 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -61.43 138.18 58.26 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.463 0.649 . . . . 0.0 112.493 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.3 t30 58.01 18.76 5.37 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.991 2.116 . . . . 0.0 114.982 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -78.95 148.83 32.49 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 119.74 -1.85 . . . . 0.0 111.093 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -68.08 127.62 33.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.023 1.329 . . . . 0.0 110.041 170.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.36 11.47 1.72 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 118.173 2.657 . . . . 0.0 118.173 -165.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -53.43 137.09 36.59 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 120.205 -1.559 . . . . 0.0 112.803 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 p 57.23 5.64 0.29 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 127.199 2.2 . . . . 0.0 116.721 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -65.11 137.76 57.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.907 -1.12 . . . . 0.0 112.933 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -66.27 -28.89 69.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.892 1.677 . . . . 0.0 113.221 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -100.85 148.5 24.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.586 1.954 . . . . 0.0 111.36 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -76.49 160.31 29.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.997 0.903 . . . . 0.0 112.752 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 82.7 m -73.06 144.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.555 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.7 m -60.43 121.6 12.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.468 0.707 . . . . 0.0 110.62 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 -176.35 18.09 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.655 1.121 . . . . 0.0 112.2 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -85.82 -45.59 11.44 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -151.75 53.31 0.82 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.706 1.602 . . . . 0.0 112.685 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.29 148.43 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.239 -0.913 . . . . 0.0 108.636 168.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.91 149.04 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 121.208 -0.932 . . . . 0.0 113.51 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.82 70.19 0.71 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 112.212 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -68.14 137.07 54.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.493 2.317 . . . . 0.0 113.618 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -85.56 115.87 23.52 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.312 0.645 . . . . 0.0 111.261 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -103.8 -12.46 16.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.259 1.824 . . . . 0.0 115.422 -168.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -154.46 135.85 9.02 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 124.349 1.06 . . . . 0.0 110.908 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -59.79 -27.38 84.81 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.918 2.412 . . . . 0.0 114.859 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -66.09 -31.33 72.14 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.743 -0.598 . . . . 0.0 112.309 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.1 153.55 41.75 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.985 1.278 . . . . 0.0 114.28 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.3 p -130.99 168.72 16.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.116 1.766 . . . . 0.0 108.539 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 53.37 71.78 0.48 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.577 1.151 . . . . 0.0 111.841 -170.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.6 m -58.84 159.15 7.22 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.635 1.574 . . . . 0.0 114.055 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -108.21 141.79 39.44 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 -165.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.97 66.46 0.8 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.318 1.047 . . . . 0.0 113.026 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -110.95 4.94 20.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.149 1.38 . . . . 0.0 113.815 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -144.4 144.24 31.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.466 1.107 . . . . 0.0 111.874 -170.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.8 m -73.16 154.54 40.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.62 1.168 . . . . 0.0 111.077 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -55.75 159.72 2.93 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 161.737 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.579 0 N-CA-C 113.013 -0.035 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -149.52 149.54 30.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.041 1.336 . . . . 0.0 112.469 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.9 mm -78.79 130.61 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.546 1.138 . . . . 0.0 110.321 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -83.91 171.26 13.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 122.162 0.982 . . . . 0.0 113.603 -172.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -58.25 142.39 47.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.176 0.99 . . . . 0.0 113.133 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 66.68 7.52 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.091 2.156 . . . . 0.0 115.586 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -88.04 158.95 18.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.702 1.201 . . . . 0.0 113.136 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -65.89 135.16 54.41 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.05 1.34 . . . . 0.0 113.883 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.3 t -110.26 -8.82 14.69 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.985 2.114 . . . . 0.0 113.607 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -61.79 -25.92 67.77 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -170.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.4 p -134.93 -11.4 2.28 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -168.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -56.96 142.46 41.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.22 1.008 . . . . 0.0 113.475 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.5 p -86.21 -5.73 59.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.837 1.255 . . . . 0.0 113.69 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.45 146.19 36.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.901 1.28 . . . . 0.0 111.515 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -69.57 160.38 31.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.46 157.41 34.27 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.459 168.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.65 -174.98 0.24 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.367 1.467 . . . . 0.0 113.134 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.56 -124.4 0.02 OUTLIER Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.31 1.434 . . . . 0.0 115.253 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 45.09 32.16 0.85 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.315 1.846 . . . . 0.0 115.144 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.8 t 63.97 15.28 9.07 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 126.598 1.959 . . . . 0.0 115.621 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.08 145.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.226 1.41 . . . . 0.0 113.81 -170.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.33 163.16 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.972 2.509 . . . . 0.0 111.998 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.05 144.77 28.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.862 1.665 . . . . 0.0 112.723 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -143.85 147.14 33.65 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.141 1.376 . . . . 0.0 111.994 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -114.29 133.01 55.96 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.44 1.496 . . . . 0.0 110.688 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -55.14 -33.57 63.01 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -146.71 154.28 47.73 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 126.064 1.746 . . . . 0.0 110.314 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.33 -10.51 27.21 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.458 2.105 . . . . 0.0 114.605 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -100.54 -28.37 12.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.675 1.19 . . . . 0.0 114.19 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.13 135.77 43.09 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 119.089 0.859 . . . . 0.0 113.037 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -84.91 6.66 23.99 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -101.2 129.1 47.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.419 1.488 . . . . 0.0 111.637 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -147.42 133.15 18.92 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.357 1.463 . . . . 0.0 109.693 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.93 150.07 52.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.718 1.207 . . . . 0.0 113.979 -167.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.1 m -78.21 83.2 4.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.183 0.993 . . . . 0.0 110.169 166.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -142.67 26.4 1.75 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.87 2.468 . . . . 0.0 113.339 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -142.91 166.8 23.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.031 1.732 . . . . 0.0 109.926 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.6 p -132.03 148.34 52.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.781 1.232 . . . . 0.0 111.179 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -72.53 160.83 31.65 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.075 -1.016 . . . . 0.0 113.335 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 N--CA 1.477 0.921 0 C-N-CA 124.636 1.174 . . . . 0.0 114.161 -172.738 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.396 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -62.18 155.34 24.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.632 1.173 . . . . 0.0 112.275 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.36 131.35 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.04 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -76.91 160.95 28.79 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.674 -0.641 . . . . 0.0 112.026 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.35 130.56 39.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.996 -1.065 . . . . 0.0 112.789 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 t30 62.08 -5.77 0.16 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 128.033 2.533 . . . . 0.0 117.57 -170.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -73.16 164.14 27.12 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.662 1.573 . . . . 0.0 111.458 169.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -97.61 138.14 35.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -172.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.55 2.47 55.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.482 1.513 . . . . 0.0 113.427 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.49 -23.02 65.6 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -89.52 3.14 53.39 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 t -152.58 154.38 35.28 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -174.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 t -71.62 -22.48 61.7 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.42 167.25 22.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.282 0.946 . . . . 0.0 111.974 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -137.51 -169.43 2.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -166.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 m -69.54 154.84 41.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.767 1.627 . . . . 0.0 111.426 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 m -72.84 123.21 22.93 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.201 -0.937 . . . . 0.0 110.899 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.77 165.46 10.85 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.987 1.28 . . . . 0.0 114.373 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -79.15 -46.53 17.78 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -169.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.79 6.22 5.09 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.762 1.225 . . . . 0.0 113.92 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.45 132.79 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.051 1.74 . . . . 0.0 110.565 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.83 156.6 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 t -117.22 72.15 0.82 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.529 1.132 . . . . 0.0 107.96 169.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.82 132.17 44.9 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.893 2.477 . . . . 0.0 115.726 -166.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.1 126.87 39.59 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.521 1.929 . . . . 0.0 111.34 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.62 -27.2 45.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.331 1.052 . . . . 0.0 113.112 169.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -141.59 81.7 14.85 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 108.324 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.43 -24.07 33.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 124.131 3.221 . . . . 0.0 117.175 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -66.32 -26.01 67.1 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.765 0.826 . . . . 0.0 113.11 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.89 177.19 24.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.438 1.971 . . . . 0.0 114.028 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.9 p -90.94 95.76 10.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.518 1.127 . . . . 0.0 111.729 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -154.84 6.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.46 117.64 7.6 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.897 1.226 . . . . 0.0 111.691 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -140.18 144.61 36.7 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.775 1.63 . . . . 0.0 113.126 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.31 127.89 34.37 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.076 0.95 . . . . 0.0 113.054 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -155.63 168.12 28.18 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.686 1.594 . . . . 0.0 113.087 -167.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -45.62 131.27 8.91 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 128.022 2.529 . . . . 0.0 114.266 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -66.74 149.5 50.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.861 1.664 . . . . 0.0 114.929 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -63.07 138.56 58.59 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.534 1.533 . . . . 0.0 112.706 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 tp . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.366 1.066 . . . . 0.0 112.881 176.295 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 112.744 -0.143 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.1 p -154.79 152.2 29.57 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.892 -0.769 . . . . 0.0 111.821 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -86.4 131.87 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.951 1.3 . . . . 0.0 111.009 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.2 162.28 27.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.93 1.292 . . . . 0.0 113.161 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -54.6 133.75 46.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 112.443 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.39 16.01 0.8 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.669 2.388 . . . . 0.0 115.584 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -86.53 148.62 25.43 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.359 -0.838 . . . . 0.0 111.915 169.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -79.78 125.86 30.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.541 1.136 . . . . 0.0 113.408 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m -73.72 16.7 0.19 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.271 1.828 . . . . 0.0 114.638 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -57.85 141.98 47.36 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.757 -1.214 . . . . 0.0 112.55 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 13.6 p 66.96 11.82 8.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.764 2.826 . . . . 0.0 118.232 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -141.95 159.96 41.17 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.887 1.221 . . . . 0.0 113.897 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 p -91.15 13.92 15.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.791 1.236 . . . . 0.0 113.204 169.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.88 153.7 41.71 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.887 -1.133 . . . . 0.0 112.321 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -91.0 163.46 14.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.434 1.494 . . . . 0.0 112.021 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.7 m -65.16 155.71 34.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.227 1.011 . . . . 0.0 111.838 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -71.62 42.26 0.08 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.25 151.69 23.0 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.289 1.423 . . . . 0.0 112.29 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -53.51 -32.39 50.23 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -132.49 -0.07 3.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 113.661 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.03 142.14 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.04 0.936 . . . . 0.0 110.309 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 m -135.34 153.25 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m -72.19 84.37 1.03 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.122 2.169 . . . . 0.0 111.517 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -73.02 115.78 12.75 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.927 -1.108 . . . . 0.0 112.304 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.21 80.97 5.53 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.9 1.28 . . . . 0.0 111.006 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -68.36 -31.5 70.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.466 1.106 . . . . 0.0 113.59 -172.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -131.96 149.67 73.98 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.421 1.089 . . . . 0.0 112.514 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.97 -8.61 20.26 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.654 2.903 . . . . 0.0 113.736 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -72.24 122.02 20.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.744 1.618 . . . . 0.0 111.039 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.3 -133.69 24.67 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.796 1.188 . . . . 0.0 113.758 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -110.7 57.72 0.62 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.428 1.491 . . . . 0.0 109.732 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -73.43 63.06 0.76 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.45 1.1 . . . . 0.0 112.042 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.7 m -113.38 96.03 5.68 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.45 1.5 . . . . 0.0 110.088 -172.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.39 144.62 26.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.989 1.315 . . . . 0.0 113.405 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -68.49 90.97 0.39 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.904 0.482 . . . . 0.0 111.409 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.88 -10.58 0.78 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -136.64 163.79 29.74 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.174 1.39 . . . . 0.0 111.162 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.1 m -134.47 133.54 40.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.142 0.977 . . . . 0.0 111.704 -168.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.87 136.02 57.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.825 1.25 . . . . 0.0 111.932 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 169.73 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.334 0 CA-C-O 120.136 -0.258 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.2 p -55.43 152.35 8.88 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.99 1.316 . . . . 0.0 113.691 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.7 mm -63.95 140.11 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.278 1.431 . . . . 0.0 110.83 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.56 161.85 29.34 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.582 1.153 . . . . 0.0 113.453 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -50.52 127.69 18.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.019 1.328 . . . . 0.0 113.307 -171.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.92 16.08 1.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -80.6 169.36 17.75 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 120.265 1.393 . . . . 0.0 114.053 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t -67.06 145.55 55.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.329 1.052 . . . . 0.0 112.811 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -148.98 92.84 2.02 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.51 1.524 . . . . 0.0 110.134 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -149.62 147.29 27.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.882 0.873 . . . . 0.0 112.733 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m 64.84 -44.89 0.33 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.532 2.733 . . . . 0.0 115.077 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -54.09 150.54 8.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.268 1.427 . . . . 0.0 113.421 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 t -72.11 -21.3 61.51 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.235 1.014 . . . . 0.0 112.574 171.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.98 164.67 26.33 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 113.334 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -138.9 174.4 10.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.244 1.418 . . . . 0.0 112.356 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -74.84 150.95 39.07 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.06 0.933 . . . . 0.0 112.382 175.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -67.47 149.9 49.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.308 1.043 . . . . 0.0 112.52 -169.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.79 -156.63 30.3 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.896 1.236 . . . . 0.0 113.126 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -117.35 -37.3 3.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.337 1.855 . . . . 0.0 113.201 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -65.79 -38.86 90.13 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.3 t -81.79 141.53 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.305 1.042 . . . . 0.0 111.307 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.92 141.97 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.85 . . . . 0.0 112.458 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.8 m -69.49 65.22 0.18 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.001 2.12 . . . . 0.0 111.639 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -65.68 122.73 17.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.372 1.469 . . . . 0.0 114.537 -169.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.5 m -87.32 86.64 7.27 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 122.401 1.096 . . . . 0.0 110.641 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -60.52 -26.85 67.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.527 1.931 . . . . 0.0 114.713 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -131.95 135.31 26.43 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 119.335 0.971 . . . . 0.0 111.801 -171.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -55.3 134.2 62.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.697 2.265 . . . . 0.0 112.486 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 59.62 9.77 1.7 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.29 124.32 6.39 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 120.018 -1.676 . . . . 0.0 113.095 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 m -75.67 -21.02 58.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.948 1.299 . . . . 0.0 112.86 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -75.37 29.03 0.1 Allowed 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.7 m -54.34 143.73 22.58 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.614 1.552 . . . . 0.0 111.458 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -145.07 147.53 32.67 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -71.94 58.8 0.35 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.364 1.066 . . . . 0.0 112.711 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -117.17 23.03 12.13 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.313 1.445 . . . . 0.0 114.156 -169.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.1 144.06 27.57 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.183 1.393 . . . . 0.0 111.814 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.6 m -105.28 129.18 53.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.852 1.661 . . . . 0.0 110.645 173.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -70.07 157.63 37.2 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.935 1.294 . . . . 0.0 114.414 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 tp . . . . . 0 CA--C 1.54 0.566 0 C-N-CA 124.613 1.165 . . . . 0.0 112.697 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.265 0 N-CA-C 113.885 0.314 . . . . 0.0 113.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.13 169.96 14.66 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.551 1.541 . . . . 0.0 111.444 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.9 126.12 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -75.44 150.79 38.19 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.582 -0.699 . . . . 0.0 111.079 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -56.48 140.08 47.17 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.902 -1.124 . . . . 0.0 111.886 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.9 t30 63.6 4.67 1.89 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -172.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -95.52 158.22 15.55 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.258 -1.526 . . . . 0.0 111.28 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -62.97 140.32 58.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.576 1.151 . . . . 0.0 113.137 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -123.62 13.59 9.37 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.383 2.273 . . . . 0.0 112.4 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -77.12 146.79 36.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.344 1.458 . . . . 0.0 112.294 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m 52.42 43.69 30.67 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.2 1.4 . . . . 0.0 113.315 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t -153.03 147.03 25.43 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.539 -1.351 . . . . 0.0 112.607 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -91.23 -15.68 28.84 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.973 1.309 . . . . 0.0 113.225 -177.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 156.09 26.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.035 -1.041 . . . . 0.0 111.912 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -113.9 174.26 6.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.211 1.404 . . . . 0.0 113.742 -167.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.43 155.97 13.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.264 0.626 . . . . 0.0 111.094 167.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.46 147.61 37.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.954 169.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.15 152.41 22.53 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.44 1.019 . . . . 0.0 114.714 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.1 -39.81 95.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.422 1.889 . . . . 0.0 115.348 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.53 -9.36 22.12 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -172.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 t -82.17 140.25 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.061 1.344 . . . . 0.0 110.698 -172.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.09 158.48 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.997 0.919 . . . . 0.0 113.459 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -89.11 131.32 35.31 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.772 2.029 . . . . 0.0 111.971 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -123.33 144.87 49.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.298 1.039 . . . . 0.0 111.837 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.2 m -120.54 128.88 53.5 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -168.43 166.12 12.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.87 2.468 . . . . 0.0 109.782 168.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m 53.34 80.51 0.29 Allowed Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 125.964 1.706 . . . . 0.0 114.015 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -56.27 -21.55 36.76 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.515 3.477 . . . . 0.0 118.558 -172.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -55.46 118.14 4.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.352 1.061 . . . . 0.0 112.991 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.19 -31.08 0.32 Allowed Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.806 1.669 . . . . 0.0 115.631 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 t -165.73 134.24 3.13 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.824 1.65 . . . . 0.0 111.108 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -73.37 -17.92 61.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 117.117 -1.421 . . . . 0.0 114.429 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 m -151.66 137.55 18.09 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.171 1.35 . . . . 0.0 114.271 -168.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.77 153.09 36.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.476 1.91 . . . . 0.0 111.452 172.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.13 100.94 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -163.37 162.11 24.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.279 1.832 . . . . 0.0 111.536 -167.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 61.29 62.68 1.33 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.389 1.876 . . . . 0.0 113.216 175.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -62.25 162.28 10.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.255 1.422 . . . . 0.0 112.838 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -74.1 109.16 7.37 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.523 1.129 . . . . 0.0 110.475 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -171.554 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.334 0 N-CA-C 114.701 0.64 . . . . 0.0 114.701 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.1 p -159.37 150.11 19.54 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.761 1.624 . . . . 0.0 109.972 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -77.35 127.37 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 118.56 0.618 . . . . 0.0 110.423 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -86.17 158.69 19.7 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -59.05 134.11 56.7 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.211 1.404 . . . . 0.0 112.554 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 56.82 13.42 1.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.035 2.534 . . . . 0.0 115.314 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -82.03 150.64 27.49 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.775 -1.203 . . . . 0.0 111.751 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -61.95 139.35 58.4 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.482 1.113 . . . . 0.0 113.092 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -156.82 57.4 0.54 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 112.191 -171.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.22 -30.8 17.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 175.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -160.29 110.2 1.79 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.775 1.23 . . . . 0.0 110.83 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 t -157.64 -165.57 1.8 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.932 2.093 . . . . 0.0 111.032 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -133.91 20.29 3.81 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 126.574 1.95 . . . . 0.0 113.815 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.73 157.91 44.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.596 1.158 . . . . 0.0 112.731 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -88.9 171.83 9.62 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.702 1.601 . . . . 0.0 113.32 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.0 m -66.76 166.26 13.49 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.5 0.72 . . . . 0.0 111.806 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.9 m -75.16 42.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.921 1.688 . . . . 0.0 114.506 -176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.46 -179.47 47.71 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.244 1.878 . . . . 0.0 112.129 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -84.59 -40.99 16.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.807 1.243 . . . . 0.0 113.788 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.7 -21.62 19.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.497 1.519 . . . . 0.0 112.72 -170.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.62 140.5 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.908 2.083 . . . . 0.0 111.826 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 m -147.77 158.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.4 m -80.64 131.21 35.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.161 0.984 . . . . 0.0 110.776 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -149.06 137.76 21.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.663 1.185 . . . . 0.0 110.631 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.5 m -87.51 99.83 12.32 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -110.58 1.98 18.41 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -168.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.8 m -142.41 87.03 9.59 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.73 1.212 . . . . 0.0 110.461 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -59.11 -8.81 6.88 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.867 3.711 . . . . 0.0 116.987 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -69.53 27.21 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.409 2.283 . . . . 0.0 114.308 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.15 -166.45 31.55 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 126.141 1.829 . . . . 0.0 113.326 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -67.98 -9.69 47.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.495 1.918 . . . . 0.0 113.362 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -48.97 117.35 2.05 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.905 2.482 . . . . 0.0 113.393 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.1 t -152.31 130.9 12.27 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.725 1.61 . . . . 0.0 107.84 170.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -145.94 160.95 41.11 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -166.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -77.17 77.07 3.71 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -147.32 34.05 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 111.822 -168.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -144.43 146.55 32.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.398 2.279 . . . . 0.0 109.952 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -150.93 148.34 28.29 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.383 -0.823 . . . . 0.0 112.852 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -76.46 129.87 37.16 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.796 1.638 . . . . 0.0 110.561 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.546 0.806 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.836 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.249 0 CA-C-O 120.036 -0.313 . . . . 0.0 113.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.42 154.3 32.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 113.477 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.2 mm -75.4 131.18 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.452 -0.78 . . . . 0.0 111.27 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -89.2 161.49 16.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.422 1.089 . . . . 0.0 112.181 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -54.83 132.49 46.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.239 1.016 . . . . 0.0 112.793 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 61.14 3.7 0.75 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.863 2.465 . . . . 0.0 115.642 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -76.03 163.13 27.45 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 119.762 -1.836 . . . . 0.0 110.946 168.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -71.1 139.84 50.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.216 1.406 . . . . 0.0 113.048 -176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.69 16.49 4.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.114 1.766 . . . . 0.0 113.031 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.76 -26.38 68.33 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 m -149.13 93.49 2.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.088 1.355 . . . . 0.0 110.358 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -163.93 144.87 8.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.031 1.332 . . . . 0.0 112.344 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 p -76.29 -12.38 60.07 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -113.43 176.25 5.11 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -92.05 164.98 13.41 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -68.51 129.43 39.91 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.986 166.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 135.19 56.38 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.922 1.237 . . . . 0.0 111.485 171.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.62 135.96 4.64 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.205 1.86 . . . . 0.0 111.434 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.02 -29.18 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.728 1.211 . . . . 0.0 113.461 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.82 5.99 5.07 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.685 1.594 . . . . 0.0 113.94 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.2 t -70.64 137.86 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 119.756 1.162 . . . . 0.0 110.619 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.44 149.53 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.749 1.22 . . . . 0.0 112.2 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.28 121.33 22.79 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.563 0.745 . . . . 0.0 110.226 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -112.2 98.56 7.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.008 1.723 . . . . 0.0 110.995 -171.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.5 m -88.56 130.26 35.29 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.04 1.336 . . . . 0.0 111.911 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -158.15 -9.11 0.08 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m 49.89 74.54 0.79 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 125.441 1.496 . . . . 0.0 113.947 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.78 -41.03 1.65 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.329 2.019 . . . . 0.0 113.419 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -144.62 -24.06 0.52 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -170.29 -54.52 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 CA-C-N 119.052 0.842 . . . . 0.0 113.683 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.2 m -73.69 120.48 19.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.169 0.984 . . . . 0.0 110.092 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -70.27 -45.11 67.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -168.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.8 m -144.15 142.07 30.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -139.75 150.16 44.46 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.571 1.549 . . . . 0.0 111.916 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.1 m -75.66 51.52 0.61 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.159 1.384 . . . . 0.0 113.052 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -108.73 31.4 5.67 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.542 1.537 . . . . 0.0 113.202 -169.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -154.02 149.6 27.37 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.357 -1.464 . . . . 0.0 112.687 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.2 m -102.7 146.72 27.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.745 1.218 . . . . 0.0 112.051 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -58.38 140.79 53.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.626 1.97 . . . . 0.0 112.712 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 124.636 1.174 . . . . 0.0 113.799 -178.471 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.481 0 N-CA-C 115.865 1.106 . . . . 0.0 115.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.33 162.59 36.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.046 1.338 . . . . 0.0 112.724 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.4 mm -78.66 136.15 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.902 0.881 . . . . 0.0 110.606 168.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -62.83 156.75 23.19 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.68 1.592 . . . . 0.0 113.889 173.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -75.98 151.32 37.25 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.258 -0.901 . . . . 0.0 111.833 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 55.86 33.97 22.61 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.389 1.475 . . . . 0.0 112.506 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -143.8 151.45 39.96 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.103 1.761 . . . . 0.0 111.479 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 t -72.5 139.1 47.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -90.47 -1.2 57.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.04 -23.07 61.68 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -76.03 -20.91 57.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -154.95 151.78 28.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.942 1.246 . . . . 0.0 113.564 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.3 m -71.25 -18.89 62.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.015 1.326 . . . . 0.0 113.696 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.3 169.14 14.41 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.62 164.29 20.87 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.091 2.156 . . . . 0.0 115.297 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -74.43 153.85 39.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.203 0.601 . . . . 0.0 110.438 168.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.34 156.14 39.71 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.189 -0.944 . . . . 0.0 109.837 167.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.32 120.44 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.719 1.152 . . . . 0.0 111.646 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -65.34 -22.92 66.87 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.08 2.0 52.92 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.9 137.91 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.972 -1.08 . . . . 0.0 112.857 -169.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.52 145.59 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 125.475 1.51 . . . . 0.0 110.903 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 t -73.12 132.85 43.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.535 -0.728 . . . . 0.0 110.066 170.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -127.82 123.34 34.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.156 1.382 . . . . 0.0 112.45 -169.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.61 119.87 26.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.713 -0.617 . . . . 0.0 110.604 171.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -98.24 -25.05 15.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 0.0 112.201 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -76.86 140.23 66.92 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.67 0.788 . . . . 0.0 111.952 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -65.95 -18.69 57.72 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.045 2.497 . . . . 0.0 114.747 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -129.42 165.04 22.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.009 2.124 . . . . 0.0 110.234 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.48 140.82 0.85 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.918 1.247 . . . . 0.0 114.577 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 p -85.43 15.52 4.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.872 1.269 . . . . 0.0 113.634 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -70.78 58.45 0.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.262 2.225 . . . . 0.0 112.163 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.7 m -78.71 146.76 33.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.826 1.251 . . . . 0.0 110.972 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -117.97 133.07 56.27 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.563 1.945 . . . . 0.0 111.209 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.47 87.55 0.65 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.459 1.027 . . . . 0.0 109.613 170.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.81 14.46 0.93 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.269 1.427 . . . . 0.0 112.908 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -143.43 140.87 30.61 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.463 1.105 . . . . 0.0 112.333 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -109.93 127.27 54.64 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 126.212 1.805 . . . . 0.0 109.606 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -74.61 139.44 43.65 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.036 0.934 . . . . 0.0 110.783 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 124.456 1.103 . . . . 0.0 112.756 176.148 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 CA-C-O 119.956 -0.358 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 p -65.88 162.54 18.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.862 1.265 . . . . 0.0 113.497 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.69 131.46 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.507 1.123 . . . . 0.0 110.651 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -80.22 162.48 24.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.788 1.235 . . . . 0.0 113.106 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -56.17 141.05 42.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.185 0.994 . . . . 0.0 112.441 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . 0.27 7.3 m-80 57.98 10.72 1.23 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -79.25 162.73 25.48 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.972 0.805 . . . . 0.0 111.932 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -68.36 130.86 44.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.668 0.787 . . . . 0.0 112.32 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.4 p -119.4 20.05 12.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.952 1.701 . . . . 0.0 111.634 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 126.14 28.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.609 1.163 . . . . 0.0 111.576 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m 44.39 55.77 5.43 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.291 1.836 . . . . 0.0 113.009 172.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -135.26 146.56 48.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.5 m -84.6 -6.39 59.36 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.113 1.765 . . . . 0.0 112.346 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.05 155.83 22.52 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.564 1.545 . . . . 0.0 112.615 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -118.81 152.23 36.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.914 1.286 . . . . 0.0 113.162 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.7 m -86.51 153.72 21.63 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.234 1.414 . . . . 0.0 113.146 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 m -72.35 133.8 45.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.441 1.097 . . . . 0.0 112.831 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.88 136.7 5.81 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 126.715 2.102 . . . . 0.0 114.091 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -54.92 -39.14 68.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.298 1.439 . . . . 0.0 113.486 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -82.76 -13.03 57.03 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.42 140.88 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 120.14 1.336 . . . . 0.0 111.199 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.41 153.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.208 1.003 . . . . 0.0 112.484 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.25 133.06 41.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.631 0.772 . . . . 0.0 110.499 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -131.49 141.3 49.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.2 1.4 . . . . 0.0 112.188 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 m -115.09 130.58 56.97 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.722 1.209 . . . . 0.0 110.73 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -77.95 -0.35 27.33 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.999 0.92 . . . . 0.0 112.717 169.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -122.24 148.86 53.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.484 1.914 . . . . 0.0 113.635 -167.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.55 -20.68 26.76 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.966 3.111 . . . . 0.0 115.072 -170.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -125.44 14.76 8.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 113.494 -175.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.97 74.74 0.95 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.466 1.031 . . . . 0.0 113.868 173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.8 m -118.7 129.46 55.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.084 1.353 . . . . 0.0 110.586 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 47.69 44.27 17.37 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.9 m -67.77 153.47 43.64 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.595 1.158 . . . . 0.0 113.677 -174.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.71 143.69 50.45 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.521 1.528 . . . . 0.0 113.474 -169.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 m -79.86 81.08 6.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.673 -0.642 . . . . 0.0 109.822 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -136.64 28.5 2.97 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.47 1.908 . . . . 0.0 111.918 -172.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -154.59 163.53 40.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.294 1.438 . . . . 0.0 111.775 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.0 p -131.49 146.17 52.11 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -72.53 134.22 45.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.537 1.935 . . . . 0.0 110.877 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 123.415 0.686 . . . . 0.0 111.583 -172.251 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.167 0 CA-C-O 121.335 0.408 . . . . 0.0 114.082 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.86 157.79 17.47 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.973 1.309 . . . . 0.0 113.657 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.37 138.79 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.172 1.389 . . . . 0.0 111.435 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -86.73 159.61 19.1 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -51.31 127.76 20.5 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.98 1.312 . . . . 0.0 113.481 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 m120 61.92 6.92 1.84 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.762 2.825 . . . . 0.0 117.07 -170.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -80.28 157.75 26.34 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.007 1.73 . . . . 0.0 112.009 173.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 t -65.28 132.88 50.19 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.016 0.926 . . . . 0.0 111.834 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.1 t -135.71 55.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.674 1.99 . . . . 0.0 109.701 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -121.88 136.88 54.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.046 1.338 . . . . 0.0 112.146 -168.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m 56.96 50.91 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.681 1.193 . . . . 0.0 111.023 174.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 t -145.2 154.07 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.877 1.271 . . . . 0.0 112.022 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.6 p -74.35 -12.91 60.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.646 1.578 . . . . 0.0 113.732 168.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -78.19 166.03 23.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.954 1.701 . . . . 0.0 114.835 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -126.31 168.95 13.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.457 1.903 . . . . 0.0 113.031 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.04 150.99 45.03 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.8 m -65.81 147.78 52.84 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.632 0.773 . . . . 0.0 112.664 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -178.53 34.01 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.196 0.903 . . . . 0.0 112.81 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -109.36 -23.68 11.43 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 113.429 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.7 m -117.88 -6.98 10.98 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.39 139.97 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.453 1.479 . . . . 0.0 110.472 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.4 m -140.87 152.58 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.568 1.147 . . . . 0.0 113.319 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.1 m -74.3 147.48 42.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.835 0.854 . . . . 0.0 111.719 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -153.77 131.01 11.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.352 1.061 . . . . 0.0 112.47 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.56 117.86 30.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.004 1.322 . . . . 0.0 109.836 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -81.94 15.73 2.16 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -148.25 157.13 42.88 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 126.813 2.045 . . . . 0.0 110.01 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.41 -2.78 12.62 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 123.737 2.958 . . . . 0.0 115.922 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -71.5 -30.03 65.49 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.07 32.15 50.08 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.195 0.902 . . . . 0.0 113.539 -174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 -3.41 6.63 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -130.05 20.67 5.38 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -172.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.4 m -61.02 139.49 58.05 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.1 -1.0 . . . . 0.0 113.236 -170.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.16 153.71 39.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.171 1.789 . . . . 0.0 110.775 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.9 m -74.99 70.67 2.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.348 1.059 . . . . 0.0 111.995 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -122.38 17.48 10.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -144.8 143.65 30.75 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 119.944 -1.723 . . . . 0.0 113.859 -170.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -103.35 138.7 39.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.326 1.051 . . . . 0.0 108.574 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -60.75 137.97 58.15 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.898 1.679 . . . . 0.0 111.269 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.7 tp . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 123.082 0.553 . . . . 0.0 112.364 -176.386 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.34 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.28 179.37 40.78 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-O 121.984 0.769 . . . . 0.0 114.697 -175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -59.33 157.16 11.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.256 1.823 . . . . 0.0 114.788 -174.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.9 mm -74.89 129.66 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.15 0.98 . . . . 0.0 111.362 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -75.54 163.27 27.53 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.272 1.829 . . . . 0.0 113.329 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -63.13 134.45 56.05 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.259 -0.9 . . . . 0.0 112.398 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.9 t30 51.49 27.53 3.89 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.963 2.105 . . . . 0.0 114.124 -173.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -97.27 161.8 13.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.748 1.619 . . . . 0.0 110.08 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -66.23 130.52 43.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.729 0.811 . . . . 0.0 113.116 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 m -65.96 -20.77 66.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.611 1.164 . . . . 0.0 112.793 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.27 38.4 tp60 56.69 5.82 0.24 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 129.978 3.311 . . . . 0.0 117.384 168.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m 60.21 13.07 3.66 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.908 -1.745 . . . . 0.0 113.347 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 t -73.07 156.25 38.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.918 1.687 . . . . 0.0 111.058 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -59.28 -24.94 63.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.087 0.955 . . . . 0.0 112.895 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.71 132.39 48.0 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.789 1.235 . . . . 0.0 113.689 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.21 166.35 18.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.194 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -74.75 154.58 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.606 -0.684 . . . . 0.0 112.498 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -68.14 126.17 28.67 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.545 0.738 . . . . 0.0 111.49 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.0 129.35 1.16 Allowed Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.132 0.872 . . . . 0.0 112.597 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -59.51 -27.14 65.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 113.344 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.17 -24.23 57.85 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.124 1.528 . . . . 0.0 115.124 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -76.1 140.56 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.143 1.338 . . . . 0.0 111.401 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -137.04 149.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.445 1.098 . . . . 0.0 113.51 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -78.66 146.68 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.881 1.672 . . . . 0.0 112.211 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -155.63 141.15 17.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.457 1.503 . . . . 0.0 112.725 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.42 135.43 47.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.461 1.504 . . . . 0.0 110.592 168.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -78.53 -34.61 47.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.513 1.125 . . . . 0.0 112.57 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -77.75 151.37 79.66 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 123.954 0.901 . . . . 0.0 111.027 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.71 -27.59 85.09 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.749 2.966 . . . . 0.0 113.281 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -127.13 137.48 52.98 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.551 1.54 . . . . 0.0 109.083 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.03 156.25 15.43 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 121.435 0.464 . . . . 0.0 114.096 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.4 m -130.96 -26.5 2.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.796 1.639 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -76.1 35.96 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.425 1.89 . . . . 0.0 113.588 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.4 m -68.54 157.07 36.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.314 1.846 . . . . 0.0 112.768 -169.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -129.22 151.55 49.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.58 78.63 7.3 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.195 0.598 . . . . 0.0 111.65 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -122.09 22.02 10.35 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.587 1.955 . . . . 0.0 112.142 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -145.59 166.81 24.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.074 2.149 . . . . 0.0 112.053 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -121.91 142.67 50.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.905 1.682 . . . . 0.0 110.111 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.9 146.8 25.44 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.713 1.142 . . . . 0.0 112.77 171.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.36 145.29 56.29 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.369 0.668 . . . . 0.0 110.8 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 59.8 32.01 21.09 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.521 2.329 . . . . 0.0 115.521 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 54.1 t -77.33 112.11 13.71 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.665 -1.272 . . . . 0.0 110.302 169.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 p -82.53 31.21 0.41 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.024 1.73 . . . . 0.0 114.205 -173.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -76.76 163.61 26.64 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--O 1.251 1.142 0 C-N-CA 127.026 2.13 . . . . 0.0 112.232 -177.129 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.015 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.25 9.17 61.75 Favored Glycine 0 CA--C 1.536 1.406 0 CA-C-O 118.38 -1.233 . . . . 0.0 115.938 -174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -54.41 146.86 14.91 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.64 1.72 . . . . 0.0 114.172 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.8 mm -79.83 131.76 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.47 1.108 . . . . 0.0 111.273 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.1 162.38 29.52 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.916 1.286 . . . . 0.0 113.386 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -61.43 138.18 58.26 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.463 0.649 . . . . 0.0 112.493 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.3 t30 58.01 18.76 5.37 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.991 2.116 . . . . 0.0 114.982 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -78.95 148.83 32.49 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 119.74 -1.85 . . . . 0.0 111.093 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -68.08 127.62 33.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.023 1.329 . . . . 0.0 110.041 170.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.36 11.47 1.72 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 118.173 2.657 . . . . 0.0 118.173 -165.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -53.43 137.09 36.59 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 120.205 -1.559 . . . . 0.0 112.803 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 p 57.23 5.64 0.29 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 127.199 2.2 . . . . 0.0 116.721 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -65.11 137.76 57.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.907 -1.12 . . . . 0.0 112.933 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -66.27 -28.89 69.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.892 1.677 . . . . 0.0 113.221 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -100.85 148.5 24.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.586 1.954 . . . . 0.0 111.36 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -76.49 160.31 29.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.997 0.903 . . . . 0.0 112.752 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 82.7 m -73.06 144.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.555 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.7 m -60.43 121.6 12.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.468 0.707 . . . . 0.0 110.62 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 -176.35 18.09 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.655 1.121 . . . . 0.0 112.2 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -85.82 -45.59 11.44 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -151.75 53.31 0.82 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.706 1.602 . . . . 0.0 112.685 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.29 148.43 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.239 -0.913 . . . . 0.0 108.636 168.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.91 149.04 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 121.208 -0.932 . . . . 0.0 113.51 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.82 70.19 0.71 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 112.212 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -68.14 137.07 54.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.493 2.317 . . . . 0.0 113.618 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -85.56 115.87 23.52 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.312 0.645 . . . . 0.0 111.261 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -103.8 -12.46 16.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.259 1.824 . . . . 0.0 115.422 -168.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -154.46 135.85 9.02 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 124.349 1.06 . . . . 0.0 110.908 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -59.79 -27.38 84.81 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.918 2.412 . . . . 0.0 114.859 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -66.09 -31.33 72.14 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.743 -0.598 . . . . 0.0 112.309 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.1 153.55 41.75 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.985 1.278 . . . . 0.0 114.28 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.3 p -130.99 168.72 16.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.116 1.766 . . . . 0.0 108.539 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 53.37 71.78 0.48 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.577 1.151 . . . . 0.0 111.841 -170.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.6 m -58.84 159.15 7.22 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.635 1.574 . . . . 0.0 114.055 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -108.21 141.79 39.44 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 -165.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.97 66.46 0.8 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.318 1.047 . . . . 0.0 113.026 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -110.95 4.94 20.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.149 1.38 . . . . 0.0 113.815 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -144.4 144.24 31.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.466 1.107 . . . . 0.0 111.874 -170.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.8 m -73.16 154.54 40.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.62 1.168 . . . . 0.0 111.077 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -55.75 159.72 2.93 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -105.05 -43.73 4.97 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 161.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.19 137.52 52.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.373 1.869 . . . . 0.0 111.698 170.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.2 t -146.93 157.93 43.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.591 1.156 . . . . 0.0 112.046 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 60.83 21.17 11.32 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.288 1.435 . . . . 0.0 113.025 -177.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -113.75 154.93 26.53 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.137 1.775 . . . . 0.0 112.008 173.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.256 1.408 0 C-N-CA 126.325 1.85 . . . . 0.0 112.459 179.733 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.936 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.78 -179.88 46.53 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 126.352 1.93 . . . . 0.0 113.013 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -149.52 149.54 30.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.041 1.336 . . . . 0.0 112.469 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.9 mm -78.79 130.61 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.546 1.138 . . . . 0.0 110.321 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -83.91 171.26 13.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 122.162 0.982 . . . . 0.0 113.603 -172.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -58.25 142.39 47.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.176 0.99 . . . . 0.0 113.133 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 66.68 7.52 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.091 2.156 . . . . 0.0 115.586 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -88.04 158.95 18.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.702 1.201 . . . . 0.0 113.136 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -65.89 135.16 54.41 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.05 1.34 . . . . 0.0 113.883 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.3 t -110.26 -8.82 14.69 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.985 2.114 . . . . 0.0 113.607 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -61.79 -25.92 67.77 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -170.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.4 p -134.93 -11.4 2.28 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -168.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -56.96 142.46 41.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.22 1.008 . . . . 0.0 113.475 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.5 p -86.21 -5.73 59.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.837 1.255 . . . . 0.0 113.69 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.45 146.19 36.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.901 1.28 . . . . 0.0 111.515 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -69.57 160.38 31.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.46 157.41 34.27 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.459 168.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.65 -174.98 0.24 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.367 1.467 . . . . 0.0 113.134 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.56 -124.4 0.02 OUTLIER Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.31 1.434 . . . . 0.0 115.253 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 45.09 32.16 0.85 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.315 1.846 . . . . 0.0 115.144 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.8 t 63.97 15.28 9.07 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 126.598 1.959 . . . . 0.0 115.621 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.08 145.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.226 1.41 . . . . 0.0 113.81 -170.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.33 163.16 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.972 2.509 . . . . 0.0 111.998 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.05 144.77 28.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.862 1.665 . . . . 0.0 112.723 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -143.85 147.14 33.65 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.141 1.376 . . . . 0.0 111.994 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -114.29 133.01 55.96 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.44 1.496 . . . . 0.0 110.688 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -55.14 -33.57 63.01 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -146.71 154.28 47.73 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 126.064 1.746 . . . . 0.0 110.314 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.33 -10.51 27.21 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.458 2.105 . . . . 0.0 114.605 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -100.54 -28.37 12.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.675 1.19 . . . . 0.0 114.19 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.13 135.77 43.09 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 119.089 0.859 . . . . 0.0 113.037 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -84.91 6.66 23.99 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -101.2 129.1 47.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.419 1.488 . . . . 0.0 111.637 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -147.42 133.15 18.92 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.357 1.463 . . . . 0.0 109.693 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.93 150.07 52.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.718 1.207 . . . . 0.0 113.979 -167.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.1 m -78.21 83.2 4.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.183 0.993 . . . . 0.0 110.169 166.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -142.67 26.4 1.75 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.87 2.468 . . . . 0.0 113.339 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -142.91 166.8 23.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.031 1.732 . . . . 0.0 109.926 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.6 p -132.03 148.34 52.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.781 1.232 . . . . 0.0 111.179 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -72.53 160.83 31.65 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.075 -1.016 . . . . 0.0 113.335 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.15 -31.31 72.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.636 1.174 . . . . 0.0 114.161 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -122.87 91.77 3.56 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.978 1.311 . . . . 0.0 111.191 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.0 m -72.74 147.77 45.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.359 0.664 . . . . 0.0 111.69 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.8 m -141.37 138.99 33.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.508 1.123 . . . . 0.0 109.919 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 pm0 -154.03 166.66 32.32 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.479 1.111 . . . . 0.0 112.775 -169.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 124.341 1.056 . . . . 0.0 113.467 172.569 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.821 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.67 152.15 42.67 Favored Glycine 0 CA--C 1.536 1.396 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 -174.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -62.18 155.34 24.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.632 1.173 . . . . 0.0 112.275 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.36 131.35 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.04 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -76.91 160.95 28.79 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.674 -0.641 . . . . 0.0 112.026 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.35 130.56 39.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.996 -1.065 . . . . 0.0 112.789 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 t30 62.08 -5.77 0.16 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 128.033 2.533 . . . . 0.0 117.57 -170.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -73.16 164.14 27.12 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.662 1.573 . . . . 0.0 111.458 169.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -97.61 138.14 35.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -172.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.55 2.47 55.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.482 1.513 . . . . 0.0 113.427 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.49 -23.02 65.6 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -89.52 3.14 53.39 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 t -152.58 154.38 35.28 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -174.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 t -71.62 -22.48 61.7 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.42 167.25 22.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.282 0.946 . . . . 0.0 111.974 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -137.51 -169.43 2.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -166.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 m -69.54 154.84 41.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.767 1.627 . . . . 0.0 111.426 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 m -72.84 123.21 22.93 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.201 -0.937 . . . . 0.0 110.899 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.77 165.46 10.85 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.987 1.28 . . . . 0.0 114.373 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -79.15 -46.53 17.78 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -169.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.79 6.22 5.09 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.762 1.225 . . . . 0.0 113.92 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.45 132.79 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.051 1.74 . . . . 0.0 110.565 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.83 156.6 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 t -117.22 72.15 0.82 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.529 1.132 . . . . 0.0 107.96 169.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.82 132.17 44.9 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.893 2.477 . . . . 0.0 115.726 -166.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.1 126.87 39.59 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.521 1.929 . . . . 0.0 111.34 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.62 -27.2 45.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.331 1.052 . . . . 0.0 113.112 169.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -141.59 81.7 14.85 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 108.324 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.43 -24.07 33.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 124.131 3.221 . . . . 0.0 117.175 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -66.32 -26.01 67.1 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.765 0.826 . . . . 0.0 113.11 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.89 177.19 24.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.438 1.971 . . . . 0.0 114.028 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.9 p -90.94 95.76 10.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.518 1.127 . . . . 0.0 111.729 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -154.84 6.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.46 117.64 7.6 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.897 1.226 . . . . 0.0 111.691 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -140.18 144.61 36.7 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.775 1.63 . . . . 0.0 113.126 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.31 127.89 34.37 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.076 0.95 . . . . 0.0 113.054 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -155.63 168.12 28.18 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.686 1.594 . . . . 0.0 113.087 -167.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -45.62 131.27 8.91 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 128.022 2.529 . . . . 0.0 114.266 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -66.74 149.5 50.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.861 1.664 . . . . 0.0 114.929 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -63.07 138.56 58.59 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.534 1.533 . . . . 0.0 112.706 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 tp -70.12 -27.11 64.3 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.366 1.066 . . . . 0.0 112.881 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.51 15.52 1.63 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 t -123.13 148.33 45.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.349 1.86 . . . . 0.0 110.531 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.6 m -69.02 140.28 54.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.687 1.195 . . . . 0.0 113.294 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -72.97 30.15 0.06 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.953 2.901 . . . . 0.0 115.022 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 C--O 1.257 1.477 0 C-N-CA 125.243 1.417 . . . . 0.0 113.438 -169.183 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.34 145.42 42.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.042 0.829 . . . . 0.0 112.744 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.1 p -154.79 152.2 29.57 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.892 -0.769 . . . . 0.0 111.821 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -86.4 131.87 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.951 1.3 . . . . 0.0 111.009 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.2 162.28 27.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.93 1.292 . . . . 0.0 113.161 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -54.6 133.75 46.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 112.443 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.39 16.01 0.8 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.669 2.388 . . . . 0.0 115.584 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -86.53 148.62 25.43 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.359 -0.838 . . . . 0.0 111.915 169.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -79.78 125.86 30.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.541 1.136 . . . . 0.0 113.408 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m -73.72 16.7 0.19 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.271 1.828 . . . . 0.0 114.638 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -57.85 141.98 47.36 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.757 -1.214 . . . . 0.0 112.55 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 13.6 p 66.96 11.82 8.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.764 2.826 . . . . 0.0 118.232 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -141.95 159.96 41.17 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.887 1.221 . . . . 0.0 113.897 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 p -91.15 13.92 15.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.791 1.236 . . . . 0.0 113.204 169.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.88 153.7 41.71 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.887 -1.133 . . . . 0.0 112.321 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -91.0 163.46 14.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.434 1.494 . . . . 0.0 112.021 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.7 m -65.16 155.71 34.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.227 1.011 . . . . 0.0 111.838 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -71.62 42.26 0.08 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.25 151.69 23.0 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.289 1.423 . . . . 0.0 112.29 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -53.51 -32.39 50.23 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -132.49 -0.07 3.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 113.661 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.03 142.14 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.04 0.936 . . . . 0.0 110.309 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 m -135.34 153.25 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m -72.19 84.37 1.03 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.122 2.169 . . . . 0.0 111.517 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -73.02 115.78 12.75 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.927 -1.108 . . . . 0.0 112.304 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.21 80.97 5.53 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.9 1.28 . . . . 0.0 111.006 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -68.36 -31.5 70.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.466 1.106 . . . . 0.0 113.59 -172.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -131.96 149.67 73.98 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.421 1.089 . . . . 0.0 112.514 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.97 -8.61 20.26 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.654 2.903 . . . . 0.0 113.736 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -72.24 122.02 20.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.744 1.618 . . . . 0.0 111.039 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.3 -133.69 24.67 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.796 1.188 . . . . 0.0 113.758 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -110.7 57.72 0.62 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.428 1.491 . . . . 0.0 109.732 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -73.43 63.06 0.76 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.45 1.1 . . . . 0.0 112.042 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.7 m -113.38 96.03 5.68 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.45 1.5 . . . . 0.0 110.088 -172.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.39 144.62 26.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.989 1.315 . . . . 0.0 113.405 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -68.49 90.97 0.39 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.904 0.482 . . . . 0.0 111.409 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.88 -10.58 0.78 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -136.64 163.79 29.74 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.174 1.39 . . . . 0.0 111.162 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.1 m -134.47 133.54 40.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.142 0.977 . . . . 0.0 111.704 -168.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.87 136.02 57.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.825 1.25 . . . . 0.0 111.932 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -89.92 -5.5 56.69 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 169.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -134.51 113.31 11.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.833 1.653 . . . . 0.0 110.524 168.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.5 p -162.73 143.19 9.62 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.5 m -66.65 125.83 27.04 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.847 0.859 . . . . 0.0 110.228 172.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -119.91 -16.66 8.64 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.6 t0 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 126.166 1.787 . . . . 0.0 112.757 -172.852 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.28 -162.37 9.42 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.114 1.34 . . . . 0.0 112.944 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.2 p -55.43 152.35 8.88 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.99 1.316 . . . . 0.0 113.691 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.7 mm -63.95 140.11 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.278 1.431 . . . . 0.0 110.83 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.56 161.85 29.34 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.582 1.153 . . . . 0.0 113.453 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -50.52 127.69 18.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.019 1.328 . . . . 0.0 113.307 -171.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.92 16.08 1.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -80.6 169.36 17.75 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 120.265 1.393 . . . . 0.0 114.053 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t -67.06 145.55 55.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.329 1.052 . . . . 0.0 112.811 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -148.98 92.84 2.02 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.51 1.524 . . . . 0.0 110.134 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -149.62 147.29 27.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.882 0.873 . . . . 0.0 112.733 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m 64.84 -44.89 0.33 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.532 2.733 . . . . 0.0 115.077 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -54.09 150.54 8.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.268 1.427 . . . . 0.0 113.421 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 t -72.11 -21.3 61.51 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.235 1.014 . . . . 0.0 112.574 171.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.98 164.67 26.33 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 113.334 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -138.9 174.4 10.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.244 1.418 . . . . 0.0 112.356 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -74.84 150.95 39.07 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.06 0.933 . . . . 0.0 112.382 175.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -67.47 149.9 49.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.308 1.043 . . . . 0.0 112.52 -169.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.79 -156.63 30.3 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.896 1.236 . . . . 0.0 113.126 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -117.35 -37.3 3.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.337 1.855 . . . . 0.0 113.201 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -65.79 -38.86 90.13 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.3 t -81.79 141.53 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.305 1.042 . . . . 0.0 111.307 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.92 141.97 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.85 . . . . 0.0 112.458 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.8 m -69.49 65.22 0.18 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.001 2.12 . . . . 0.0 111.639 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -65.68 122.73 17.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.372 1.469 . . . . 0.0 114.537 -169.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.5 m -87.32 86.64 7.27 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 122.401 1.096 . . . . 0.0 110.641 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -60.52 -26.85 67.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.527 1.931 . . . . 0.0 114.713 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -131.95 135.31 26.43 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 119.335 0.971 . . . . 0.0 111.801 -171.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -55.3 134.2 62.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.697 2.265 . . . . 0.0 112.486 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 59.62 9.77 1.7 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.29 124.32 6.39 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 120.018 -1.676 . . . . 0.0 113.095 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 m -75.67 -21.02 58.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.948 1.299 . . . . 0.0 112.86 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -75.37 29.03 0.1 Allowed 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.7 m -54.34 143.73 22.58 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.614 1.552 . . . . 0.0 111.458 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -145.07 147.53 32.67 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -71.94 58.8 0.35 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.364 1.066 . . . . 0.0 112.711 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -117.17 23.03 12.13 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.313 1.445 . . . . 0.0 114.156 -169.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.1 144.06 27.57 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.183 1.393 . . . . 0.0 111.814 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.6 m -105.28 129.18 53.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.852 1.661 . . . . 0.0 110.645 173.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -70.07 157.63 37.2 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.935 1.294 . . . . 0.0 114.414 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 tp -57.19 -45.68 83.53 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.613 1.165 . . . . 0.0 112.697 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -83.58 21.85 1.16 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.1 t -54.67 -33.46 60.82 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.486 -1.384 . . . . 0.0 113.645 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.1 p -76.52 -0.75 24.21 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.56 138.1 48.56 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.233 1.378 . . . . 0.0 111.625 172.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 . . . . . 0 C--O 1.248 0.99 0 C-N-CA 125.903 1.681 . . . . 0.0 112.512 174.817 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.093 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.28 -111.88 3.42 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.338 0.971 . . . . 0.0 113.885 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.13 169.96 14.66 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.551 1.541 . . . . 0.0 111.444 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.9 126.12 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -75.44 150.79 38.19 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.582 -0.699 . . . . 0.0 111.079 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -56.48 140.08 47.17 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.902 -1.124 . . . . 0.0 111.886 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.9 t30 63.6 4.67 1.89 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -172.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -95.52 158.22 15.55 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.258 -1.526 . . . . 0.0 111.28 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -62.97 140.32 58.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.576 1.151 . . . . 0.0 113.137 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -123.62 13.59 9.37 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.383 2.273 . . . . 0.0 112.4 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -77.12 146.79 36.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.344 1.458 . . . . 0.0 112.294 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m 52.42 43.69 30.67 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.2 1.4 . . . . 0.0 113.315 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t -153.03 147.03 25.43 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.539 -1.351 . . . . 0.0 112.607 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -91.23 -15.68 28.84 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.973 1.309 . . . . 0.0 113.225 -177.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 156.09 26.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.035 -1.041 . . . . 0.0 111.912 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -113.9 174.26 6.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.211 1.404 . . . . 0.0 113.742 -167.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.43 155.97 13.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.264 0.626 . . . . 0.0 111.094 167.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.46 147.61 37.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.954 169.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.15 152.41 22.53 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.44 1.019 . . . . 0.0 114.714 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.1 -39.81 95.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.422 1.889 . . . . 0.0 115.348 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.53 -9.36 22.12 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -172.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 t -82.17 140.25 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.061 1.344 . . . . 0.0 110.698 -172.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.09 158.48 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.997 0.919 . . . . 0.0 113.459 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -89.11 131.32 35.31 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.772 2.029 . . . . 0.0 111.971 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -123.33 144.87 49.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.298 1.039 . . . . 0.0 111.837 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.2 m -120.54 128.88 53.5 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -168.43 166.12 12.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.87 2.468 . . . . 0.0 109.782 168.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m 53.34 80.51 0.29 Allowed Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 125.964 1.706 . . . . 0.0 114.015 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -56.27 -21.55 36.76 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.515 3.477 . . . . 0.0 118.558 -172.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -55.46 118.14 4.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.352 1.061 . . . . 0.0 112.991 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.19 -31.08 0.32 Allowed Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.806 1.669 . . . . 0.0 115.631 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 t -165.73 134.24 3.13 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.824 1.65 . . . . 0.0 111.108 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -73.37 -17.92 61.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 117.117 -1.421 . . . . 0.0 114.429 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 m -151.66 137.55 18.09 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.171 1.35 . . . . 0.0 114.271 -168.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.77 153.09 36.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.476 1.91 . . . . 0.0 111.452 172.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.13 100.94 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -163.37 162.11 24.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.279 1.832 . . . . 0.0 111.536 -167.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 61.29 62.68 1.33 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.389 1.876 . . . . 0.0 113.216 175.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -62.25 162.28 10.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.255 1.422 . . . . 0.0 112.838 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -74.1 109.16 7.37 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.523 1.129 . . . . 0.0 110.475 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.79 -22.51 64.27 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -115.54 7.63 14.94 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.361 1.065 . . . . 0.0 113.761 -174.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.7 t -68.98 -20.56 64.18 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.221 1.408 . . . . 0.0 114.599 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -69.82 115.74 9.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.891 1.277 . . . . 0.0 111.692 171.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.74 -45.6 24.22 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -172.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.3 t0 . . . . . 0 C--O 1.249 1.053 0 C-N-CA 125.721 1.608 . . . . 0.0 113.646 -177.19 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.64 84.91 0.97 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.148 1.356 . . . . 0.0 114.701 -174.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.1 p -159.37 150.11 19.54 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.761 1.624 . . . . 0.0 109.972 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -77.35 127.37 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 118.56 0.618 . . . . 0.0 110.423 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -86.17 158.69 19.7 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -59.05 134.11 56.7 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.211 1.404 . . . . 0.0 112.554 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 56.82 13.42 1.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.035 2.534 . . . . 0.0 115.314 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -82.03 150.64 27.49 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.775 -1.203 . . . . 0.0 111.751 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -61.95 139.35 58.4 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.482 1.113 . . . . 0.0 113.092 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -156.82 57.4 0.54 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 112.191 -171.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.22 -30.8 17.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 175.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -160.29 110.2 1.79 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.775 1.23 . . . . 0.0 110.83 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 t -157.64 -165.57 1.8 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.932 2.093 . . . . 0.0 111.032 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -133.91 20.29 3.81 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 126.574 1.95 . . . . 0.0 113.815 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.73 157.91 44.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.596 1.158 . . . . 0.0 112.731 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -88.9 171.83 9.62 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.702 1.601 . . . . 0.0 113.32 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.0 m -66.76 166.26 13.49 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.5 0.72 . . . . 0.0 111.806 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.9 m -75.16 42.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.921 1.688 . . . . 0.0 114.506 -176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.46 -179.47 47.71 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.244 1.878 . . . . 0.0 112.129 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -84.59 -40.99 16.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.807 1.243 . . . . 0.0 113.788 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.7 -21.62 19.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.497 1.519 . . . . 0.0 112.72 -170.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.62 140.5 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.908 2.083 . . . . 0.0 111.826 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 m -147.77 158.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.4 m -80.64 131.21 35.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.161 0.984 . . . . 0.0 110.776 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -149.06 137.76 21.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.663 1.185 . . . . 0.0 110.631 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.5 m -87.51 99.83 12.32 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -110.58 1.98 18.41 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -168.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.8 m -142.41 87.03 9.59 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.73 1.212 . . . . 0.0 110.461 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -59.11 -8.81 6.88 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.867 3.711 . . . . 0.0 116.987 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -69.53 27.21 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.409 2.283 . . . . 0.0 114.308 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.15 -166.45 31.55 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 126.141 1.829 . . . . 0.0 113.326 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -67.98 -9.69 47.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.495 1.918 . . . . 0.0 113.362 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -48.97 117.35 2.05 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.905 2.482 . . . . 0.0 113.393 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.1 t -152.31 130.9 12.27 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.725 1.61 . . . . 0.0 107.84 170.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -145.94 160.95 41.11 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -166.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -77.17 77.07 3.71 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -147.32 34.05 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 111.822 -168.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -144.43 146.55 32.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.398 2.279 . . . . 0.0 109.952 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -150.93 148.34 28.29 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.383 -0.823 . . . . 0.0 112.852 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -76.46 129.87 37.16 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.796 1.638 . . . . 0.0 110.561 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp -79.81 142.56 35.2 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 49.35 52.98 13.44 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.951 2.1 . . . . 0.0 114.081 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.5 p -75.24 110.76 9.84 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.055 -1.028 . . . . 0.0 111.561 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -124.23 -8.25 7.61 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.75 1.62 . . . . 0.0 113.632 -175.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -69.82 172.06 8.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.086 1.355 . . . . 0.0 114.068 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 127.742 2.417 . . . . 0.0 115.061 -169.156 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.877 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.8 117.8 11.82 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-N 118.846 1.323 . . . . 0.0 113.515 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.42 154.3 32.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 113.477 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.2 mm -75.4 131.18 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.452 -0.78 . . . . 0.0 111.27 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -89.2 161.49 16.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.422 1.089 . . . . 0.0 112.181 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -54.83 132.49 46.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.239 1.016 . . . . 0.0 112.793 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 61.14 3.7 0.75 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.863 2.465 . . . . 0.0 115.642 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -76.03 163.13 27.45 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 119.762 -1.836 . . . . 0.0 110.946 168.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -71.1 139.84 50.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.216 1.406 . . . . 0.0 113.048 -176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.69 16.49 4.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.114 1.766 . . . . 0.0 113.031 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.76 -26.38 68.33 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 m -149.13 93.49 2.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.088 1.355 . . . . 0.0 110.358 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -163.93 144.87 8.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.031 1.332 . . . . 0.0 112.344 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 p -76.29 -12.38 60.07 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -113.43 176.25 5.11 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -92.05 164.98 13.41 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -68.51 129.43 39.91 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.986 166.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 135.19 56.38 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.922 1.237 . . . . 0.0 111.485 171.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.62 135.96 4.64 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.205 1.86 . . . . 0.0 111.434 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.02 -29.18 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.728 1.211 . . . . 0.0 113.461 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.82 5.99 5.07 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.685 1.594 . . . . 0.0 113.94 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.2 t -70.64 137.86 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 119.756 1.162 . . . . 0.0 110.619 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.44 149.53 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.749 1.22 . . . . 0.0 112.2 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.28 121.33 22.79 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.563 0.745 . . . . 0.0 110.226 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -112.2 98.56 7.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.008 1.723 . . . . 0.0 110.995 -171.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.5 m -88.56 130.26 35.29 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.04 1.336 . . . . 0.0 111.911 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -158.15 -9.11 0.08 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m 49.89 74.54 0.79 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 125.441 1.496 . . . . 0.0 113.947 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.78 -41.03 1.65 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.329 2.019 . . . . 0.0 113.419 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -144.62 -24.06 0.52 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -170.29 -54.52 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 CA-C-N 119.052 0.842 . . . . 0.0 113.683 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.2 m -73.69 120.48 19.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.169 0.984 . . . . 0.0 110.092 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -70.27 -45.11 67.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -168.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.8 m -144.15 142.07 30.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -139.75 150.16 44.46 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.571 1.549 . . . . 0.0 111.916 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.1 m -75.66 51.52 0.61 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.159 1.384 . . . . 0.0 113.052 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -108.73 31.4 5.67 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.542 1.537 . . . . 0.0 113.202 -169.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -154.02 149.6 27.37 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.357 -1.464 . . . . 0.0 112.687 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.2 m -102.7 146.72 27.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.745 1.218 . . . . 0.0 112.051 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -58.38 140.79 53.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.626 1.97 . . . . 0.0 112.712 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.16 -29.92 70.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.636 1.174 . . . . 0.0 113.799 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.38 123.05 30.73 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.976 1.711 . . . . 0.0 109.187 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 t -134.93 147.28 49.76 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.359 1.064 . . . . 0.0 112.077 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 m -141.82 123.02 14.72 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.678 1.591 . . . . 0.0 109.073 169.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -145.68 -62.38 0.33 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.741 1.216 . . . . 0.0 111.608 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--O 1.254 1.299 0 C-N-CA 125.266 1.426 . . . . 0.0 114.533 -173.266 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.23 6.49 79.42 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.397 1.475 . . . . 0.0 115.865 -176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.33 162.59 36.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.046 1.338 . . . . 0.0 112.724 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.4 mm -78.66 136.15 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.902 0.881 . . . . 0.0 110.606 168.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -62.83 156.75 23.19 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.68 1.592 . . . . 0.0 113.889 173.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -75.98 151.32 37.25 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.258 -0.901 . . . . 0.0 111.833 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 55.86 33.97 22.61 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.389 1.475 . . . . 0.0 112.506 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -143.8 151.45 39.96 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.103 1.761 . . . . 0.0 111.479 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 t -72.5 139.1 47.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -90.47 -1.2 57.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.04 -23.07 61.68 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -76.03 -20.91 57.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -154.95 151.78 28.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.942 1.246 . . . . 0.0 113.564 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.3 m -71.25 -18.89 62.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.015 1.326 . . . . 0.0 113.696 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.3 169.14 14.41 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.62 164.29 20.87 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.091 2.156 . . . . 0.0 115.297 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -74.43 153.85 39.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.203 0.601 . . . . 0.0 110.438 168.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.34 156.14 39.71 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.189 -0.944 . . . . 0.0 109.837 167.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.32 120.44 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.719 1.152 . . . . 0.0 111.646 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -65.34 -22.92 66.87 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.08 2.0 52.92 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.9 137.91 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.972 -1.08 . . . . 0.0 112.857 -169.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.52 145.59 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 125.475 1.51 . . . . 0.0 110.903 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 t -73.12 132.85 43.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.535 -0.728 . . . . 0.0 110.066 170.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -127.82 123.34 34.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.156 1.382 . . . . 0.0 112.45 -169.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.61 119.87 26.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.713 -0.617 . . . . 0.0 110.604 171.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -98.24 -25.05 15.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 0.0 112.201 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -76.86 140.23 66.92 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.67 0.788 . . . . 0.0 111.952 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -65.95 -18.69 57.72 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.045 2.497 . . . . 0.0 114.747 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -129.42 165.04 22.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.009 2.124 . . . . 0.0 110.234 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.48 140.82 0.85 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.918 1.247 . . . . 0.0 114.577 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 p -85.43 15.52 4.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.872 1.269 . . . . 0.0 113.634 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -70.78 58.45 0.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.262 2.225 . . . . 0.0 112.163 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.7 m -78.71 146.76 33.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.826 1.251 . . . . 0.0 110.972 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -117.97 133.07 56.27 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.563 1.945 . . . . 0.0 111.209 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.47 87.55 0.65 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.459 1.027 . . . . 0.0 109.613 170.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.81 14.46 0.93 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.269 1.427 . . . . 0.0 112.908 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -143.43 140.87 30.61 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.463 1.105 . . . . 0.0 112.333 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -109.93 127.27 54.64 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 126.212 1.805 . . . . 0.0 109.606 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -74.61 139.44 43.65 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.036 0.934 . . . . 0.0 110.783 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.35 173.82 6.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.456 1.103 . . . . 0.0 112.756 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 56.73 32.35 21.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.945 1.698 . . . . 0.0 112.482 -170.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.3 t -149.01 110.72 4.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.188 1.395 . . . . 0.0 111.621 -174.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.1 p -98.42 -4.08 35.43 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.502 1.921 . . . . 0.0 114.109 -169.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.31 140.42 58.87 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.184 -0.947 . . . . 0.0 111.933 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.1 p-10 . . . . . 0 C--O 1.247 0.933 0 C-N-CA 125.91 1.684 . . . . 0.0 112.734 174.726 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.02 -120.96 5.75 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 118.436 1.118 . . . . 0.0 113.079 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 p -65.88 162.54 18.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.862 1.265 . . . . 0.0 113.497 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.69 131.46 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.507 1.123 . . . . 0.0 110.651 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -80.22 162.48 24.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.788 1.235 . . . . 0.0 113.106 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -56.17 141.05 42.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.185 0.994 . . . . 0.0 112.441 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . 0.27 7.3 m-80 57.98 10.72 1.23 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -79.25 162.73 25.48 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.972 0.805 . . . . 0.0 111.932 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -68.36 130.86 44.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.668 0.787 . . . . 0.0 112.32 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.4 p -119.4 20.05 12.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.952 1.701 . . . . 0.0 111.634 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 126.14 28.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.609 1.163 . . . . 0.0 111.576 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m 44.39 55.77 5.43 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.291 1.836 . . . . 0.0 113.009 172.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -135.26 146.56 48.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.5 m -84.6 -6.39 59.36 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.113 1.765 . . . . 0.0 112.346 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.05 155.83 22.52 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.564 1.545 . . . . 0.0 112.615 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -118.81 152.23 36.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.914 1.286 . . . . 0.0 113.162 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.7 m -86.51 153.72 21.63 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.234 1.414 . . . . 0.0 113.146 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 m -72.35 133.8 45.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.441 1.097 . . . . 0.0 112.831 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.88 136.7 5.81 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 126.715 2.102 . . . . 0.0 114.091 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -54.92 -39.14 68.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.298 1.439 . . . . 0.0 113.486 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -82.76 -13.03 57.03 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.42 140.88 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 120.14 1.336 . . . . 0.0 111.199 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.41 153.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.208 1.003 . . . . 0.0 112.484 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.25 133.06 41.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.631 0.772 . . . . 0.0 110.499 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -131.49 141.3 49.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.2 1.4 . . . . 0.0 112.188 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 m -115.09 130.58 56.97 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.722 1.209 . . . . 0.0 110.73 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -77.95 -0.35 27.33 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.999 0.92 . . . . 0.0 112.717 169.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -122.24 148.86 53.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.484 1.914 . . . . 0.0 113.635 -167.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.55 -20.68 26.76 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.966 3.111 . . . . 0.0 115.072 -170.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -125.44 14.76 8.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 113.494 -175.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.97 74.74 0.95 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.466 1.031 . . . . 0.0 113.868 173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.8 m -118.7 129.46 55.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.084 1.353 . . . . 0.0 110.586 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 47.69 44.27 17.37 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.9 m -67.77 153.47 43.64 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.595 1.158 . . . . 0.0 113.677 -174.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.71 143.69 50.45 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.521 1.528 . . . . 0.0 113.474 -169.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 m -79.86 81.08 6.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.673 -0.642 . . . . 0.0 109.822 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -136.64 28.5 2.97 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.47 1.908 . . . . 0.0 111.918 -172.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -154.59 163.53 40.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.294 1.438 . . . . 0.0 111.775 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.0 p -131.49 146.17 52.11 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -72.53 134.22 45.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.537 1.935 . . . . 0.0 110.877 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt -67.34 -58.36 4.94 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.415 0.686 . . . . 0.0 111.583 -172.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.84 40.32 1.02 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.77 1.228 . . . . 0.0 113.391 -175.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 p -70.91 7.82 1.07 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.8 p -122.93 1.28 9.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.273 1.429 . . . . 0.0 112.814 169.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.78 131.96 46.02 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.18 0.9 . . . . 0.0 110.22 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 . . . . . 0 C--O 1.256 1.438 0 C-N-CA 125.272 1.429 . . . . 0.0 114.238 -177.479 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.9 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.3 138.7 6.87 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.49 1.043 . . . . 0.0 114.082 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.86 157.79 17.47 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.973 1.309 . . . . 0.0 113.657 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.37 138.79 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.172 1.389 . . . . 0.0 111.435 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -86.73 159.61 19.1 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -51.31 127.76 20.5 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.98 1.312 . . . . 0.0 113.481 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 m120 61.92 6.92 1.84 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.762 2.825 . . . . 0.0 117.07 -170.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -80.28 157.75 26.34 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.007 1.73 . . . . 0.0 112.009 173.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 t -65.28 132.88 50.19 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.016 0.926 . . . . 0.0 111.834 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.1 t -135.71 55.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.674 1.99 . . . . 0.0 109.701 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -121.88 136.88 54.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.046 1.338 . . . . 0.0 112.146 -168.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m 56.96 50.91 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.681 1.193 . . . . 0.0 111.023 174.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 t -145.2 154.07 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.877 1.271 . . . . 0.0 112.022 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.6 p -74.35 -12.91 60.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.646 1.578 . . . . 0.0 113.732 168.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -78.19 166.03 23.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.954 1.701 . . . . 0.0 114.835 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -126.31 168.95 13.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.457 1.903 . . . . 0.0 113.031 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.04 150.99 45.03 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.8 m -65.81 147.78 52.84 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.632 0.773 . . . . 0.0 112.664 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -178.53 34.01 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.196 0.903 . . . . 0.0 112.81 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -109.36 -23.68 11.43 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 113.429 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.7 m -117.88 -6.98 10.98 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.39 139.97 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.453 1.479 . . . . 0.0 110.472 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.4 m -140.87 152.58 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.568 1.147 . . . . 0.0 113.319 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.1 m -74.3 147.48 42.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.835 0.854 . . . . 0.0 111.719 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -153.77 131.01 11.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.352 1.061 . . . . 0.0 112.47 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.56 117.86 30.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.004 1.322 . . . . 0.0 109.836 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -81.94 15.73 2.16 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -148.25 157.13 42.88 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 126.813 2.045 . . . . 0.0 110.01 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.41 -2.78 12.62 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 123.737 2.958 . . . . 0.0 115.922 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -71.5 -30.03 65.49 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.07 32.15 50.08 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.195 0.902 . . . . 0.0 113.539 -174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 -3.41 6.63 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -130.05 20.67 5.38 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -172.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.4 m -61.02 139.49 58.05 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.1 -1.0 . . . . 0.0 113.236 -170.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.16 153.71 39.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.171 1.789 . . . . 0.0 110.775 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.9 m -74.99 70.67 2.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.348 1.059 . . . . 0.0 111.995 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -122.38 17.48 10.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -144.8 143.65 30.75 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 119.944 -1.723 . . . . 0.0 113.859 -170.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -103.35 138.7 39.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.326 1.051 . . . . 0.0 108.574 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -60.75 137.97 58.15 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.898 1.679 . . . . 0.0 111.269 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.7 tp -70.9 -53.36 15.38 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.082 0.553 . . . . 0.0 112.364 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -115.8 118.9 34.31 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.299 1.44 . . . . 0.0 109.504 171.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.3 t -127.74 120.78 28.67 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.09 0.956 . . . . 0.0 111.71 -171.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.3 m -70.71 128.76 37.16 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.612 0.765 . . . . 0.0 111.602 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -88.95 -55.57 3.64 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.261 -0.899 . . . . 0.0 112.954 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 126.523 1.929 . . . . 0.0 113.378 -178.434 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 121.984 0.769 . . . . 0.0 114.697 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -59.33 157.16 11.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.256 1.823 . . . . 0.0 114.788 -174.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.9 mm -74.89 129.66 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.15 0.98 . . . . 0.0 111.362 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -75.54 163.27 27.53 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.272 1.829 . . . . 0.0 113.329 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -63.13 134.45 56.05 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.259 -0.9 . . . . 0.0 112.398 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.9 t30 51.49 27.53 3.89 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.963 2.105 . . . . 0.0 114.124 -173.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -97.27 161.8 13.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.748 1.619 . . . . 0.0 110.08 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -66.23 130.52 43.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.729 0.811 . . . . 0.0 113.116 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 m -65.96 -20.77 66.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.611 1.164 . . . . 0.0 112.793 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.27 38.4 tp60 56.69 5.82 0.24 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 129.978 3.311 . . . . 0.0 117.384 168.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m 60.21 13.07 3.66 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.908 -1.745 . . . . 0.0 113.347 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 t -73.07 156.25 38.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.918 1.687 . . . . 0.0 111.058 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -59.28 -24.94 63.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.087 0.955 . . . . 0.0 112.895 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.71 132.39 48.0 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.789 1.235 . . . . 0.0 113.689 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.21 166.35 18.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.194 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -74.75 154.58 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.606 -0.684 . . . . 0.0 112.498 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -68.14 126.17 28.67 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.545 0.738 . . . . 0.0 111.49 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.0 129.35 1.16 Allowed Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.132 0.872 . . . . 0.0 112.597 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -59.51 -27.14 65.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 113.344 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.17 -24.23 57.85 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.124 1.528 . . . . 0.0 115.124 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -76.1 140.56 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.143 1.338 . . . . 0.0 111.401 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -137.04 149.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.445 1.098 . . . . 0.0 113.51 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -78.66 146.68 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.881 1.672 . . . . 0.0 112.211 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -155.63 141.15 17.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.457 1.503 . . . . 0.0 112.725 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.42 135.43 47.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.461 1.504 . . . . 0.0 110.592 168.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -78.53 -34.61 47.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.513 1.125 . . . . 0.0 112.57 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -77.75 151.37 79.66 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 123.954 0.901 . . . . 0.0 111.027 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.71 -27.59 85.09 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.749 2.966 . . . . 0.0 113.281 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -127.13 137.48 52.98 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.551 1.54 . . . . 0.0 109.083 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.03 156.25 15.43 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 121.435 0.464 . . . . 0.0 114.096 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.4 m -130.96 -26.5 2.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.796 1.639 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -76.1 35.96 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.425 1.89 . . . . 0.0 113.588 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.4 m -68.54 157.07 36.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.314 1.846 . . . . 0.0 112.768 -169.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -129.22 151.55 49.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.58 78.63 7.3 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.195 0.598 . . . . 0.0 111.65 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -122.09 22.02 10.35 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.587 1.955 . . . . 0.0 112.142 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -145.59 166.81 24.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.074 2.149 . . . . 0.0 112.053 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -121.91 142.67 50.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.905 1.682 . . . . 0.0 110.111 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.9 146.8 25.44 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.713 1.142 . . . . 0.0 112.77 171.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.238 0.468 0 C-N-CA 123.369 0.668 . . . . 0.0 110.8 -177.801 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.406 0 CA-C-O 118.38 -1.233 . . . . 0.0 115.938 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -54.41 146.86 14.91 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.64 1.72 . . . . 0.0 114.172 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.8 mm -79.83 131.76 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.47 1.108 . . . . 0.0 111.273 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.1 162.38 29.52 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.916 1.286 . . . . 0.0 113.386 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -61.43 138.18 58.26 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.463 0.649 . . . . 0.0 112.493 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.3 t30 58.01 18.76 5.37 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.991 2.116 . . . . 0.0 114.982 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -78.95 148.83 32.49 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 119.74 -1.85 . . . . 0.0 111.093 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -68.08 127.62 33.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.023 1.329 . . . . 0.0 110.041 170.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.36 11.47 1.72 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 118.173 2.657 . . . . 0.0 118.173 -165.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -53.43 137.09 36.59 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 120.205 -1.559 . . . . 0.0 112.803 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 p 57.23 5.64 0.29 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 127.199 2.2 . . . . 0.0 116.721 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -65.11 137.76 57.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.907 -1.12 . . . . 0.0 112.933 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -66.27 -28.89 69.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.892 1.677 . . . . 0.0 113.221 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -100.85 148.5 24.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.586 1.954 . . . . 0.0 111.36 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -76.49 160.31 29.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.997 0.903 . . . . 0.0 112.752 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 82.7 m -73.06 144.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.555 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.7 m -60.43 121.6 12.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.468 0.707 . . . . 0.0 110.62 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 -176.35 18.09 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.655 1.121 . . . . 0.0 112.2 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -85.82 -45.59 11.44 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -151.75 53.31 0.82 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.706 1.602 . . . . 0.0 112.685 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.29 148.43 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.239 -0.913 . . . . 0.0 108.636 168.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.91 149.04 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 121.208 -0.932 . . . . 0.0 113.51 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.82 70.19 0.71 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 112.212 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -68.14 137.07 54.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.493 2.317 . . . . 0.0 113.618 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -85.56 115.87 23.52 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.312 0.645 . . . . 0.0 111.261 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -103.8 -12.46 16.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.259 1.824 . . . . 0.0 115.422 -168.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -154.46 135.85 9.02 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 124.349 1.06 . . . . 0.0 110.908 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -59.79 -27.38 84.81 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.918 2.412 . . . . 0.0 114.859 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -66.09 -31.33 72.14 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.743 -0.598 . . . . 0.0 112.309 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.1 153.55 41.75 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.985 1.278 . . . . 0.0 114.28 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.3 p -130.99 168.72 16.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.116 1.766 . . . . 0.0 108.539 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 53.37 71.78 0.48 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.577 1.151 . . . . 0.0 111.841 -170.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.6 m -58.84 159.15 7.22 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.635 1.574 . . . . 0.0 114.055 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -108.21 141.79 39.44 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 -165.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.97 66.46 0.8 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.318 1.047 . . . . 0.0 113.026 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -110.95 4.94 20.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.149 1.38 . . . . 0.0 113.815 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -144.4 144.24 31.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.466 1.107 . . . . 0.0 111.874 -170.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.8 m -73.16 154.54 40.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.62 1.168 . . . . 0.0 111.077 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -55.75 159.72 2.93 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 161.737 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.579 0 N-CA-C 113.013 -0.035 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -149.52 149.54 30.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.041 1.336 . . . . 0.0 112.469 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.9 mm -78.79 130.61 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.546 1.138 . . . . 0.0 110.321 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -83.91 171.26 13.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 122.162 0.982 . . . . 0.0 113.603 -172.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -58.25 142.39 47.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.176 0.99 . . . . 0.0 113.133 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 66.68 7.52 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.091 2.156 . . . . 0.0 115.586 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -88.04 158.95 18.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.702 1.201 . . . . 0.0 113.136 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -65.89 135.16 54.41 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.05 1.34 . . . . 0.0 113.883 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.3 t -110.26 -8.82 14.69 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.985 2.114 . . . . 0.0 113.607 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -61.79 -25.92 67.77 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -170.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.4 p -134.93 -11.4 2.28 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -168.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -56.96 142.46 41.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.22 1.008 . . . . 0.0 113.475 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.5 p -86.21 -5.73 59.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.837 1.255 . . . . 0.0 113.69 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.45 146.19 36.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.901 1.28 . . . . 0.0 111.515 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -69.57 160.38 31.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.46 157.41 34.27 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.459 168.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.65 -174.98 0.24 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.367 1.467 . . . . 0.0 113.134 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.56 -124.4 0.02 OUTLIER Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.31 1.434 . . . . 0.0 115.253 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 45.09 32.16 0.85 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.315 1.846 . . . . 0.0 115.144 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.8 t 63.97 15.28 9.07 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 126.598 1.959 . . . . 0.0 115.621 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.08 145.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.226 1.41 . . . . 0.0 113.81 -170.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.33 163.16 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.972 2.509 . . . . 0.0 111.998 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.05 144.77 28.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.862 1.665 . . . . 0.0 112.723 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -143.85 147.14 33.65 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.141 1.376 . . . . 0.0 111.994 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -114.29 133.01 55.96 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.44 1.496 . . . . 0.0 110.688 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -55.14 -33.57 63.01 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -146.71 154.28 47.73 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 126.064 1.746 . . . . 0.0 110.314 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.33 -10.51 27.21 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.458 2.105 . . . . 0.0 114.605 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -100.54 -28.37 12.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.675 1.19 . . . . 0.0 114.19 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.13 135.77 43.09 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 119.089 0.859 . . . . 0.0 113.037 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -84.91 6.66 23.99 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -101.2 129.1 47.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.419 1.488 . . . . 0.0 111.637 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -147.42 133.15 18.92 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.357 1.463 . . . . 0.0 109.693 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.93 150.07 52.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.718 1.207 . . . . 0.0 113.979 -167.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.1 m -78.21 83.2 4.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.183 0.993 . . . . 0.0 110.169 166.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -142.67 26.4 1.75 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.87 2.468 . . . . 0.0 113.339 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -142.91 166.8 23.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.031 1.732 . . . . 0.0 109.926 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.6 p -132.03 148.34 52.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.781 1.232 . . . . 0.0 111.179 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -72.53 160.83 31.65 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.075 -1.016 . . . . 0.0 113.335 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 N--CA 1.477 0.921 0 C-N-CA 124.636 1.174 . . . . 0.0 114.161 -172.738 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.396 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -62.18 155.34 24.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.632 1.173 . . . . 0.0 112.275 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.36 131.35 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.04 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -76.91 160.95 28.79 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.674 -0.641 . . . . 0.0 112.026 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.35 130.56 39.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.996 -1.065 . . . . 0.0 112.789 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 t30 62.08 -5.77 0.16 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 128.033 2.533 . . . . 0.0 117.57 -170.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -73.16 164.14 27.12 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.662 1.573 . . . . 0.0 111.458 169.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -97.61 138.14 35.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -172.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.55 2.47 55.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.482 1.513 . . . . 0.0 113.427 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.49 -23.02 65.6 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -89.52 3.14 53.39 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 t -152.58 154.38 35.28 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -174.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 t -71.62 -22.48 61.7 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.42 167.25 22.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.282 0.946 . . . . 0.0 111.974 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -137.51 -169.43 2.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -166.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 m -69.54 154.84 41.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.767 1.627 . . . . 0.0 111.426 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 m -72.84 123.21 22.93 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.201 -0.937 . . . . 0.0 110.899 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.77 165.46 10.85 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.987 1.28 . . . . 0.0 114.373 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -79.15 -46.53 17.78 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -169.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.79 6.22 5.09 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.762 1.225 . . . . 0.0 113.92 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.45 132.79 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.051 1.74 . . . . 0.0 110.565 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.83 156.6 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 t -117.22 72.15 0.82 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.529 1.132 . . . . 0.0 107.96 169.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.82 132.17 44.9 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.893 2.477 . . . . 0.0 115.726 -166.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.1 126.87 39.59 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.521 1.929 . . . . 0.0 111.34 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.62 -27.2 45.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.331 1.052 . . . . 0.0 113.112 169.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -141.59 81.7 14.85 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 108.324 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.43 -24.07 33.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 124.131 3.221 . . . . 0.0 117.175 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -66.32 -26.01 67.1 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.765 0.826 . . . . 0.0 113.11 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.89 177.19 24.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.438 1.971 . . . . 0.0 114.028 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.9 p -90.94 95.76 10.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.518 1.127 . . . . 0.0 111.729 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -154.84 6.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.46 117.64 7.6 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.897 1.226 . . . . 0.0 111.691 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -140.18 144.61 36.7 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.775 1.63 . . . . 0.0 113.126 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.31 127.89 34.37 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.076 0.95 . . . . 0.0 113.054 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -155.63 168.12 28.18 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.686 1.594 . . . . 0.0 113.087 -167.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -45.62 131.27 8.91 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 128.022 2.529 . . . . 0.0 114.266 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -66.74 149.5 50.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.861 1.664 . . . . 0.0 114.929 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -63.07 138.56 58.59 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.534 1.533 . . . . 0.0 112.706 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 tp . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.366 1.066 . . . . 0.0 112.881 176.295 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 112.744 -0.143 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.1 p -154.79 152.2 29.57 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.892 -0.769 . . . . 0.0 111.821 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -86.4 131.87 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.951 1.3 . . . . 0.0 111.009 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.2 162.28 27.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.93 1.292 . . . . 0.0 113.161 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -54.6 133.75 46.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 112.443 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.39 16.01 0.8 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.669 2.388 . . . . 0.0 115.584 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -86.53 148.62 25.43 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.359 -0.838 . . . . 0.0 111.915 169.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -79.78 125.86 30.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.541 1.136 . . . . 0.0 113.408 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m -73.72 16.7 0.19 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.271 1.828 . . . . 0.0 114.638 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -57.85 141.98 47.36 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.757 -1.214 . . . . 0.0 112.55 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 13.6 p 66.96 11.82 8.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.764 2.826 . . . . 0.0 118.232 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -141.95 159.96 41.17 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.887 1.221 . . . . 0.0 113.897 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 p -91.15 13.92 15.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.791 1.236 . . . . 0.0 113.204 169.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.88 153.7 41.71 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.887 -1.133 . . . . 0.0 112.321 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -91.0 163.46 14.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.434 1.494 . . . . 0.0 112.021 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.7 m -65.16 155.71 34.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.227 1.011 . . . . 0.0 111.838 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -71.62 42.26 0.08 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.25 151.69 23.0 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.289 1.423 . . . . 0.0 112.29 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -53.51 -32.39 50.23 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -132.49 -0.07 3.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 113.661 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.03 142.14 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.04 0.936 . . . . 0.0 110.309 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 m -135.34 153.25 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m -72.19 84.37 1.03 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.122 2.169 . . . . 0.0 111.517 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -73.02 115.78 12.75 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.927 -1.108 . . . . 0.0 112.304 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.21 80.97 5.53 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.9 1.28 . . . . 0.0 111.006 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -68.36 -31.5 70.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.466 1.106 . . . . 0.0 113.59 -172.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -131.96 149.67 73.98 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.421 1.089 . . . . 0.0 112.514 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.97 -8.61 20.26 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.654 2.903 . . . . 0.0 113.736 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -72.24 122.02 20.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.744 1.618 . . . . 0.0 111.039 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.3 -133.69 24.67 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.796 1.188 . . . . 0.0 113.758 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -110.7 57.72 0.62 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.428 1.491 . . . . 0.0 109.732 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -73.43 63.06 0.76 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.45 1.1 . . . . 0.0 112.042 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.7 m -113.38 96.03 5.68 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.45 1.5 . . . . 0.0 110.088 -172.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.39 144.62 26.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.989 1.315 . . . . 0.0 113.405 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -68.49 90.97 0.39 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.904 0.482 . . . . 0.0 111.409 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.88 -10.58 0.78 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -136.64 163.79 29.74 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.174 1.39 . . . . 0.0 111.162 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.1 m -134.47 133.54 40.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.142 0.977 . . . . 0.0 111.704 -168.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.87 136.02 57.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.825 1.25 . . . . 0.0 111.932 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 169.73 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.334 0 CA-C-O 120.136 -0.258 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.2 p -55.43 152.35 8.88 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.99 1.316 . . . . 0.0 113.691 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.7 mm -63.95 140.11 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.278 1.431 . . . . 0.0 110.83 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.56 161.85 29.34 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.582 1.153 . . . . 0.0 113.453 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -50.52 127.69 18.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.019 1.328 . . . . 0.0 113.307 -171.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.92 16.08 1.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -80.6 169.36 17.75 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 120.265 1.393 . . . . 0.0 114.053 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t -67.06 145.55 55.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.329 1.052 . . . . 0.0 112.811 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -148.98 92.84 2.02 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.51 1.524 . . . . 0.0 110.134 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -149.62 147.29 27.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.882 0.873 . . . . 0.0 112.733 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m 64.84 -44.89 0.33 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.532 2.733 . . . . 0.0 115.077 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -54.09 150.54 8.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.268 1.427 . . . . 0.0 113.421 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 t -72.11 -21.3 61.51 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.235 1.014 . . . . 0.0 112.574 171.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.98 164.67 26.33 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 113.334 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -138.9 174.4 10.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.244 1.418 . . . . 0.0 112.356 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -74.84 150.95 39.07 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.06 0.933 . . . . 0.0 112.382 175.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -67.47 149.9 49.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.308 1.043 . . . . 0.0 112.52 -169.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.79 -156.63 30.3 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.896 1.236 . . . . 0.0 113.126 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -117.35 -37.3 3.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.337 1.855 . . . . 0.0 113.201 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -65.79 -38.86 90.13 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.3 t -81.79 141.53 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.305 1.042 . . . . 0.0 111.307 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.92 141.97 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.85 . . . . 0.0 112.458 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.8 m -69.49 65.22 0.18 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.001 2.12 . . . . 0.0 111.639 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -65.68 122.73 17.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.372 1.469 . . . . 0.0 114.537 -169.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.5 m -87.32 86.64 7.27 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 122.401 1.096 . . . . 0.0 110.641 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -60.52 -26.85 67.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.527 1.931 . . . . 0.0 114.713 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -131.95 135.31 26.43 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 119.335 0.971 . . . . 0.0 111.801 -171.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -55.3 134.2 62.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.697 2.265 . . . . 0.0 112.486 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 59.62 9.77 1.7 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.29 124.32 6.39 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 120.018 -1.676 . . . . 0.0 113.095 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 m -75.67 -21.02 58.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.948 1.299 . . . . 0.0 112.86 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -75.37 29.03 0.1 Allowed 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.7 m -54.34 143.73 22.58 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.614 1.552 . . . . 0.0 111.458 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -145.07 147.53 32.67 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -71.94 58.8 0.35 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.364 1.066 . . . . 0.0 112.711 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -117.17 23.03 12.13 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.313 1.445 . . . . 0.0 114.156 -169.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.1 144.06 27.57 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.183 1.393 . . . . 0.0 111.814 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.6 m -105.28 129.18 53.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.852 1.661 . . . . 0.0 110.645 173.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -70.07 157.63 37.2 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.935 1.294 . . . . 0.0 114.414 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 tp . . . . . 0 CA--C 1.54 0.566 0 C-N-CA 124.613 1.165 . . . . 0.0 112.697 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.265 0 N-CA-C 113.885 0.314 . . . . 0.0 113.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.13 169.96 14.66 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.551 1.541 . . . . 0.0 111.444 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.9 126.12 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -75.44 150.79 38.19 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.582 -0.699 . . . . 0.0 111.079 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -56.48 140.08 47.17 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.902 -1.124 . . . . 0.0 111.886 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.9 t30 63.6 4.67 1.89 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -172.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -95.52 158.22 15.55 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.258 -1.526 . . . . 0.0 111.28 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -62.97 140.32 58.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.576 1.151 . . . . 0.0 113.137 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -123.62 13.59 9.37 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.383 2.273 . . . . 0.0 112.4 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -77.12 146.79 36.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.344 1.458 . . . . 0.0 112.294 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m 52.42 43.69 30.67 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.2 1.4 . . . . 0.0 113.315 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t -153.03 147.03 25.43 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.539 -1.351 . . . . 0.0 112.607 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -91.23 -15.68 28.84 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.973 1.309 . . . . 0.0 113.225 -177.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 156.09 26.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.035 -1.041 . . . . 0.0 111.912 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -113.9 174.26 6.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.211 1.404 . . . . 0.0 113.742 -167.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.43 155.97 13.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.264 0.626 . . . . 0.0 111.094 167.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.46 147.61 37.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.954 169.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.15 152.41 22.53 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.44 1.019 . . . . 0.0 114.714 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.1 -39.81 95.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.422 1.889 . . . . 0.0 115.348 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.53 -9.36 22.12 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -172.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 t -82.17 140.25 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.061 1.344 . . . . 0.0 110.698 -172.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.09 158.48 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.997 0.919 . . . . 0.0 113.459 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -89.11 131.32 35.31 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.772 2.029 . . . . 0.0 111.971 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -123.33 144.87 49.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.298 1.039 . . . . 0.0 111.837 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.2 m -120.54 128.88 53.5 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -168.43 166.12 12.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.87 2.468 . . . . 0.0 109.782 168.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m 53.34 80.51 0.29 Allowed Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 125.964 1.706 . . . . 0.0 114.015 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -56.27 -21.55 36.76 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.515 3.477 . . . . 0.0 118.558 -172.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -55.46 118.14 4.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.352 1.061 . . . . 0.0 112.991 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.19 -31.08 0.32 Allowed Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.806 1.669 . . . . 0.0 115.631 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 t -165.73 134.24 3.13 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.824 1.65 . . . . 0.0 111.108 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -73.37 -17.92 61.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 117.117 -1.421 . . . . 0.0 114.429 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 m -151.66 137.55 18.09 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.171 1.35 . . . . 0.0 114.271 -168.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.77 153.09 36.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.476 1.91 . . . . 0.0 111.452 172.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.13 100.94 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -163.37 162.11 24.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.279 1.832 . . . . 0.0 111.536 -167.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 61.29 62.68 1.33 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.389 1.876 . . . . 0.0 113.216 175.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -62.25 162.28 10.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.255 1.422 . . . . 0.0 112.838 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -74.1 109.16 7.37 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.523 1.129 . . . . 0.0 110.475 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -171.554 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.334 0 N-CA-C 114.701 0.64 . . . . 0.0 114.701 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.1 p -159.37 150.11 19.54 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.761 1.624 . . . . 0.0 109.972 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -77.35 127.37 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 118.56 0.618 . . . . 0.0 110.423 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -86.17 158.69 19.7 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -59.05 134.11 56.7 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.211 1.404 . . . . 0.0 112.554 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 56.82 13.42 1.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.035 2.534 . . . . 0.0 115.314 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -82.03 150.64 27.49 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.775 -1.203 . . . . 0.0 111.751 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -61.95 139.35 58.4 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.482 1.113 . . . . 0.0 113.092 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -156.82 57.4 0.54 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 112.191 -171.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.22 -30.8 17.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 175.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -160.29 110.2 1.79 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.775 1.23 . . . . 0.0 110.83 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 t -157.64 -165.57 1.8 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.932 2.093 . . . . 0.0 111.032 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -133.91 20.29 3.81 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 126.574 1.95 . . . . 0.0 113.815 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.73 157.91 44.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.596 1.158 . . . . 0.0 112.731 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -88.9 171.83 9.62 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.702 1.601 . . . . 0.0 113.32 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.0 m -66.76 166.26 13.49 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.5 0.72 . . . . 0.0 111.806 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.9 m -75.16 42.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.921 1.688 . . . . 0.0 114.506 -176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.46 -179.47 47.71 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.244 1.878 . . . . 0.0 112.129 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -84.59 -40.99 16.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.807 1.243 . . . . 0.0 113.788 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.7 -21.62 19.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.497 1.519 . . . . 0.0 112.72 -170.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.62 140.5 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.908 2.083 . . . . 0.0 111.826 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 m -147.77 158.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.4 m -80.64 131.21 35.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.161 0.984 . . . . 0.0 110.776 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -149.06 137.76 21.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.663 1.185 . . . . 0.0 110.631 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.5 m -87.51 99.83 12.32 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -110.58 1.98 18.41 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -168.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.8 m -142.41 87.03 9.59 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.73 1.212 . . . . 0.0 110.461 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -59.11 -8.81 6.88 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.867 3.711 . . . . 0.0 116.987 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -69.53 27.21 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.409 2.283 . . . . 0.0 114.308 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.15 -166.45 31.55 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 126.141 1.829 . . . . 0.0 113.326 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -67.98 -9.69 47.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.495 1.918 . . . . 0.0 113.362 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -48.97 117.35 2.05 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.905 2.482 . . . . 0.0 113.393 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.1 t -152.31 130.9 12.27 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.725 1.61 . . . . 0.0 107.84 170.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -145.94 160.95 41.11 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -166.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -77.17 77.07 3.71 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -147.32 34.05 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 111.822 -168.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -144.43 146.55 32.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.398 2.279 . . . . 0.0 109.952 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -150.93 148.34 28.29 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.383 -0.823 . . . . 0.0 112.852 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -76.46 129.87 37.16 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.796 1.638 . . . . 0.0 110.561 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 CA--C 1.546 0.806 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.836 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.249 0 CA-C-O 120.036 -0.313 . . . . 0.0 113.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.42 154.3 32.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 113.477 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.2 mm -75.4 131.18 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.452 -0.78 . . . . 0.0 111.27 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -89.2 161.49 16.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.422 1.089 . . . . 0.0 112.181 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -54.83 132.49 46.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.239 1.016 . . . . 0.0 112.793 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 61.14 3.7 0.75 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.863 2.465 . . . . 0.0 115.642 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -76.03 163.13 27.45 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 119.762 -1.836 . . . . 0.0 110.946 168.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -71.1 139.84 50.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.216 1.406 . . . . 0.0 113.048 -176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.69 16.49 4.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.114 1.766 . . . . 0.0 113.031 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.76 -26.38 68.33 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 m -149.13 93.49 2.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.088 1.355 . . . . 0.0 110.358 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -163.93 144.87 8.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.031 1.332 . . . . 0.0 112.344 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 p -76.29 -12.38 60.07 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -113.43 176.25 5.11 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -92.05 164.98 13.41 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -68.51 129.43 39.91 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.986 166.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 135.19 56.38 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.922 1.237 . . . . 0.0 111.485 171.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.62 135.96 4.64 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.205 1.86 . . . . 0.0 111.434 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.02 -29.18 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.728 1.211 . . . . 0.0 113.461 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.82 5.99 5.07 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.685 1.594 . . . . 0.0 113.94 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.2 t -70.64 137.86 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 119.756 1.162 . . . . 0.0 110.619 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.44 149.53 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.749 1.22 . . . . 0.0 112.2 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.28 121.33 22.79 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.563 0.745 . . . . 0.0 110.226 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -112.2 98.56 7.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.008 1.723 . . . . 0.0 110.995 -171.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.5 m -88.56 130.26 35.29 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.04 1.336 . . . . 0.0 111.911 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -158.15 -9.11 0.08 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m 49.89 74.54 0.79 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 125.441 1.496 . . . . 0.0 113.947 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.78 -41.03 1.65 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.329 2.019 . . . . 0.0 113.419 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -144.62 -24.06 0.52 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -170.29 -54.52 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 CA-C-N 119.052 0.842 . . . . 0.0 113.683 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.2 m -73.69 120.48 19.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.169 0.984 . . . . 0.0 110.092 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -70.27 -45.11 67.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -168.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.8 m -144.15 142.07 30.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -139.75 150.16 44.46 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.571 1.549 . . . . 0.0 111.916 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.1 m -75.66 51.52 0.61 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.159 1.384 . . . . 0.0 113.052 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -108.73 31.4 5.67 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.542 1.537 . . . . 0.0 113.202 -169.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -154.02 149.6 27.37 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.357 -1.464 . . . . 0.0 112.687 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.2 m -102.7 146.72 27.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.745 1.218 . . . . 0.0 112.051 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -58.38 140.79 53.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.626 1.97 . . . . 0.0 112.712 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 N--CA 1.476 0.837 0 C-N-CA 124.636 1.174 . . . . 0.0 113.799 -178.471 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.481 0 N-CA-C 115.865 1.106 . . . . 0.0 115.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.33 162.59 36.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.046 1.338 . . . . 0.0 112.724 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.4 mm -78.66 136.15 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.902 0.881 . . . . 0.0 110.606 168.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -62.83 156.75 23.19 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.68 1.592 . . . . 0.0 113.889 173.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -75.98 151.32 37.25 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.258 -0.901 . . . . 0.0 111.833 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 55.86 33.97 22.61 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.389 1.475 . . . . 0.0 112.506 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -143.8 151.45 39.96 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.103 1.761 . . . . 0.0 111.479 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 t -72.5 139.1 47.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -90.47 -1.2 57.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.04 -23.07 61.68 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -76.03 -20.91 57.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -154.95 151.78 28.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.942 1.246 . . . . 0.0 113.564 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.3 m -71.25 -18.89 62.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.015 1.326 . . . . 0.0 113.696 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.3 169.14 14.41 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.62 164.29 20.87 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.091 2.156 . . . . 0.0 115.297 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -74.43 153.85 39.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.203 0.601 . . . . 0.0 110.438 168.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.34 156.14 39.71 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.189 -0.944 . . . . 0.0 109.837 167.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.32 120.44 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.719 1.152 . . . . 0.0 111.646 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -65.34 -22.92 66.87 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.08 2.0 52.92 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.9 137.91 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.972 -1.08 . . . . 0.0 112.857 -169.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.52 145.59 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 125.475 1.51 . . . . 0.0 110.903 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 t -73.12 132.85 43.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.535 -0.728 . . . . 0.0 110.066 170.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -127.82 123.34 34.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.156 1.382 . . . . 0.0 112.45 -169.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.61 119.87 26.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.713 -0.617 . . . . 0.0 110.604 171.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -98.24 -25.05 15.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 0.0 112.201 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -76.86 140.23 66.92 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.67 0.788 . . . . 0.0 111.952 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -65.95 -18.69 57.72 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.045 2.497 . . . . 0.0 114.747 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -129.42 165.04 22.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.009 2.124 . . . . 0.0 110.234 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.48 140.82 0.85 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.918 1.247 . . . . 0.0 114.577 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 p -85.43 15.52 4.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.872 1.269 . . . . 0.0 113.634 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -70.78 58.45 0.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.262 2.225 . . . . 0.0 112.163 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.7 m -78.71 146.76 33.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.826 1.251 . . . . 0.0 110.972 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -117.97 133.07 56.27 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.563 1.945 . . . . 0.0 111.209 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.47 87.55 0.65 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.459 1.027 . . . . 0.0 109.613 170.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.81 14.46 0.93 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.269 1.427 . . . . 0.0 112.908 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -143.43 140.87 30.61 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.463 1.105 . . . . 0.0 112.333 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -109.93 127.27 54.64 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 126.212 1.805 . . . . 0.0 109.606 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -74.61 139.44 43.65 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.036 0.934 . . . . 0.0 110.783 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 124.456 1.103 . . . . 0.0 112.756 176.148 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 CA-C-O 119.956 -0.358 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 p -65.88 162.54 18.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.862 1.265 . . . . 0.0 113.497 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.69 131.46 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.507 1.123 . . . . 0.0 110.651 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -80.22 162.48 24.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.788 1.235 . . . . 0.0 113.106 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -56.17 141.05 42.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.185 0.994 . . . . 0.0 112.441 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . 0.27 7.3 m-80 57.98 10.72 1.23 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -79.25 162.73 25.48 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.972 0.805 . . . . 0.0 111.932 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -68.36 130.86 44.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.668 0.787 . . . . 0.0 112.32 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.4 p -119.4 20.05 12.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.952 1.701 . . . . 0.0 111.634 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 126.14 28.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.609 1.163 . . . . 0.0 111.576 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m 44.39 55.77 5.43 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.291 1.836 . . . . 0.0 113.009 172.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -135.26 146.56 48.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.5 m -84.6 -6.39 59.36 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.113 1.765 . . . . 0.0 112.346 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.05 155.83 22.52 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.564 1.545 . . . . 0.0 112.615 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -118.81 152.23 36.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.914 1.286 . . . . 0.0 113.162 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.7 m -86.51 153.72 21.63 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.234 1.414 . . . . 0.0 113.146 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 m -72.35 133.8 45.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.441 1.097 . . . . 0.0 112.831 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.88 136.7 5.81 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 126.715 2.102 . . . . 0.0 114.091 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -54.92 -39.14 68.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.298 1.439 . . . . 0.0 113.486 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -82.76 -13.03 57.03 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.42 140.88 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 120.14 1.336 . . . . 0.0 111.199 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.41 153.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.208 1.003 . . . . 0.0 112.484 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.25 133.06 41.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.631 0.772 . . . . 0.0 110.499 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -131.49 141.3 49.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.2 1.4 . . . . 0.0 112.188 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 m -115.09 130.58 56.97 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.722 1.209 . . . . 0.0 110.73 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -77.95 -0.35 27.33 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.999 0.92 . . . . 0.0 112.717 169.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -122.24 148.86 53.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.484 1.914 . . . . 0.0 113.635 -167.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.55 -20.68 26.76 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.966 3.111 . . . . 0.0 115.072 -170.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -125.44 14.76 8.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 113.494 -175.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.97 74.74 0.95 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.466 1.031 . . . . 0.0 113.868 173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.8 m -118.7 129.46 55.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.084 1.353 . . . . 0.0 110.586 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 47.69 44.27 17.37 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.9 m -67.77 153.47 43.64 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.595 1.158 . . . . 0.0 113.677 -174.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.71 143.69 50.45 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.521 1.528 . . . . 0.0 113.474 -169.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 m -79.86 81.08 6.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.673 -0.642 . . . . 0.0 109.822 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -136.64 28.5 2.97 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.47 1.908 . . . . 0.0 111.918 -172.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -154.59 163.53 40.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.294 1.438 . . . . 0.0 111.775 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.0 p -131.49 146.17 52.11 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -72.53 134.22 45.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.537 1.935 . . . . 0.0 110.877 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 123.415 0.686 . . . . 0.0 111.583 -172.251 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.167 0 CA-C-O 121.335 0.408 . . . . 0.0 114.082 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.86 157.79 17.47 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.973 1.309 . . . . 0.0 113.657 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.37 138.79 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.172 1.389 . . . . 0.0 111.435 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -86.73 159.61 19.1 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -51.31 127.76 20.5 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.98 1.312 . . . . 0.0 113.481 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 m120 61.92 6.92 1.84 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.762 2.825 . . . . 0.0 117.07 -170.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -80.28 157.75 26.34 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.007 1.73 . . . . 0.0 112.009 173.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 t -65.28 132.88 50.19 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.016 0.926 . . . . 0.0 111.834 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.1 t -135.71 55.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.674 1.99 . . . . 0.0 109.701 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -121.88 136.88 54.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.046 1.338 . . . . 0.0 112.146 -168.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m 56.96 50.91 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.681 1.193 . . . . 0.0 111.023 174.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 t -145.2 154.07 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.877 1.271 . . . . 0.0 112.022 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.6 p -74.35 -12.91 60.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.646 1.578 . . . . 0.0 113.732 168.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -78.19 166.03 23.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.954 1.701 . . . . 0.0 114.835 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -126.31 168.95 13.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.457 1.903 . . . . 0.0 113.031 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.04 150.99 45.03 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.8 m -65.81 147.78 52.84 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.632 0.773 . . . . 0.0 112.664 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -178.53 34.01 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.196 0.903 . . . . 0.0 112.81 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -109.36 -23.68 11.43 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 113.429 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.7 m -117.88 -6.98 10.98 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.39 139.97 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.453 1.479 . . . . 0.0 110.472 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.4 m -140.87 152.58 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.568 1.147 . . . . 0.0 113.319 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.1 m -74.3 147.48 42.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.835 0.854 . . . . 0.0 111.719 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -153.77 131.01 11.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.352 1.061 . . . . 0.0 112.47 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.56 117.86 30.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.004 1.322 . . . . 0.0 109.836 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -81.94 15.73 2.16 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -148.25 157.13 42.88 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 126.813 2.045 . . . . 0.0 110.01 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.41 -2.78 12.62 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 123.737 2.958 . . . . 0.0 115.922 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -71.5 -30.03 65.49 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.07 32.15 50.08 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.195 0.902 . . . . 0.0 113.539 -174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 -3.41 6.63 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -130.05 20.67 5.38 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -172.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.4 m -61.02 139.49 58.05 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.1 -1.0 . . . . 0.0 113.236 -170.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.16 153.71 39.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.171 1.789 . . . . 0.0 110.775 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.9 m -74.99 70.67 2.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.348 1.059 . . . . 0.0 111.995 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -122.38 17.48 10.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -144.8 143.65 30.75 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 119.944 -1.723 . . . . 0.0 113.859 -170.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -103.35 138.7 39.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.326 1.051 . . . . 0.0 108.574 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -60.75 137.97 58.15 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.898 1.679 . . . . 0.0 111.269 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.7 tp . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 123.082 0.553 . . . . 0.0 112.364 -176.386 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.34 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.28 179.37 40.78 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-O 121.984 0.769 . . . . 0.0 114.697 -175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -59.33 157.16 11.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.256 1.823 . . . . 0.0 114.788 -174.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.9 mm -74.89 129.66 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.15 0.98 . . . . 0.0 111.362 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -75.54 163.27 27.53 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.272 1.829 . . . . 0.0 113.329 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -63.13 134.45 56.05 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.259 -0.9 . . . . 0.0 112.398 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.9 t30 51.49 27.53 3.89 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.963 2.105 . . . . 0.0 114.124 -173.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -97.27 161.8 13.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.748 1.619 . . . . 0.0 110.08 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -66.23 130.52 43.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.729 0.811 . . . . 0.0 113.116 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 m -65.96 -20.77 66.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.611 1.164 . . . . 0.0 112.793 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.27 38.4 tp60 56.69 5.82 0.24 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 129.978 3.311 . . . . 0.0 117.384 168.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m 60.21 13.07 3.66 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 119.908 -1.745 . . . . 0.0 113.347 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 t -73.07 156.25 38.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.918 1.687 . . . . 0.0 111.058 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -59.28 -24.94 63.68 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.087 0.955 . . . . 0.0 112.895 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.71 132.39 48.0 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.789 1.235 . . . . 0.0 113.689 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -83.21 166.35 18.67 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.194 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -74.75 154.58 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.606 -0.684 . . . . 0.0 112.498 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -68.14 126.17 28.67 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.545 0.738 . . . . 0.0 111.49 -177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.0 129.35 1.16 Allowed Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.132 0.872 . . . . 0.0 112.597 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -59.51 -27.14 65.9 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 113.344 -175.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.17 -24.23 57.85 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.124 1.528 . . . . 0.0 115.124 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -76.1 140.56 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.143 1.338 . . . . 0.0 111.401 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -137.04 149.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.445 1.098 . . . . 0.0 113.51 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.2 t -78.66 146.68 33.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.881 1.672 . . . . 0.0 112.211 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -155.63 141.15 17.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.457 1.503 . . . . 0.0 112.725 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.42 135.43 47.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.461 1.504 . . . . 0.0 110.592 168.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -78.53 -34.61 47.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.513 1.125 . . . . 0.0 112.57 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -77.75 151.37 79.66 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 123.954 0.901 . . . . 0.0 111.027 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.71 -27.59 85.09 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.749 2.966 . . . . 0.0 113.281 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -127.13 137.48 52.98 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.551 1.54 . . . . 0.0 109.083 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.03 156.25 15.43 Favored Glycine 0 CA--C 1.53 0.984 0 CA-C-O 121.435 0.464 . . . . 0.0 114.096 -173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.4 m -130.96 -26.5 2.16 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.796 1.639 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -76.1 35.96 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.425 1.89 . . . . 0.0 113.588 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.4 m -68.54 157.07 36.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.314 1.846 . . . . 0.0 112.768 -169.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -129.22 151.55 49.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 112.358 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.58 78.63 7.3 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.195 0.598 . . . . 0.0 111.65 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -122.09 22.02 10.35 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.587 1.955 . . . . 0.0 112.142 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -145.59 166.81 24.67 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 127.074 2.149 . . . . 0.0 112.053 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -121.91 142.67 50.03 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.905 1.682 . . . . 0.0 110.111 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.9 146.8 25.44 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.713 1.142 . . . . 0.0 112.77 171.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.36 145.29 56.29 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 123.369 0.668 . . . . 0.0 110.8 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 59.8 32.01 21.09 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 127.521 2.329 . . . . 0.0 115.521 -175.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 54.1 t -77.33 112.11 13.71 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.665 -1.272 . . . . 0.0 110.302 169.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 p -82.53 31.21 0.41 Allowed 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 126.024 1.73 . . . . 0.0 114.205 -173.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -76.76 163.61 26.64 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--O 1.251 1.142 0 C-N-CA 127.026 2.13 . . . . 0.0 112.232 -177.129 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.015 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.25 9.17 61.75 Favored Glycine 0 CA--C 1.536 1.406 0 CA-C-O 118.38 -1.233 . . . . 0.0 115.938 -174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 p -54.41 146.86 14.91 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.64 1.72 . . . . 0.0 114.172 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.8 mm -79.83 131.76 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.47 1.108 . . . . 0.0 111.273 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.1 162.38 29.52 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.916 1.286 . . . . 0.0 113.386 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -61.43 138.18 58.26 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.463 0.649 . . . . 0.0 112.493 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.3 t30 58.01 18.76 5.37 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.991 2.116 . . . . 0.0 114.982 -178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -78.95 148.83 32.49 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 119.74 -1.85 . . . . 0.0 111.093 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -68.08 127.62 33.56 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.023 1.329 . . . . 0.0 110.041 170.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 p -143.36 11.47 1.72 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 118.173 2.657 . . . . 0.0 118.173 -165.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -53.43 137.09 36.59 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 120.205 -1.559 . . . . 0.0 112.803 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 p 57.23 5.64 0.29 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 127.199 2.2 . . . . 0.0 116.721 -176.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -65.11 137.76 57.86 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.907 -1.12 . . . . 0.0 112.933 -169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -66.27 -28.89 69.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.892 1.677 . . . . 0.0 113.221 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -100.85 148.5 24.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.586 1.954 . . . . 0.0 111.36 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -76.49 160.31 29.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.997 0.903 . . . . 0.0 112.752 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 82.7 m -73.06 144.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.555 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.7 m -60.43 121.6 12.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.468 0.707 . . . . 0.0 110.62 -174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 -176.35 18.09 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.655 1.121 . . . . 0.0 112.2 -169.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -85.82 -45.59 11.44 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -151.75 53.31 0.82 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.706 1.602 . . . . 0.0 112.685 -175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 t -78.29 148.43 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.239 -0.913 . . . . 0.0 108.636 168.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.91 149.04 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 121.208 -0.932 . . . . 0.0 113.51 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m -71.82 70.19 0.71 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 112.212 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -68.14 137.07 54.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.493 2.317 . . . . 0.0 113.618 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -85.56 115.87 23.52 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.312 0.645 . . . . 0.0 111.261 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -103.8 -12.46 16.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.259 1.824 . . . . 0.0 115.422 -168.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t -154.46 135.85 9.02 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 124.349 1.06 . . . . 0.0 110.908 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -59.79 -27.38 84.81 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.918 2.412 . . . . 0.0 114.859 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -66.09 -31.33 72.14 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.743 -0.598 . . . . 0.0 112.309 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.1 153.55 41.75 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.985 1.278 . . . . 0.0 114.28 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.3 p -130.99 168.72 16.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.116 1.766 . . . . 0.0 108.539 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 53.37 71.78 0.48 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.577 1.151 . . . . 0.0 111.841 -170.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.6 m -58.84 159.15 7.22 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.635 1.574 . . . . 0.0 114.055 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -108.21 141.79 39.44 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 -165.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.97 66.46 0.8 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.318 1.047 . . . . 0.0 113.026 172.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -110.95 4.94 20.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.149 1.38 . . . . 0.0 113.815 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -144.4 144.24 31.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.466 1.107 . . . . 0.0 111.874 -170.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.8 m -73.16 154.54 40.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.62 1.168 . . . . 0.0 111.077 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -55.75 159.72 2.93 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -105.05 -43.73 4.97 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 161.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -128.19 137.52 52.08 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.373 1.869 . . . . 0.0 111.698 170.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.2 t -146.93 157.93 43.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.591 1.156 . . . . 0.0 112.046 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 60.83 21.17 11.32 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.288 1.435 . . . . 0.0 113.025 -177.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -113.75 154.93 26.53 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.137 1.775 . . . . 0.0 112.008 173.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--O 1.256 1.408 0 C-N-CA 126.325 1.85 . . . . 0.0 112.459 179.733 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.936 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.78 -179.88 46.53 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 126.352 1.93 . . . . 0.0 113.013 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.5 p -149.52 149.54 30.9 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.041 1.336 . . . . 0.0 112.469 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.9 mm -78.79 130.61 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.546 1.138 . . . . 0.0 110.321 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -83.91 171.26 13.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 122.162 0.982 . . . . 0.0 113.603 -172.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -58.25 142.39 47.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.176 0.99 . . . . 0.0 113.133 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 66.68 7.52 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.091 2.156 . . . . 0.0 115.586 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -88.04 158.95 18.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.702 1.201 . . . . 0.0 113.136 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -65.89 135.16 54.41 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.05 1.34 . . . . 0.0 113.883 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.3 t -110.26 -8.82 14.69 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.985 2.114 . . . . 0.0 113.607 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -61.79 -25.92 67.77 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -170.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.4 p -134.93 -11.4 2.28 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -168.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -56.96 142.46 41.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.22 1.008 . . . . 0.0 113.475 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.5 p -86.21 -5.73 59.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.837 1.255 . . . . 0.0 113.69 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.45 146.19 36.19 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.901 1.28 . . . . 0.0 111.515 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -69.57 160.38 31.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.46 157.41 34.27 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.459 168.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -65.65 -174.98 0.24 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.367 1.467 . . . . 0.0 113.134 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.56 -124.4 0.02 OUTLIER Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.31 1.434 . . . . 0.0 115.253 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 45.09 32.16 0.85 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.315 1.846 . . . . 0.0 115.144 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.8 t 63.97 15.28 9.07 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 126.598 1.959 . . . . 0.0 115.621 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.08 145.41 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.226 1.41 . . . . 0.0 113.81 -170.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.5 m -141.33 163.16 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 127.972 2.509 . . . . 0.0 111.998 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.9 m -84.05 144.77 28.86 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.862 1.665 . . . . 0.0 112.723 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -143.85 147.14 33.65 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.141 1.376 . . . . 0.0 111.994 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -114.29 133.01 55.96 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.44 1.496 . . . . 0.0 110.688 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -55.14 -33.57 63.01 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -146.71 154.28 47.73 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 126.064 1.746 . . . . 0.0 110.314 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.33 -10.51 27.21 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.458 2.105 . . . . 0.0 114.605 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -100.54 -28.37 12.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.675 1.19 . . . . 0.0 114.19 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.13 135.77 43.09 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 119.089 0.859 . . . . 0.0 113.037 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -84.91 6.66 23.99 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -101.2 129.1 47.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.419 1.488 . . . . 0.0 111.637 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -147.42 133.15 18.92 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.357 1.463 . . . . 0.0 109.693 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.93 150.07 52.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.718 1.207 . . . . 0.0 113.979 -167.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.1 m -78.21 83.2 4.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.183 0.993 . . . . 0.0 110.169 166.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -142.67 26.4 1.75 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.87 2.468 . . . . 0.0 113.339 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -142.91 166.8 23.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.031 1.732 . . . . 0.0 109.926 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.6 p -132.03 148.34 52.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.781 1.232 . . . . 0.0 111.179 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ptt-85 -72.53 160.83 31.65 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.075 -1.016 . . . . 0.0 113.335 -175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.15 -31.31 72.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.636 1.174 . . . . 0.0 114.161 -172.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -122.87 91.77 3.56 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.978 1.311 . . . . 0.0 111.191 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.0 m -72.74 147.77 45.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.359 0.664 . . . . 0.0 111.69 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.8 m -141.37 138.99 33.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.508 1.123 . . . . 0.0 109.919 -175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 pm0 -154.03 166.66 32.32 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.479 1.111 . . . . 0.0 112.775 -169.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 124.341 1.056 . . . . 0.0 113.467 172.569 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.821 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.67 152.15 42.67 Favored Glycine 0 CA--C 1.536 1.396 0 N-CA-C 115.503 0.961 . . . . 0.0 115.503 -174.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -62.18 155.34 24.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.632 1.173 . . . . 0.0 112.275 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.3 mm -69.36 131.35 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.04 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -76.91 160.95 28.79 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.674 -0.641 . . . . 0.0 112.026 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.35 130.56 39.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.996 -1.065 . . . . 0.0 112.789 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 t30 62.08 -5.77 0.16 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 128.033 2.533 . . . . 0.0 117.57 -170.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -73.16 164.14 27.12 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.662 1.573 . . . . 0.0 111.458 169.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -97.61 138.14 35.46 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -172.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.55 2.47 55.67 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.482 1.513 . . . . 0.0 113.427 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.49 -23.02 65.6 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -169.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -89.52 3.14 53.39 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.5 t -152.58 154.38 35.28 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -174.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 t -71.62 -22.48 61.7 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 169.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.42 167.25 22.18 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.282 0.946 . . . . 0.0 111.974 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -137.51 -169.43 2.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -166.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 m -69.54 154.84 41.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.767 1.627 . . . . 0.0 111.426 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 m -72.84 123.21 22.93 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.201 -0.937 . . . . 0.0 110.899 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.77 165.46 10.85 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.987 1.28 . . . . 0.0 114.373 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -79.15 -46.53 17.78 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -169.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.79 6.22 5.09 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.762 1.225 . . . . 0.0 113.92 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.45 132.79 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.051 1.74 . . . . 0.0 110.565 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 m -98.83 156.6 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.1 t -117.22 72.15 0.82 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.529 1.132 . . . . 0.0 107.96 169.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.82 132.17 44.9 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.893 2.477 . . . . 0.0 115.726 -166.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 m -94.1 126.87 39.59 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.521 1.929 . . . . 0.0 111.34 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -78.62 -27.2 45.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.331 1.052 . . . . 0.0 113.112 169.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -141.59 81.7 14.85 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.23 1.412 . . . . 0.0 108.324 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.43 -24.07 33.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 124.131 3.221 . . . . 0.0 117.175 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -66.32 -26.01 67.1 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.765 0.826 . . . . 0.0 113.11 174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.89 177.19 24.28 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.438 1.971 . . . . 0.0 114.028 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.9 p -90.94 95.76 10.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.518 1.127 . . . . 0.0 111.729 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -154.84 6.53 0.26 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.46 117.64 7.6 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.897 1.226 . . . . 0.0 111.691 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -140.18 144.61 36.7 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.775 1.63 . . . . 0.0 113.126 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.9 m -58.31 127.89 34.37 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.076 0.95 . . . . 0.0 113.054 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -155.63 168.12 28.18 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.686 1.594 . . . . 0.0 113.087 -167.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -45.62 131.27 8.91 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 128.022 2.529 . . . . 0.0 114.266 -172.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -66.74 149.5 50.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.861 1.664 . . . . 0.0 114.929 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -63.07 138.56 58.59 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.534 1.533 . . . . 0.0 112.706 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 tp -70.12 -27.11 64.3 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.366 1.066 . . . . 0.0 112.881 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.51 15.52 1.63 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.1 t -123.13 148.33 45.82 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.349 1.86 . . . . 0.0 110.531 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.6 m -69.02 140.28 54.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.687 1.195 . . . . 0.0 113.294 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -72.97 30.15 0.06 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.953 2.901 . . . . 0.0 115.022 -178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 C--O 1.257 1.477 0 C-N-CA 125.243 1.417 . . . . 0.0 113.438 -169.183 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.34 145.42 42.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.042 0.829 . . . . 0.0 112.744 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.1 p -154.79 152.2 29.57 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.892 -0.769 . . . . 0.0 111.821 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -86.4 131.87 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.951 1.3 . . . . 0.0 111.009 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -69.2 162.28 27.43 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.93 1.292 . . . . 0.0 113.161 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -54.6 133.75 46.58 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 112.443 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m120 53.39 16.01 0.8 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.669 2.388 . . . . 0.0 115.584 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -86.53 148.62 25.43 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.359 -0.838 . . . . 0.0 111.915 169.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -79.78 125.86 30.22 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.541 1.136 . . . . 0.0 113.408 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m -73.72 16.7 0.19 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.271 1.828 . . . . 0.0 114.638 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -57.85 141.98 47.36 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.757 -1.214 . . . . 0.0 112.55 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.279 13.6 p 66.96 11.82 8.59 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.764 2.826 . . . . 0.0 118.232 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -141.95 159.96 41.17 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.887 1.221 . . . . 0.0 113.897 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.1 p -91.15 13.92 15.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.791 1.236 . . . . 0.0 113.204 169.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.88 153.7 41.71 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 120.887 -1.133 . . . . 0.0 112.321 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -91.0 163.46 14.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.434 1.494 . . . . 0.0 112.021 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.7 m -65.16 155.71 34.04 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.227 1.011 . . . . 0.0 111.838 170.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.8 m -71.62 42.26 0.08 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.25 151.69 23.0 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.289 1.423 . . . . 0.0 112.29 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -53.51 -32.39 50.23 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -132.49 -0.07 3.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 113.661 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.03 142.14 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.04 0.936 . . . . 0.0 110.309 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 m -135.34 153.25 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -173.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.6 m -72.19 84.37 1.03 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.122 2.169 . . . . 0.0 111.517 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -73.02 115.78 12.75 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.927 -1.108 . . . . 0.0 112.304 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.6 m -79.21 80.97 5.53 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.9 1.28 . . . . 0.0 111.006 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -68.36 -31.5 70.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.466 1.106 . . . . 0.0 113.59 -172.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -131.96 149.67 73.98 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 124.421 1.089 . . . . 0.0 112.514 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.97 -8.61 20.26 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.654 2.903 . . . . 0.0 113.736 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -72.24 122.02 20.37 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.744 1.618 . . . . 0.0 111.039 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.3 -133.69 24.67 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.796 1.188 . . . . 0.0 113.758 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 m -110.7 57.72 0.62 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.428 1.491 . . . . 0.0 109.732 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -73.43 63.06 0.76 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.45 1.1 . . . . 0.0 112.042 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.7 m -113.38 96.03 5.68 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.45 1.5 . . . . 0.0 110.088 -172.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.39 144.62 26.96 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.989 1.315 . . . . 0.0 113.405 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -68.49 90.97 0.39 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.904 0.482 . . . . 0.0 111.409 171.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -142.88 -10.58 0.78 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -136.64 163.79 29.74 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.174 1.39 . . . . 0.0 111.162 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.1 m -134.47 133.54 40.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.142 0.977 . . . . 0.0 111.704 -168.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.87 136.02 57.63 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.825 1.25 . . . . 0.0 111.932 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -89.92 -5.5 56.69 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 169.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -134.51 113.31 11.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.833 1.653 . . . . 0.0 110.524 168.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.5 p -162.73 143.19 9.62 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -171.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.5 m -66.65 125.83 27.04 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.847 0.859 . . . . 0.0 110.228 172.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -119.91 -16.66 8.64 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.6 t0 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 126.166 1.787 . . . . 0.0 112.757 -172.852 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.28 -162.37 9.42 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.114 1.34 . . . . 0.0 112.944 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.2 p -55.43 152.35 8.88 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.99 1.316 . . . . 0.0 113.691 -177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.7 mm -63.95 140.11 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.278 1.431 . . . . 0.0 110.83 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.56 161.85 29.34 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.582 1.153 . . . . 0.0 113.453 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -50.52 127.69 18.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.019 1.328 . . . . 0.0 113.307 -171.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.92 16.08 1.97 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.107 1.892 . . . . 0.0 116.107 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -80.6 169.36 17.75 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 120.265 1.393 . . . . 0.0 114.053 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t -67.06 145.55 55.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.329 1.052 . . . . 0.0 112.811 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.6 t -148.98 92.84 2.02 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.51 1.524 . . . . 0.0 110.134 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -149.62 147.29 27.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.882 0.873 . . . . 0.0 112.733 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m 64.84 -44.89 0.33 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.532 2.733 . . . . 0.0 115.077 -173.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -54.09 150.54 8.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.268 1.427 . . . . 0.0 113.421 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.4 t -72.11 -21.3 61.51 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.235 1.014 . . . . 0.0 112.574 171.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.98 164.67 26.33 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 113.334 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -138.9 174.4 10.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.244 1.418 . . . . 0.0 112.356 172.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.1 m -74.84 150.95 39.07 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 122.06 0.933 . . . . 0.0 112.382 175.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -67.47 149.9 49.6 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.308 1.043 . . . . 0.0 112.52 -169.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.79 -156.63 30.3 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.896 1.236 . . . . 0.0 113.126 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -117.35 -37.3 3.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.337 1.855 . . . . 0.0 113.201 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.1 m -65.79 -38.86 90.13 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.3 t -81.79 141.53 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.305 1.042 . . . . 0.0 111.307 -175.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 m -121.92 141.97 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.85 . . . . 0.0 112.458 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.8 m -69.49 65.22 0.18 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.001 2.12 . . . . 0.0 111.639 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -65.68 122.73 17.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.372 1.469 . . . . 0.0 114.537 -169.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.5 m -87.32 86.64 7.27 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 122.401 1.096 . . . . 0.0 110.641 169.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -60.52 -26.85 67.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.527 1.931 . . . . 0.0 114.713 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.3 m -131.95 135.31 26.43 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 119.335 0.971 . . . . 0.0 111.801 -171.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -55.3 134.2 62.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.697 2.265 . . . . 0.0 112.486 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 59.62 9.77 1.7 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.29 124.32 6.39 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 120.018 -1.676 . . . . 0.0 113.095 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 m -75.67 -21.02 58.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.948 1.299 . . . . 0.0 112.86 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -75.37 29.03 0.1 Allowed 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.7 m -54.34 143.73 22.58 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.614 1.552 . . . . 0.0 111.458 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -145.07 147.53 32.67 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -167.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -71.94 58.8 0.35 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.364 1.066 . . . . 0.0 112.711 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -117.17 23.03 12.13 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.313 1.445 . . . . 0.0 114.156 -169.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.1 144.06 27.57 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.183 1.393 . . . . 0.0 111.814 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.6 m -105.28 129.18 53.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.852 1.661 . . . . 0.0 110.645 173.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -70.07 157.63 37.2 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.935 1.294 . . . . 0.0 114.414 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 tp -57.19 -45.68 83.53 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.613 1.165 . . . . 0.0 112.697 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -83.58 21.85 1.16 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.1 t -54.67 -33.46 60.82 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.486 -1.384 . . . . 0.0 113.645 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.1 p -76.52 -0.75 24.21 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.56 138.1 48.56 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 120.233 1.378 . . . . 0.0 111.625 172.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 . . . . . 0 C--O 1.248 0.99 0 C-N-CA 125.903 1.681 . . . . 0.0 112.512 174.817 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.093 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.28 -111.88 3.42 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.338 0.971 . . . . 0.0 113.885 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.13 169.96 14.66 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.551 1.541 . . . . 0.0 111.444 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.9 126.12 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -75.44 150.79 38.19 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.582 -0.699 . . . . 0.0 111.079 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -56.48 140.08 47.17 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.902 -1.124 . . . . 0.0 111.886 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.9 t30 63.6 4.67 1.89 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 -172.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -95.52 158.22 15.55 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.258 -1.526 . . . . 0.0 111.28 168.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -62.97 140.32 58.85 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.576 1.151 . . . . 0.0 113.137 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.4 p -123.62 13.59 9.37 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.383 2.273 . . . . 0.0 112.4 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -77.12 146.79 36.95 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.344 1.458 . . . . 0.0 112.294 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m 52.42 43.69 30.67 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.2 1.4 . . . . 0.0 113.315 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t -153.03 147.03 25.43 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.539 -1.351 . . . . 0.0 112.607 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.1 m -91.23 -15.68 28.84 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.973 1.309 . . . . 0.0 113.225 -177.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.45 156.09 26.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.035 -1.041 . . . . 0.0 111.912 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -113.9 174.26 6.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.211 1.404 . . . . 0.0 113.742 -167.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.43 155.97 13.9 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.264 0.626 . . . . 0.0 111.094 167.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.46 147.61 37.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.954 169.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.15 152.41 22.53 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.44 1.019 . . . . 0.0 114.714 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.1 -39.81 95.79 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.422 1.889 . . . . 0.0 115.348 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.53 -9.36 22.12 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -172.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 t -82.17 140.25 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.061 1.344 . . . . 0.0 110.698 -172.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 m -145.09 158.48 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.997 0.919 . . . . 0.0 113.459 -169.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.9 t -89.11 131.32 35.31 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.772 2.029 . . . . 0.0 111.971 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -123.33 144.87 49.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.298 1.039 . . . . 0.0 111.837 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.2 m -120.54 128.88 53.5 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -169.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -168.43 166.12 12.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.87 2.468 . . . . 0.0 109.782 168.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 m 53.34 80.51 0.29 Allowed Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 125.964 1.706 . . . . 0.0 114.015 176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -56.27 -21.55 36.76 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 124.515 3.477 . . . . 0.0 118.558 -172.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -55.46 118.14 4.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.352 1.061 . . . . 0.0 112.991 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.19 -31.08 0.32 Allowed Glycine 0 CA--C 1.542 1.743 0 C-N-CA 125.806 1.669 . . . . 0.0 115.631 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 t -165.73 134.24 3.13 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.824 1.65 . . . . 0.0 111.108 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -73.37 -17.92 61.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 117.117 -1.421 . . . . 0.0 114.429 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 m -151.66 137.55 18.09 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.171 1.35 . . . . 0.0 114.271 -168.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.77 153.09 36.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.476 1.91 . . . . 0.0 111.452 172.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.13 100.94 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -163.37 162.11 24.81 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.279 1.832 . . . . 0.0 111.536 -167.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 61.29 62.68 1.33 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.389 1.876 . . . . 0.0 113.216 175.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -62.25 162.28 10.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.255 1.422 . . . . 0.0 112.838 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -74.1 109.16 7.37 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.523 1.129 . . . . 0.0 110.475 173.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.79 -22.51 64.27 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -115.54 7.63 14.94 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.361 1.065 . . . . 0.0 113.761 -174.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.7 t -68.98 -20.56 64.18 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.221 1.408 . . . . 0.0 114.599 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -69.82 115.74 9.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.891 1.277 . . . . 0.0 111.692 171.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.74 -45.6 24.22 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -172.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.3 t0 . . . . . 0 C--O 1.249 1.053 0 C-N-CA 125.721 1.608 . . . . 0.0 113.646 -177.19 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.64 84.91 0.97 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.148 1.356 . . . . 0.0 114.701 -174.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.1 p -159.37 150.11 19.54 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.761 1.624 . . . . 0.0 109.972 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -77.35 127.37 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 118.56 0.618 . . . . 0.0 110.423 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -86.17 158.69 19.7 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -59.05 134.11 56.7 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.211 1.404 . . . . 0.0 112.554 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 56.82 13.42 1.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 128.035 2.534 . . . . 0.0 115.314 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -82.03 150.64 27.49 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.775 -1.203 . . . . 0.0 111.751 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -61.95 139.35 58.4 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.482 1.113 . . . . 0.0 113.092 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -156.82 57.4 0.54 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.509 1.123 . . . . 0.0 112.191 -171.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -90.22 -30.8 17.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 175.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -160.29 110.2 1.79 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.775 1.23 . . . . 0.0 110.83 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 t -157.64 -165.57 1.8 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.932 2.093 . . . . 0.0 111.032 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -133.91 20.29 3.81 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 126.574 1.95 . . . . 0.0 113.815 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.73 157.91 44.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.596 1.158 . . . . 0.0 112.731 -178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -88.9 171.83 9.62 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.702 1.601 . . . . 0.0 113.32 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.0 m -66.76 166.26 13.49 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.5 0.72 . . . . 0.0 111.806 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.9 m -75.16 42.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.921 1.688 . . . . 0.0 114.506 -176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.46 -179.47 47.71 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.244 1.878 . . . . 0.0 112.129 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -84.59 -40.99 16.86 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.807 1.243 . . . . 0.0 113.788 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 m -92.7 -21.62 19.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.497 1.519 . . . . 0.0 112.72 -170.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.62 140.5 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.908 2.083 . . . . 0.0 111.826 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 m -147.77 158.09 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.4 m -80.64 131.21 35.46 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.161 0.984 . . . . 0.0 110.776 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -149.06 137.76 21.16 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.663 1.185 . . . . 0.0 110.631 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.5 m -87.51 99.83 12.32 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -110.58 1.98 18.41 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -168.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.8 m -142.41 87.03 9.59 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.73 1.212 . . . . 0.0 110.461 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -59.11 -8.81 6.88 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.867 3.711 . . . . 0.0 116.987 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -69.53 27.21 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.409 2.283 . . . . 0.0 114.308 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.15 -166.45 31.55 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 126.141 1.829 . . . . 0.0 113.326 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -67.98 -9.69 47.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.495 1.918 . . . . 0.0 113.362 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -48.97 117.35 2.05 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.905 2.482 . . . . 0.0 113.393 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.1 t -152.31 130.9 12.27 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.725 1.61 . . . . 0.0 107.84 170.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -145.94 160.95 41.11 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -166.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -77.17 77.07 3.71 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -147.32 34.05 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 111.822 -168.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -144.43 146.55 32.53 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.398 2.279 . . . . 0.0 109.952 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -150.93 148.34 28.29 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.383 -0.823 . . . . 0.0 112.852 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -76.46 129.87 37.16 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.796 1.638 . . . . 0.0 110.561 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.0 tp -79.81 142.56 35.2 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 49.35 52.98 13.44 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.951 2.1 . . . . 0.0 114.081 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.5 p -75.24 110.76 9.84 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.055 -1.028 . . . . 0.0 111.561 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.4 p -124.23 -8.25 7.61 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.75 1.62 . . . . 0.0 113.632 -175.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -69.82 172.06 8.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.086 1.355 . . . . 0.0 114.068 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 127.742 2.417 . . . . 0.0 115.061 -169.156 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.877 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.8 117.8 11.82 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-N 118.846 1.323 . . . . 0.0 113.515 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -63.42 154.3 32.54 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.332 1.053 . . . . 0.0 113.477 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.2 mm -75.4 131.18 35.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.452 -0.78 . . . . 0.0 111.27 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -89.2 161.49 16.41 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.422 1.089 . . . . 0.0 112.181 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -54.83 132.49 46.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.239 1.016 . . . . 0.0 112.793 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 61.14 3.7 0.75 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.863 2.465 . . . . 0.0 115.642 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -76.03 163.13 27.45 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 119.762 -1.836 . . . . 0.0 110.946 168.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -71.1 139.84 50.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.216 1.406 . . . . 0.0 113.048 -176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.69 16.49 4.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.114 1.766 . . . . 0.0 113.031 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.76 -26.38 68.33 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.8 m -149.13 93.49 2.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.088 1.355 . . . . 0.0 110.358 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -163.93 144.87 8.67 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.031 1.332 . . . . 0.0 112.344 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 p -76.29 -12.38 60.07 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -113.43 176.25 5.11 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -92.05 164.98 13.41 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.9 m -68.51 129.43 39.91 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.986 166.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.85 135.19 56.38 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.922 1.237 . . . . 0.0 111.485 171.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.62 135.96 4.64 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 126.205 1.86 . . . . 0.0 111.434 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.02 -29.18 69.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.728 1.211 . . . . 0.0 113.461 -172.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.82 5.99 5.07 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.685 1.594 . . . . 0.0 113.94 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.2 t -70.64 137.86 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 119.756 1.162 . . . . 0.0 110.619 171.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.44 149.53 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.749 1.22 . . . . 0.0 112.2 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.3 t -76.28 121.33 22.79 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.563 0.745 . . . . 0.0 110.226 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -112.2 98.56 7.4 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.008 1.723 . . . . 0.0 110.995 -171.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.5 m -88.56 130.26 35.29 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.04 1.336 . . . . 0.0 111.911 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -158.15 -9.11 0.08 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.375 1.62 . . . . 0.0 115.375 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m 49.89 74.54 0.79 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 125.441 1.496 . . . . 0.0 113.947 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.78 -41.03 1.65 Allowed 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.329 2.019 . . . . 0.0 113.419 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -144.62 -24.06 0.52 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -170.29 -54.52 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 CA-C-N 119.052 0.842 . . . . 0.0 113.683 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.2 m -73.69 120.48 19.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.169 0.984 . . . . 0.0 110.092 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -70.27 -45.11 67.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -168.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.8 m -144.15 142.07 30.34 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -139.75 150.16 44.46 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.571 1.549 . . . . 0.0 111.916 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.1 m -75.66 51.52 0.61 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.159 1.384 . . . . 0.0 113.052 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -108.73 31.4 5.67 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.542 1.537 . . . . 0.0 113.202 -169.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -154.02 149.6 27.37 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.357 -1.464 . . . . 0.0 112.687 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.2 m -102.7 146.72 27.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.745 1.218 . . . . 0.0 112.051 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -58.38 140.79 53.02 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.626 1.97 . . . . 0.0 112.712 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.16 -29.92 70.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.636 1.174 . . . . 0.0 113.799 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.38 123.05 30.73 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.976 1.711 . . . . 0.0 109.187 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 t -134.93 147.28 49.76 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.359 1.064 . . . . 0.0 112.077 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 m -141.82 123.02 14.72 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.678 1.591 . . . . 0.0 109.073 169.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -145.68 -62.38 0.33 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.741 1.216 . . . . 0.0 111.608 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.0 t0 . . . . . 0 C--O 1.254 1.299 0 C-N-CA 125.266 1.426 . . . . 0.0 114.533 -173.266 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.23 6.49 79.42 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.397 1.475 . . . . 0.0 115.865 -176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.33 162.59 36.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.046 1.338 . . . . 0.0 112.724 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.4 mm -78.66 136.15 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.902 0.881 . . . . 0.0 110.606 168.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -62.83 156.75 23.19 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.68 1.592 . . . . 0.0 113.889 173.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -75.98 151.32 37.25 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.258 -0.901 . . . . 0.0 111.833 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 55.86 33.97 22.61 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.389 1.475 . . . . 0.0 112.506 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -143.8 151.45 39.96 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.103 1.761 . . . . 0.0 111.479 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.8 t -72.5 139.1 47.43 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -90.47 -1.2 57.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.04 -23.07 61.68 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -76.03 -20.91 57.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -154.95 151.78 28.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.942 1.246 . . . . 0.0 113.564 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.3 m -71.25 -18.89 62.42 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.015 1.326 . . . . 0.0 113.696 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.3 169.14 14.41 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.62 164.29 20.87 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.091 2.156 . . . . 0.0 115.297 -168.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 m -74.43 153.85 39.02 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.203 0.601 . . . . 0.0 110.438 168.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -70.34 156.14 39.71 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.189 -0.944 . . . . 0.0 109.837 167.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.32 120.44 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.719 1.152 . . . . 0.0 111.646 -171.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -65.34 -22.92 66.87 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -171.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.08 2.0 52.92 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.9 137.91 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 O-C-N 120.972 -1.08 . . . . 0.0 112.857 -169.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.5 m -126.52 145.59 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 125.475 1.51 . . . . 0.0 110.903 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 t -73.12 132.85 43.78 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.535 -0.728 . . . . 0.0 110.066 170.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -127.82 123.34 34.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.156 1.382 . . . . 0.0 112.45 -169.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.61 119.87 26.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.713 -0.617 . . . . 0.0 110.604 171.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -98.24 -25.05 15.0 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 0.0 112.201 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 p -76.86 140.23 66.92 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.67 0.788 . . . . 0.0 111.952 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -65.95 -18.69 57.72 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.045 2.497 . . . . 0.0 114.747 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -129.42 165.04 22.35 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.009 2.124 . . . . 0.0 110.234 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.48 140.82 0.85 Allowed Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.918 1.247 . . . . 0.0 114.577 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.8 p -85.43 15.52 4.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.872 1.269 . . . . 0.0 113.634 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -70.78 58.45 0.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.262 2.225 . . . . 0.0 112.163 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.7 m -78.71 146.76 33.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.826 1.251 . . . . 0.0 110.972 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -117.97 133.07 56.27 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.563 1.945 . . . . 0.0 111.209 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.47 87.55 0.65 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.459 1.027 . . . . 0.0 109.613 170.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.81 14.46 0.93 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.269 1.427 . . . . 0.0 112.908 -169.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -143.43 140.87 30.61 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.463 1.105 . . . . 0.0 112.333 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -109.93 127.27 54.64 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 126.212 1.805 . . . . 0.0 109.606 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -74.61 139.44 43.65 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.036 0.934 . . . . 0.0 110.783 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.35 173.82 6.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.456 1.103 . . . . 0.0 112.756 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 56.73 32.35 21.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.945 1.698 . . . . 0.0 112.482 -170.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.3 t -149.01 110.72 4.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.188 1.395 . . . . 0.0 111.621 -174.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.1 p -98.42 -4.08 35.43 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.502 1.921 . . . . 0.0 114.109 -169.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.31 140.42 58.87 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.184 -0.947 . . . . 0.0 111.933 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.1 p-10 . . . . . 0 C--O 1.247 0.933 0 C-N-CA 125.91 1.684 . . . . 0.0 112.734 174.726 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.02 -120.96 5.75 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 118.436 1.118 . . . . 0.0 113.079 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 p -65.88 162.54 18.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.862 1.265 . . . . 0.0 113.497 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -78.69 131.46 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.507 1.123 . . . . 0.0 110.651 176.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -80.22 162.48 24.64 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.788 1.235 . . . . 0.0 113.106 -174.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -56.17 141.05 42.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.185 0.994 . . . . 0.0 112.441 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . 0.27 7.3 m-80 57.98 10.72 1.23 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -79.25 162.73 25.48 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.972 0.805 . . . . 0.0 111.932 169.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -68.36 130.86 44.15 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.668 0.787 . . . . 0.0 112.32 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.4 p -119.4 20.05 12.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.952 1.701 . . . . 0.0 111.634 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -67.1 126.14 28.24 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.609 1.163 . . . . 0.0 111.576 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m 44.39 55.77 5.43 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.291 1.836 . . . . 0.0 113.009 172.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -135.26 146.56 48.69 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.5 m -84.6 -6.39 59.36 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.113 1.765 . . . . 0.0 112.346 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.05 155.83 22.52 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.564 1.545 . . . . 0.0 112.615 178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -118.81 152.23 36.59 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.914 1.286 . . . . 0.0 113.162 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.7 m -86.51 153.72 21.63 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.234 1.414 . . . . 0.0 113.146 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.3 m -72.35 133.8 45.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.441 1.097 . . . . 0.0 112.831 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.88 136.7 5.81 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 126.715 2.102 . . . . 0.0 114.091 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -54.92 -39.14 68.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.298 1.439 . . . . 0.0 113.486 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -82.76 -13.03 57.03 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.42 140.88 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 120.14 1.336 . . . . 0.0 111.199 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.41 153.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.208 1.003 . . . . 0.0 112.484 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.25 133.06 41.45 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.631 0.772 . . . . 0.0 110.499 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -131.49 141.3 49.74 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.2 1.4 . . . . 0.0 112.188 -175.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 m -115.09 130.58 56.97 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.722 1.209 . . . . 0.0 110.73 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -77.95 -0.35 27.33 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.999 0.92 . . . . 0.0 112.717 169.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -122.24 148.86 53.28 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 126.484 1.914 . . . . 0.0 113.635 -167.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.55 -20.68 26.76 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.966 3.111 . . . . 0.0 115.072 -170.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -125.44 14.76 8.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.452 1.101 . . . . 0.0 113.494 -175.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.97 74.74 0.95 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.466 1.031 . . . . 0.0 113.868 173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.8 m -118.7 129.46 55.29 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.084 1.353 . . . . 0.0 110.586 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 47.69 44.27 17.37 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.9 m -67.77 153.47 43.64 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.595 1.158 . . . . 0.0 113.677 -174.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.71 143.69 50.45 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.521 1.528 . . . . 0.0 113.474 -169.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 m -79.86 81.08 6.18 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.673 -0.642 . . . . 0.0 109.822 168.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -136.64 28.5 2.97 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.47 1.908 . . . . 0.0 111.918 -172.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -154.59 163.53 40.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.294 1.438 . . . . 0.0 111.775 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.0 p -131.49 146.17 52.11 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -72.53 134.22 45.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.537 1.935 . . . . 0.0 110.877 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt -67.34 -58.36 4.94 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.415 0.686 . . . . 0.0 111.583 -172.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.84 40.32 1.02 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.77 1.228 . . . . 0.0 113.391 -175.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.7 p -70.91 7.82 1.07 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.8 p -122.93 1.28 9.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.273 1.429 . . . . 0.0 112.814 169.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.78 131.96 46.02 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.18 0.9 . . . . 0.0 110.22 174.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 . . . . . 0 C--O 1.256 1.438 0 C-N-CA 125.272 1.429 . . . . 0.0 114.238 -177.479 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.9 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.3 138.7 6.87 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.49 1.043 . . . . 0.0 114.082 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.86 157.79 17.47 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.973 1.309 . . . . 0.0 113.657 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.37 138.79 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.172 1.389 . . . . 0.0 111.435 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -86.73 159.61 19.1 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -51.31 127.76 20.5 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.98 1.312 . . . . 0.0 113.481 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.2 m120 61.92 6.92 1.84 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.762 2.825 . . . . 0.0 117.07 -170.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -80.28 157.75 26.34 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.007 1.73 . . . . 0.0 112.009 173.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 t -65.28 132.88 50.19 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.016 0.926 . . . . 0.0 111.834 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.1 t -135.71 55.69 1.86 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.674 1.99 . . . . 0.0 109.701 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -121.88 136.88 54.95 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.046 1.338 . . . . 0.0 112.146 -168.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m 56.96 50.91 11.36 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.681 1.193 . . . . 0.0 111.023 174.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 t -145.2 154.07 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.877 1.271 . . . . 0.0 112.022 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.6 p -74.35 -12.91 60.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.646 1.578 . . . . 0.0 113.732 168.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 mt -78.19 166.03 23.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.954 1.701 . . . . 0.0 114.835 -175.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -126.31 168.95 13.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.457 1.903 . . . . 0.0 113.031 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.04 150.99 45.03 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.8 m -65.81 147.78 52.84 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.632 0.773 . . . . 0.0 112.664 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.55 -178.53 34.01 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.196 0.903 . . . . 0.0 112.81 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -109.36 -23.68 11.43 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.017 1.327 . . . . 0.0 113.429 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.7 m -117.88 -6.98 10.98 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.39 139.97 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.453 1.479 . . . . 0.0 110.472 170.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.4 m -140.87 152.58 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.568 1.147 . . . . 0.0 113.319 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.1 m -74.3 147.48 42.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.835 0.854 . . . . 0.0 111.719 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -153.77 131.01 11.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.352 1.061 . . . . 0.0 112.47 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.0 m -92.56 117.86 30.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.004 1.322 . . . . 0.0 109.836 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -81.94 15.73 2.16 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -148.25 157.13 42.88 Favored Pre-proline 0 N--CA 1.48 1.063 0 C-N-CA 126.813 2.045 . . . . 0.0 110.01 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.41 -2.78 12.62 Favored 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 123.737 2.958 . . . . 0.0 115.922 -172.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -71.5 -30.03 65.49 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.07 32.15 50.08 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.195 0.902 . . . . 0.0 113.539 -174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.7 p -126.64 -3.41 6.63 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 -169.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -130.05 20.67 5.38 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -172.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.4 m -61.02 139.49 58.05 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.1 -1.0 . . . . 0.0 113.236 -170.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.16 153.71 39.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.171 1.789 . . . . 0.0 110.775 -171.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.9 m -74.99 70.67 2.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.348 1.059 . . . . 0.0 111.995 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -122.38 17.48 10.57 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -144.8 143.65 30.75 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 119.944 -1.723 . . . . 0.0 113.859 -170.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -103.35 138.7 39.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.326 1.051 . . . . 0.0 108.574 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -60.75 137.97 58.15 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.898 1.679 . . . . 0.0 111.269 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.7 tp -70.9 -53.36 15.38 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.082 0.553 . . . . 0.0 112.364 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -115.8 118.9 34.31 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.299 1.44 . . . . 0.0 109.504 171.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.3 t -127.74 120.78 28.67 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.09 0.956 . . . . 0.0 111.71 -171.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.3 m -70.71 128.76 37.16 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.612 0.765 . . . . 0.0 111.602 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -88.95 -55.57 3.64 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.261 -0.899 . . . . 0.0 112.954 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--O 1.251 1.153 0 C-N-CA 126.523 1.929 . . . . 0.0 113.378 -178.434 . . . . . . . . 0 0 . 1 stop_ save_