data_2keb_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 2keb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.725 0.774 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.15 68.38 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.063 0.945 . . . . 0.0 113.477 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.01 -28.25 68.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.034 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.6 -34.47 30.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.933 0.788 . . . . 0.0 110.895 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -67.71 -43.13 80.78 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.072 0.949 . . . . 0.0 111.006 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.83 66.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.361 1.465 . . . . 0.0 114.389 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.0 -30.87 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.9 0.773 . . . . 0.0 112.589 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -79.55 -39.38 31.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.205 0.602 . . . . 0.0 112.064 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -55.83 -34.47 65.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.537 1.135 . . . . 0.0 112.387 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.69 -19.24 62.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.131 1.372 . . . . 0.0 113.033 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.42 -45.55 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.763 1.165 . . . . 0.0 109.984 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -93.27 -5.98 48.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.829 1.252 . . . . 0.0 113.644 -171.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 28.36 54.18 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.625 1.107 . . . . 0.0 113.458 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -80.76 89.19 5.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.459 1.504 . . . . 0.0 109.773 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.61 110.72 8.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.604 0.762 . . . . 0.0 112.123 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.9 m -134.86 144.56 47.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.136 2.174 . . . . 0.0 110.622 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -79.81 164.1 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.138 0.575 . . . . 0.0 111.082 160.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.17 -38.26 51.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.287 1.035 . . . . 0.0 112.661 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.01 -28.93 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.77 -27.9 22.03 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.043 0.937 . . . . 0.0 112.143 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.13 -47.29 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 119.677 1.126 . . . . 0.0 110.117 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.03 -28.19 69.41 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.606 0.762 . . . . 0.0 112.299 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -59.58 -37.72 79.25 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.674 -1.266 . . . . 0.0 112.449 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.88 -34.25 64.37 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.362 0.983 . . . . 0.0 112.053 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.85 -44.1 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.003 0.82 . . . . 0.0 110.5 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.79 -41.99 83.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.281 173.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.97 -46.61 83.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.336 0.971 . . . . 0.0 111.599 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.8 m -56.1 -39.87 72.82 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.716 1.143 . . . . 0.0 112.21 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -75.36 -42.59 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.028 1.331 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -69.39 -43.1 74.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.544 0.738 . . . . 0.0 112.219 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.71 -17.06 32.59 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.198 0.999 . . . . 0.0 112.95 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.17 58.45 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.249 0.928 . . . . 0.0 111.453 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -127.84 140.64 51.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.467 1.507 . . . . 0.0 110.684 -164.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.26 141.13 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.843 0.857 . . . . 0.0 112.726 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -63.42 -21.3 66.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.931 1.693 . . . . 0.0 115.415 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.03 -22.34 66.79 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.637 1.108 . . . . 0.0 112.569 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.98 -50.42 6.89 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -37.37 84.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.285 1.034 . . . . 0.0 112.637 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -79.58 -44.95 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.621 0.768 . . . . 0.0 111.199 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -44.64 47.53 Favored Glycine 0 N--CA 1.47 0.929 0 CA-C-N 118.993 0.815 . . . . 0.0 114.313 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -76.38 -22.19 55.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 117.833 0.816 . . . . 0.0 112.646 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.35 -28.98 68.41 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.835 1.254 . . . . 0.0 112.675 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.63 -42.96 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.538 0.735 . . . . 0.0 111.004 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.62 84.16 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 112.127 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.58 -47.99 73.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.562 0.745 . . . . 0.0 111.33 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -62.25 -35.34 78.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.2 m -65.05 -47.01 78.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.365 1.066 . . . . 0.0 111.185 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.2 m -64.22 -34.58 78.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.5 p -83.62 -15.02 50.6 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 71.2 7.41 6.12 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 128.306 2.643 . . . . 0.0 113.237 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.55 127.24 32.66 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.722 -1.236 . . . . 0.0 112.707 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.26 -12.17 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 124.517 1.127 . . . . 0.0 113.969 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.68 150.5 20.85 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.275 1.893 . . . . 0.0 112.361 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.66 162.41 13.09 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.613 1.165 . . . . 0.0 112.08 -173.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.3 p -134.49 165.38 25.33 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.747 . . . . 0.0 110.766 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.9 p -59.09 -25.2 63.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.33 -43.29 51.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.888 0.875 . . . . 0.0 111.405 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.5 mt -61.85 -49.35 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-N 119.37 0.987 . . . . 0.0 110.863 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.33 -20.33 61.5 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -72.61 -50.33 26.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.285 0.948 . . . . 0.0 111.049 167.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -64.2 -29.13 70.25 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.095 -1.003 . . . . 0.0 113.369 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -55.04 -30.87 60.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.62 1.168 . . . . 0.0 113.536 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.4 -39.31 90.23 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.29 0.636 . . . . 0.0 112.35 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -91.07 -26.1 19.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.935 1.294 . . . . 0.0 112.873 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.26 -24.42 60.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.549 1.539 . . . . 0.0 112.77 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -148.77 -45.49 0.15 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.9 -48.87 27.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.072 0.851 . . . . 0.0 113.192 -168.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.5 p -68.87 -23.91 64.28 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.037 -1.039 . . . . 0.0 113.259 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 124.565 1.146 . . . . 0.0 113.785 178.863 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.78 71.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.676 1.19 . . . . 0.0 113.66 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -70.92 -27.83 64.07 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -79.6 -29.46 41.17 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.503 0.721 . . . . 0.0 110.702 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.8 -46.18 72.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.425 0.69 . . . . 0.0 110.625 169.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.97 69.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.457 1.103 . . . . 0.0 113.586 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.77 -25.21 68.1 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.292 1.037 . . . . 0.0 112.421 173.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -85.12 -40.82 16.31 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.307 0.958 . . . . 0.0 112.198 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.49 -43.34 64.97 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.189 0.904 . . . . 0.0 112.06 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -9.9 58.77 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.626 1.17 . . . . 0.0 114.031 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -86.06 -41.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.71 1.141 . . . . 0.0 109.915 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -81.29 -21.29 39.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.27 20.23 42.74 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.796 1.188 . . . . 0.0 113.873 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.44 155.87 40.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.803 1.241 . . . . 0.0 111.125 174.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.44 28.36 3.68 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.539 1.135 . . . . 0.0 113.737 -165.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -58.97 128.06 35.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.116 -0.99 . . . . 0.0 110.928 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.02 170.34 14.04 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.223 0.609 . . . . 0.0 111.036 166.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -54.41 -37.35 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.847 0.859 . . . . 0.0 112.522 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.73 -24.3 64.44 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.17 -31.93 14.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.145 0.978 . . . . 0.0 111.867 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.5 -42.76 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.594 1.088 . . . . 0.0 110.364 168.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.31 -31.91 62.03 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 172.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -69.96 -40.11 75.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.23 -36.84 71.97 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.517 1.053 . . . . 0.0 110.868 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.44 -42.87 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 118.46 0.573 . . . . 0.0 111.226 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.25 -43.26 78.52 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.083 0.856 . . . . 0.0 111.687 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.72 -47.53 85.88 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 111.279 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.1 -32.42 68.08 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.867 -1.146 . . . . 0.0 113.315 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.22 -41.01 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.29 1.436 . . . . 0.0 111.765 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -75.77 -36.36 59.85 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.079 0.854 . . . . 0.0 113.054 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -100.53 -10.18 21.3 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.36 3.66 58.21 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.917 1.246 . . . . 0.0 114.442 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -85.18 148.54 26.05 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.563 1.545 . . . . 0.0 110.85 -174.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -67.53 156.3 37.04 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.017 0.913 . . . . 0.0 113.158 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -54.07 -35.66 62.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.188 2.195 . . . . 0.0 113.452 -174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.89 -33.59 70.68 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.798 1.239 . . . . 0.0 113.157 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 -32.97 56.52 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.814 0.721 . . . . 0.0 112.638 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -43.05 22.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.486 1.115 . . . . 0.0 111.235 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.7 t -74.62 -42.98 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.607 0.763 . . . . 0.0 112.476 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -30.48 61.87 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 118.664 0.666 . . . . 0.0 114.047 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -82.75 -18.07 42.03 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.064 0.932 . . . . 0.0 112.986 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -65.27 -23.01 66.93 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.993 -1.067 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.04 -37.17 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.096 0.958 . . . . 0.0 111.436 175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.11 -21.96 66.38 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.004 0.922 . . . . 0.0 112.847 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.54 -66.9 0.78 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.899 0.879 . . . . 0.0 109.339 167.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m -63.45 -37.53 87.65 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -72.51 -32.09 65.87 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.797 . . . . 0.0 111.693 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -75.95 -39.75 55.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.65 0.78 . . . . 0.0 112.529 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 p -78.56 -27.1 45.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 112.758 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.3 m80 78.07 5.1 2.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.685 2.794 . . . . 0.0 112.94 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.01 119.17 12.89 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 111.54 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -83.22 -13.93 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.538 1.135 . . . . 0.0 113.098 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.98 156.27 22.84 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.433 1.492 . . . . 0.0 112.1 172.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.0 139.72 51.96 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.144 1.777 . . . . 0.0 109.485 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 p -145.03 162.6 36.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.669 1.588 . . . . 0.0 110.649 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 m -58.11 -32.51 68.18 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.643 -0.661 . . . . 0.0 112.072 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.96 -39.68 75.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.081 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.6 -44.05 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.912 0.778 . . . . 0.0 110.826 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.23 -31.98 62.82 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.188 0.904 . . . . 0.0 113.231 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -73.44 -26.93 61.16 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.513 1.051 . . . . 0.0 112.59 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.8 t -69.96 -39.24 76.14 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.199 -1.563 . . . . 0.0 111.897 168.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -60.5 -34.78 74.58 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.094 -1.004 . . . . 0.0 113.296 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.66 -44.16 76.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.971 0.508 . . . . 0.0 111.273 171.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -75.8 -26.0 56.89 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -70.03 -25.46 63.58 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.615 1.566 . . . . 0.0 113.429 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -153.36 -39.6 0.1 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.08 -47.28 11.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.638 1.108 . . . . 0.0 112.545 -169.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -16.84 62.79 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 124.542 1.137 . . . . 0.0 113.623 173.601 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.833 0.349 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.62 77.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.531 0.732 . . . . 0.0 112.414 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -74.26 -33.86 63.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.538 0.735 . . . . 0.0 111.338 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -71.76 -35.8 70.21 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.065 0.946 . . . . 0.0 111.371 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.9 -43.6 71.41 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.857 0.863 . . . . 0.0 111.461 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.02 -24.43 66.16 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.15 -33.09 72.86 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.874 0.761 . . . . 0.0 112.217 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.81 -47.32 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.838 0.745 . . . . 0.0 110.15 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.51 -36.77 69.56 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.593 1.157 . . . . 0.0 112.154 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.83 -31.42 72.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.792 1.637 . . . . 0.0 112.939 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.67 -42.98 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 121.436 -0.79 . . . . 0.0 110.844 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -94.82 -2.64 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.75 48.75 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.446 1.022 . . . . 0.0 114.602 172.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.42 94.22 8.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.514 1.157 . . . . 0.0 109.416 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -79.19 51.33 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.542 1.537 . . . . 0.0 112.054 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.3 145.62 54.95 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.015 1.326 . . . . 0.0 112.049 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.97 161.54 29.99 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.545 0.738 . . . . 0.0 111.909 170.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.02 -36.21 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.058 0.943 . . . . 0.0 111.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.39 68.35 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.515 -0.741 . . . . 0.0 112.988 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.96 -35.47 22.02 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.554 0.742 . . . . 0.0 111.78 172.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.32 -46.25 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.869 1.213 . . . . 0.0 110.61 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.8 -34.76 67.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.161 0.984 . . . . 0.0 112.209 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.45 -41.36 96.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.161 0.891 . . . . 0.0 112.661 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.39 -35.93 60.98 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.558 1.072 . . . . 0.0 112.015 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.09 -43.42 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.028 0.831 . . . . 0.0 111.03 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.51 -37.79 87.43 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.698 -0.626 . . . . 0.0 112.097 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.73 -46.75 86.64 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.588 -1.32 . . . . 0.0 111.291 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.8 m -58.34 -33.32 69.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.964 0.905 . . . . 0.0 112.398 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.14 -41.2 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.432 1.093 . . . . 0.0 112.014 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -43.24 23.76 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.75 0.704 . . . . 0.0 112.667 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -88.47 -21.29 24.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.082 0.953 . . . . 0.0 113.215 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.4 3.09 69.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.45 1.024 . . . . 0.0 114.691 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -82.99 151.36 25.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.03 1.332 . . . . 0.0 109.959 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -68.85 164.73 21.34 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -61.19 -35.22 76.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.284 1.434 . . . . 0.0 111.922 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.42 -37.01 76.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.667 1.187 . . . . 0.0 111.945 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.75 64.96 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 123.915 0.769 . . . . 0.0 112.174 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -53.82 38.73 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.926 0.891 . . . . 0.0 110.99 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.92 -39.27 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.16 0.584 . . . . 0.0 112.185 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -41.8 94.22 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.957 0.798 . . . . 0.0 113.298 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.83 -27.09 60.14 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 117.684 0.742 . . . . 0.0 112.382 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.76 -38.47 76.78 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.707 0.685 . . . . 0.0 111.686 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.7 mt -60.15 -46.34 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.137 0.975 . . . . 0.0 110.657 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.01 88.74 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.96 0.504 . . . . 0.0 111.52 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -66.05 -51.8 54.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -68.35 -27.26 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.461 1.028 . . . . 0.0 113.538 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -67.69 -44.32 78.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.989 0.916 . . . . 0.0 110.559 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 t -63.95 -41.38 97.61 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.6 p -79.62 -28.78 40.94 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 70.75 8.57 6.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 127.36 2.264 . . . . 0.0 114.264 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -70.68 152.95 43.3 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.219 -1.551 . . . . 0.0 112.126 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.1 m -76.27 129.26 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.073 0.949 . . . . 0.0 110.617 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.24 -168.5 37.88 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 123.96 0.791 . . . . 0.0 113.74 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 159.56 40.3 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.672 1.589 . . . . 0.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -134.02 167.02 21.39 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.037 1.735 . . . . 0.0 111.372 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -63.66 -21.54 66.43 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -77.77 -43.39 30.89 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.212 1.005 . . . . 0.0 111.049 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.43 -47.06 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.422 -0.799 . . . . 0.0 110.187 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.4 -13.59 61.89 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -79.24 -45.76 19.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.629 1.104 . . . . 0.0 110.818 164.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -63.06 -31.43 72.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.159 0.984 . . . . 0.0 113.091 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -57.84 -29.18 64.76 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.148 1.379 . . . . 0.0 114.034 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.28 -38.8 90.75 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.601 -0.687 . . . . 0.0 111.799 173.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -78.88 -27.14 43.95 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.066 -1.021 . . . . 0.0 112.283 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -67.84 -28.82 67.88 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.029 1.332 . . . . 0.0 113.191 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -151.69 -44.45 0.11 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.41 -42.18 65.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.604 1.093 . . . . 0.0 112.714 -169.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.9 t -74.27 -16.68 60.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.399 1.08 . . . . 0.0 113.29 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 N--CA 1.477 0.897 0 O-C-N 120.671 -1.268 . . . . 0.0 113.492 179.382 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 122.13 0.967 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.94 97.43 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.205 1.002 . . . . 0.0 113.106 -171.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -67.09 -25.82 66.41 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -79.38 -42.69 25.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.99 0.516 . . . . 0.0 111.093 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.11 -40.18 78.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.918 -0.489 . . . . 0.0 111.821 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.78 70.05 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.83 -33.81 76.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 111.502 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -70.99 -44.06 66.73 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.119 0.872 . . . . 0.0 111.277 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.8 mt -54.44 -39.6 67.55 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 123.908 0.883 . . . . 0.0 111.797 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -66.74 -29.79 69.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.51 1.124 . . . . 0.0 113.086 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.44 -42.64 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.55 1.068 . . . . 0.0 111.194 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.74 -11.69 58.11 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 20.85 57.61 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.225 1.393 . . . . 0.0 114.212 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.34 121.41 21.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.608 1.163 . . . . 0.0 110.955 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.83 146.15 35.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.195 0.998 . . . . 0.0 111.187 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.9 p -164.32 -179.76 6.28 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -170.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.74 168.26 23.38 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.854 2.462 . . . . 0.0 108.411 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.73 -38.39 47.17 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.417 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.05 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.42 -33.97 21.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.84 -47.28 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.311 -0.868 . . . . 0.0 110.071 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.1 -34.49 72.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.967 0.907 . . . . 0.0 112.158 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -61.04 -33.11 72.79 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.958 -1.089 . . . . 0.0 113.028 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.34 -39.0 15.72 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.625 1.102 . . . . 0.0 112.479 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.57 -35.03 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 119.528 1.058 . . . . 0.0 111.416 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.36 -37.64 72.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.86 0.864 . . . . 0.0 112.062 171.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.73 -46.58 81.67 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.293 0.951 . . . . 0.0 110.534 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.35 -39.98 77.1 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.495 0.718 . . . . 0.0 112.376 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.75 -40.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.784 1.233 . . . . 0.0 111.601 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -76.95 -44.44 31.4 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.787 0.835 . . . . 0.0 112.903 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.65 -16.02 31.4 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.756 1.222 . . . . 0.0 113.84 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.81 33.58 66.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.883 0.754 . . . . 0.0 112.765 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -120.18 148.9 43.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.14 1.376 . . . . 0.0 111.46 -170.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -65.6 151.11 47.24 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 0.0 113.614 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.12 -39.7 60.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.308 1.843 . . . . 0.0 113.336 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.16 -32.37 73.74 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.705 1.202 . . . . 0.0 111.885 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.64 -21.5 74.76 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.484 1.04 . . . . 0.0 112.869 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.5 mmt -87.81 -61.15 1.78 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.889 0.876 . . . . 0.0 110.455 167.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.8 -40.58 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.183 0.993 . . . . 0.0 112.051 -165.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.77 -32.71 61.02 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 118.584 0.629 . . . . 0.0 113.094 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -78.75 -29.05 44.97 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.695 0.798 . . . . 0.0 111.851 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.21 -30.37 71.43 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.994 0.918 . . . . 0.0 112.085 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.0 mm -58.88 -52.46 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.688 0.677 . . . . 0.0 110.463 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.76 -37.45 79.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.391 0.676 . . . . 0.0 112.167 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.6 -47.35 72.96 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.708 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.31 -42.11 94.89 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.999 0.818 . . . . 0.0 112.257 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.4 m -61.98 -41.76 98.38 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.912 1.285 . . . . 0.0 111.095 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.6 m -68.21 -38.25 81.72 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.5 p -82.61 -24.54 33.82 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.718 0.807 . . . . 0.0 112.659 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.2 m80 85.82 0.16 0.7 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 130.181 3.392 . . . . 0.0 113.121 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -77.38 164.45 25.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.643 1.177 . . . . 0.0 111.956 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.76 150.52 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.837 1.655 . . . . 0.0 110.296 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.82 -11.01 73.26 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.611 1.1 . . . . 0.0 114.527 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.8 mt 69.72 164.63 0.26 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.118 2.567 . . . . 0.0 114.506 167.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 t -175.74 154.94 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.696 2.799 . . . . 0.0 108.322 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -52.8 -37.04 59.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.468 1.107 . . . . 0.0 113.476 -170.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.73 -37.68 79.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.654 1.182 . . . . 0.0 112.514 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.07 -43.34 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.423 -0.798 . . . . 0.0 109.991 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.69 -34.74 72.29 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.455 -0.778 . . . . 0.0 112.759 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.62 -36.8 84.77 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.505 0.722 . . . . 0.0 111.306 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.1 m -70.29 -41.7 73.01 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.286 -0.884 . . . . 0.0 112.279 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -53.99 -33.09 56.14 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.106 1.363 . . . . 0.0 114.056 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.5 -34.37 64.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.841 0.856 . . . . 0.0 112.263 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.48 -5.71 51.29 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.703 1.201 . . . . 0.0 113.375 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.51 -31.83 19.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.419 1.088 . . . . 0.0 112.676 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -140.23 -43.03 0.42 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.2 -40.0 68.18 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.415 1.007 . . . . 0.0 112.658 -169.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.2 p -76.08 -14.54 60.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 124.064 0.946 . . . . 0.0 112.84 -176.445 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.7 -42.75 35.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.953 1.701 . . . . 0.0 114.482 -170.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -67.34 -25.56 66.05 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.246 1.418 . . . . 0.0 112.563 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -93.74 -43.33 8.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.173 . . . . 0.0 111.09 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.41 -44.25 76.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.689 1.196 . . . . 0.0 111.943 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -26.0 63.35 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.86 -22.24 56.4 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.731 0.696 . . . . 0.0 112.799 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.65 -39.51 36.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.2 0.909 . . . . 0.0 111.36 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt -52.68 -46.89 67.45 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.526 0.731 . . . . 0.0 111.956 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.73 -15.91 62.21 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.64 -44.52 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.991 1.269 . . . . 0.0 110.194 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -79.51 -16.08 56.64 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.36 17.85 51.41 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.843 1.211 . . . . 0.0 113.886 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.11 158.8 34.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.575 1.188 . . . . 0.0 111.173 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -145.95 128.18 15.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.804 1.242 . . . . 0.0 110.654 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.0 m -140.2 145.26 37.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.93 1.692 . . . . 0.0 111.062 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -71.84 162.75 28.98 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.837 0.455 . . . . 0.0 110.829 159.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.04 -36.25 62.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.05 65.29 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 mt -89.36 -29.26 19.24 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 0.0 112.296 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 98.3 mt -60.89 -50.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.964 1.256 . . . . 0.0 109.168 166.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.25 -33.72 54.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.194 0.998 . . . . 0.0 112.546 170.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -66.94 -27.05 67.16 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.962 1.255 . . . . 0.0 113.732 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.61 -39.28 18.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.515 1.052 . . . . 0.0 111.754 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.4 t -61.83 -34.27 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.688 0.676 . . . . 0.0 111.616 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.06 -38.6 62.62 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.348 1.459 . . . . 0.0 112.0 171.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.36 -42.91 82.7 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.516 -0.74 . . . . 0.0 110.694 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.5 -36.32 80.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.655 0.782 . . . . 0.0 112.634 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.23 -42.49 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 0.0 111.257 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.84 -49.17 18.76 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.768 1.227 . . . . 0.0 112.739 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.49 -18.73 20.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.408 1.483 . . . . 0.0 113.576 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.91 80.35 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.636 1.112 . . . . 0.0 114.04 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.68 147.42 25.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.767 1.627 . . . . 0.0 110.787 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -65.61 155.34 36.13 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 112.774 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -64.44 -28.09 69.44 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.628 1.171 . . . . 0.0 113.498 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.39 -30.89 71.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.009 0.924 . . . . 0.0 112.133 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.54 -15.68 79.26 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.536 1.541 . . . . 0.0 112.841 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 mmt -87.83 -59.93 2.11 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.085 0.954 . . . . 0.0 109.773 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.76 -43.24 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.819 0.848 . . . . 0.0 111.695 -171.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.79 77.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 119.168 0.895 . . . . 0.0 113.379 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -80.41 -27.14 38.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 117.798 0.799 . . . . 0.0 112.34 175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.99 -33.31 75.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 111.92 173.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.94 -48.32 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.46 0.704 . . . . 0.0 110.77 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.28 94.42 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.87 0.759 . . . . 0.0 112.141 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -62.27 -33.31 74.38 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.194 0.998 . . . . 0.0 112.852 176.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.93 -36.39 21.46 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -69.63 -43.9 71.72 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.904 1.282 . . . . 0.0 111.699 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 p -92.53 -25.77 18.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.534 1.534 . . . . 0.0 113.319 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.7 m80 83.09 20.59 0.2 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.78 2.832 . . . . 0.0 112.423 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -63.47 149.56 45.79 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.601 -1.312 . . . . 0.0 112.626 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.4 132.77 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 109.111 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.64 -177.45 51.53 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.18 0.895 . . . . 0.0 113.541 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.3 mt -136.16 156.94 47.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.667 1.587 . . . . 0.0 111.325 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -172.98 156.59 3.34 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.818 2.447 . . . . 0.0 108.721 -171.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 m -52.53 -31.62 36.46 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.353 1.461 . . . . 0.0 114.543 -169.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.5 -36.87 83.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.087 0.955 . . . . 0.0 112.261 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -72.96 -39.77 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.063 -1.023 . . . . 0.0 110.251 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.68 -33.21 68.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.58 -45.37 93.23 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.597 -0.689 . . . . 0.0 111.283 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.2 m -66.88 -34.14 77.14 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.346 -0.846 . . . . 0.0 112.766 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.53 -33.11 73.27 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.661 1.118 . . . . 0.0 113.471 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.81 -44.36 96.99 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.331 -0.856 . . . . 0.0 111.498 172.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -74.16 -29.33 61.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.936 0.894 . . . . 0.0 112.659 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -68.81 -34.09 74.94 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.356 1.863 . . . . 0.0 112.825 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -144.98 -42.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.73 -39.19 73.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.364 1.438 . . . . 0.0 112.031 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.4 m -68.54 -17.79 64.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 170.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 124.825 1.25 . . . . 0.0 113.995 179.288 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.17 74.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.112 0.965 . . . . 0.0 113.238 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -66.42 -34.02 77.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.92 0.888 . . . . 0.0 112.15 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -74.64 -33.01 62.45 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.977 0.808 . . . . 0.0 111.297 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.3 -47.5 73.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.345 0.658 . . . . 0.0 110.99 169.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.97 76.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.502 1.121 . . . . 0.0 113.047 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.18 -30.66 71.58 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -29.39 55.73 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.6 mt -50.22 -46.37 54.59 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.543 1.137 . . . . 0.0 112.664 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -65.08 -23.77 67.26 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.414 1.085 . . . . 0.0 113.071 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.25 -36.95 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.098 0.959 . . . . 0.0 111.03 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -86.87 -8.63 57.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.224 1.41 . . . . 0.0 113.2 174.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 11.39 74.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.662 1.125 . . . . 0.0 114.12 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.17 162.71 27.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.609 1.164 . . . . 0.0 111.633 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.94 123.03 4.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.974 1.71 . . . . 0.0 109.333 172.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -137.24 150.64 47.99 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.031 1.333 . . . . 0.0 111.574 -172.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -79.39 162.35 25.58 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.771 0.828 . . . . 0.0 111.939 168.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -53.77 -37.67 63.68 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.501 1.12 . . . . 0.0 112.194 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.62 68.29 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.02 -38.97 18.58 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.553 0.741 . . . . 0.0 110.587 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.83 -42.52 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.983 0.913 . . . . 0.0 111.355 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.17 -34.25 66.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.87 0.868 . . . . 0.0 112.335 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -67.8 -29.75 69.01 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.741 1.155 . . . . 0.0 112.98 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.93 -40.45 24.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.968 1.258 . . . . 0.0 111.418 171.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.36 -40.13 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.424 0.689 . . . . 0.0 111.165 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.14 -48.81 61.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 111.564 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.28 -43.51 86.2 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.357 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.29 -39.69 76.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.268 0.94 . . . . 0.0 112.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.02 -41.56 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 111.871 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -73.54 -42.26 61.93 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.89 0.876 . . . . 0.0 112.856 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -95.01 -16.39 22.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.757 1.223 . . . . 0.0 113.652 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.26 7.22 86.86 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.214 1.388 . . . . 0.0 114.466 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.06 142.89 27.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.856 1.263 . . . . 0.0 110.368 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -71.31 158.26 36.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.933 1.349 . . . . 0.0 114.235 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.88 -36.97 68.21 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.587 2.755 . . . . 0.0 113.207 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.05 -28.29 68.96 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.567 1.147 . . . . 0.0 112.695 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.18 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.9 0.762 . . . . 0.0 111.54 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.86 89.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.004 0.922 . . . . 0.0 112.269 177.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -74.69 -42.98 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.013 0.925 . . . . 0.0 111.703 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.83 -42.62 9.62 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 118.804 0.729 . . . . 0.0 114.464 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -75.63 -20.77 58.27 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.651 1.225 . . . . 0.0 112.378 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -28.04 69.71 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.858 1.263 . . . . 0.0 112.43 173.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.05 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.122 0.969 . . . . 0.0 110.936 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.54 75.0 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.118 0.967 . . . . 0.0 112.762 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.32 -44.59 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.315 0.646 . . . . 0.0 111.073 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.3 -42.53 99.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.04 0.936 . . . . 0.0 112.74 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -69.95 -45.23 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.861 0.755 . . . . 0.0 112.123 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.0 t -61.43 -40.31 93.98 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.225 1.01 . . . . 0.0 112.943 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.0 p -80.46 -18.3 49.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.5 m80 71.96 10.67 6.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 128.05 2.54 . . . . 0.0 113.213 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -72.27 157.68 37.26 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.869 1.268 . . . . 0.0 112.923 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.31 148.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.953 1.701 . . . . 0.0 110.254 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 172.04 39.82 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.296 0.95 . . . . 0.0 112.914 -171.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.6 mt -136.15 153.97 51.11 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.423 1.489 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 t -172.49 155.37 3.4 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.346 2.258 . . . . 0.0 109.259 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -54.85 -30.28 57.21 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -164.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.14 -33.6 75.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.794 0.838 . . . . 0.0 112.527 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.3 mt -73.2 -42.71 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.304 1.042 . . . . 0.0 109.844 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.55 -32.32 69.71 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.732 -0.605 . . . . 0.0 112.586 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -66.99 -40.12 87.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.98 0.912 . . . . 0.0 111.613 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -66.14 -40.13 90.36 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.282 -0.886 . . . . 0.0 112.261 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -53.62 -31.28 46.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.216 1.407 . . . . 0.0 114.254 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -54.41 -34.94 62.31 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.994 0.918 . . . . 0.0 112.7 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.27 -15.44 24.49 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 112.76 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.63 -17.85 40.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.541 1.136 . . . . 0.0 113.106 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -152.04 -49.71 0.11 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.51 -44.65 74.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.868 1.213 . . . . 0.0 113.569 -169.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -65.93 -23.98 66.73 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 N--CA 1.473 0.705 0 O-C-N 121.08 -1.013 . . . . 0.0 111.32 173.71 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.96 85.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.409 1.084 . . . . 0.0 112.743 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -70.37 -28.1 64.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.798 0.839 . . . . 0.0 112.311 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -81.43 -27.63 34.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.412 0.685 . . . . 0.0 111.853 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -82.51 -45.21 14.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.033 0.933 . . . . 0.0 112.172 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.09 65.33 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -170.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.16 -33.08 73.81 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.0 -22.85 55.39 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.01 -48.56 64.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.703 1.201 . . . . 0.0 112.205 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -72.12 -11.54 60.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.563 1.145 . . . . 0.0 113.748 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -73.59 -40.17 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.065 0.848 . . . . 0.0 109.939 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.03 -13.88 49.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.907 1.283 . . . . 0.0 113.188 174.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.01 11.95 59.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.21 1.386 . . . . 0.0 114.255 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -74.07 160.32 31.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.561 1.18 . . . . 0.0 111.016 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -153.71 133.44 13.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.417 1.487 . . . . 0.0 109.527 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -130.69 148.07 52.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.895 1.278 . . . . 0.0 111.891 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.12 161.0 29.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.17 0.588 . . . . 0.0 111.135 162.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -55.2 -34.89 64.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.319 1.048 . . . . 0.0 112.583 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.89 -30.71 70.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.638 0.775 . . . . 0.0 112.92 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.07 -34.25 22.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.723 0.809 . . . . 0.0 111.576 174.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.5 -47.06 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.424 1.011 . . . . 0.0 110.082 171.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -56.16 -39.03 71.71 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.478 1.111 . . . . 0.0 111.745 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -58.28 -46.54 85.87 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.529 1.058 . . . . 0.0 112.108 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.14 -38.1 72.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.682 1.128 . . . . 0.0 112.268 176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.06 -41.21 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.38 0.991 . . . . 0.0 110.989 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.22 -37.49 80.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.882 0.765 . . . . 0.0 111.99 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.8 -47.24 81.69 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.85 1.205 . . . . 0.0 110.546 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.7 m -58.04 -36.08 72.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.44 -40.65 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.424 1.09 . . . . 0.0 111.678 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.18 -50.47 10.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.991 0.814 . . . . 0.0 112.855 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -82.36 -19.68 38.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.945 1.298 . . . . 0.0 113.396 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.31 4.11 88.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.249 1.404 . . . . 0.0 114.799 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.88 148.49 25.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.07 1.348 . . . . 0.0 111.202 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.52 151.2 47.77 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -41.89 70.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.411 2.284 . . . . 0.0 113.859 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.29 -21.78 66.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.172 -0.955 . . . . 0.0 113.332 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.84 -44.96 11.17 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.143 0.878 . . . . 0.0 111.138 170.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -44.54 94.88 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.165 0.986 . . . . 0.0 111.524 174.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.35 -41.59 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 118.731 0.696 . . . . 0.0 111.935 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.27 -44.97 32.64 Favored Glycine 0 N--CA 1.469 0.858 0 CA-C-N 118.702 0.683 . . . . 0.0 113.927 -172.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.21 -19.05 61.18 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.471 1.135 . . . . 0.0 112.889 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.92 -26.58 66.92 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.978 0.911 . . . . 0.0 112.284 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.55 -43.64 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.321 1.048 . . . . 0.0 110.738 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 -11.31 54.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.714 1.206 . . . . 0.0 113.725 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -94.43 -65.99 0.95 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.255 1.022 . . . . 0.0 110.741 166.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HG ' HD23 ' A' ' 57' ' ' LEU . 78.0 m -74.93 -38.88 61.66 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -164.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -77.95 -40.81 38.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.053 0.541 . . . . 0.0 110.415 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.0 m -63.81 -41.54 97.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 p -86.87 -7.93 57.75 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 m80 68.74 49.99 0.67 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.95 2.1 . . . . 0.0 112.252 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -70.22 161.19 30.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.583 1.153 . . . . 0.0 113.166 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.28 -17.19 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.57 -149.28 14.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.376 0.989 . . . . 0.0 113.14 -171.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD23 ' HG ' ' A' ' 49' ' ' CYS . 51.0 mt -129.34 142.36 50.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.081 1.752 . . . . 0.0 109.962 175.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -148.54 166.07 29.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.068 1.747 . . . . 0.0 110.342 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 p -57.0 -28.45 62.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -75.17 -40.91 59.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 111.778 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -68.58 -41.37 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.175 -0.953 . . . . 0.0 110.918 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.9 -24.47 55.63 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.461 1.028 . . . . 0.0 113.042 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -66.71 -43.55 84.02 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.336 0.971 . . . . 0.0 111.162 164.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -66.35 -31.42 72.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.258 -0.901 . . . . 0.0 112.641 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.35 -33.23 70.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.473 1.109 . . . . 0.0 112.964 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.82 -45.41 92.72 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.58 0.627 . . . . 0.0 110.807 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.48 -31.72 71.21 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.099 -1.001 . . . . 0.0 112.659 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -71.3 -25.78 62.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.544 1.138 . . . . 0.0 113.735 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -150.36 -48.42 0.13 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.2 -43.61 77.68 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.854 1.206 . . . . 0.0 112.451 -173.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -67.95 -22.28 65.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.095 0.958 . . . . 0.0 112.902 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.7 mttt . . . . . 0 CA--C 1.546 0.796 0 O-C-N 120.854 -1.154 . . . . 0.0 112.854 171.188 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.49 74.05 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.361 -0.837 . . . . 0.0 112.226 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -67.45 -29.25 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.22 1.008 . . . . 0.0 112.092 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.04 -56.91 4.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.875 0.87 . . . . 0.0 110.653 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.34 -33.66 76.36 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.29 -21.5 65.28 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -69.27 -26.84 64.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.03 0.832 . . . . 0.0 112.466 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.65 -35.27 24.71 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.964 0.802 . . . . 0.0 111.827 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.0 -36.09 67.52 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.443 1.019 . . . . 0.0 112.275 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -68.68 -17.68 64.13 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.193 1.397 . . . . 0.0 113.8 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -81.06 -41.82 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.307 0.958 . . . . 0.0 110.84 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -87.03 -13.28 44.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.575 1.15 . . . . 0.0 113.672 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.89 27.93 48.22 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.491 1.043 . . . . 0.0 113.38 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -77.77 101.38 6.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.313 1.445 . . . . 0.0 110.768 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -83.5 46.92 1.2 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.683 1.593 . . . . 0.0 112.167 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.05 143.55 54.26 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.718 1.207 . . . . 0.0 112.369 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.33 154.79 32.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.562 0.745 . . . . 0.0 111.058 167.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.85 -33.32 55.97 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.299 1.04 . . . . 0.0 112.893 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.84 70.17 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.56 -33.72 21.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.501 0.721 . . . . 0.0 111.477 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.03 -46.15 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.038 1.29 . . . . 0.0 109.99 173.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -56.3 -34.62 66.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.637 0.775 . . . . 0.0 112.346 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -65.96 -34.47 78.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.577 1.08 . . . . 0.0 112.911 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.89 -40.36 40.12 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.624 1.102 . . . . 0.0 111.54 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.28 -37.95 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.168 0.587 . . . . 0.0 111.465 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.03 -38.44 70.55 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.083 0.953 . . . . 0.0 112.005 173.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.26 -44.3 92.16 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.036 0.834 . . . . 0.0 110.802 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.13 -34.34 76.18 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.683 0.793 . . . . 0.0 112.278 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.53 -42.12 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.787 1.235 . . . . 0.0 111.515 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -75.71 -50.27 15.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.916 1.286 . . . . 0.0 112.361 -175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -85.33 -23.4 28.09 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.725 1.21 . . . . 0.0 113.373 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 7.6 82.91 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.606 1.098 . . . . 0.0 114.081 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -93.56 147.12 23.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.574 1.55 . . . . 0.0 110.643 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -68.35 147.22 52.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -27.96 53.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.171 1.788 . . . . 0.0 115.447 -174.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.75 -31.2 62.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.133 0.973 . . . . 0.0 113.366 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.84 -25.56 60.02 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.013 0.816 . . . . 0.0 112.964 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -82.88 -52.67 6.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.252 . . . . 0.0 110.884 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -74.58 -41.83 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 112.014 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.35 34.59 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 121.726 -0.609 . . . . 0.0 113.242 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -79.91 -19.17 48.76 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.859 0.83 . . . . 0.0 112.828 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.67 -32.49 73.57 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.055 0.942 . . . . 0.0 112.032 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -46.78 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.391 1.077 . . . . 0.0 111.245 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -33.63 75.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.482 1.113 . . . . 0.0 113.098 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -67.3 -50.04 61.81 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.698 0.799 . . . . 0.0 110.78 173.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.0 m -63.37 -39.1 93.61 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.004 0.922 . . . . 0.0 113.337 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.5 p -71.16 -45.71 62.93 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.507 1.048 . . . . 0.0 112.636 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -64.59 -32.37 73.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.7 p -90.53 -26.67 19.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.418 1.087 . . . . 0.0 113.139 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 71.89 32.11 1.94 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.904 2.082 . . . . 0.0 112.514 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.62 154.55 40.24 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.551 -1.343 . . . . 0.0 113.378 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -76.47 -6.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.82 -163.43 36.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.436 1.493 . . . . 0.0 112.747 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.2 mt -111.81 139.57 47.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.033 1.333 . . . . 0.0 111.369 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -146.61 162.44 38.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.89 2.476 . . . . 0.0 108.853 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 m -55.83 -30.63 61.74 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.84 -32.88 73.72 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.707 1.203 . . . . 0.0 112.505 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.8 mt -76.59 -40.65 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.096 0.958 . . . . 0.0 109.728 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.15 -29.83 64.43 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.691 0.678 . . . . 0.0 112.3 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.51 -45.86 85.43 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.786 0.721 . . . . 0.0 111.176 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -64.33 -34.85 79.09 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.322 -0.861 . . . . 0.0 112.976 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.53 -28.13 65.16 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -56.71 -38.79 72.8 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.415 0.686 . . . . 0.0 112.367 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -88.94 -13.88 37.97 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.794 1.238 . . . . 0.0 112.781 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -88.84 -20.47 24.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.85 1.26 . . . . 0.0 112.979 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -151.32 -43.96 0.11 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.37 -37.57 83.41 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.617 1.099 . . . . 0.0 113.345 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.7 p -71.15 -19.55 62.41 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 124.702 1.201 . . . . 0.0 113.468 -178.361 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -25.79 67.12 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -60.5 -29.8 69.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.077 1.351 . . . . 0.0 112.097 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.51 -32.2 69.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.869 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.72 -40.68 24.91 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.105 0.962 . . . . 0.0 111.0 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.94 67.91 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.273 1.029 . . . . 0.0 113.601 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.68 -29.66 70.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.127 0.971 . . . . 0.0 113.278 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -75.19 -36.66 61.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.398 0.999 . . . . 0.0 112.022 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.4 mt -56.57 -36.08 68.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.917 1.287 . . . . 0.0 112.36 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.79 -14.7 59.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.313 1.045 . . . . 0.0 113.135 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.48 -42.46 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.499 1.045 . . . . 0.0 109.483 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -88.21 -17.94 29.75 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.0 26.38 41.31 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.707 1.146 . . . . 0.0 113.722 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.91 147.32 45.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.888 1.275 . . . . 0.0 111.741 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -105.6 8.93 33.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.749 1.62 . . . . 0.0 113.649 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.3 125.51 23.11 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.844 1.258 . . . . 0.0 112.898 -172.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.81 169.5 18.19 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.182 1.393 . . . . 0.0 112.308 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.42 -37.82 57.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.185 0.994 . . . . 0.0 112.905 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.58 63.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 113.589 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.36 -40.08 11.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.219 1.008 . . . . 0.0 110.862 168.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.92 -47.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.356 1.062 . . . . 0.0 111.322 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.85 -30.17 68.78 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -72.74 -30.36 64.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.979 -1.076 . . . . 0.0 113.14 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.13 -38.89 30.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.83 1.196 . . . . 0.0 111.623 170.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.23 -36.95 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.569 0.748 . . . . 0.0 111.013 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -54.46 -45.39 73.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.125 0.97 . . . . 0.0 111.59 171.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.92 -40.9 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.933 0.788 . . . . 0.0 111.343 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.56 -22.4 65.14 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.812 1.245 . . . . 0.0 114.243 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.11 -42.47 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.658 1.183 . . . . 0.0 111.187 173.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -73.03 -43.8 61.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.659 1.184 . . . . 0.0 113.164 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.24 -20.09 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.346 1.458 . . . . 0.0 113.615 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.98 -0.34 66.83 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.244 1.402 . . . . 0.0 114.781 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -82.21 144.54 30.61 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.101 1.36 . . . . 0.0 110.429 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -73.26 161.62 30.31 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -40.41 61.65 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.836 2.054 . . . . 0.0 115.48 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -37.61 81.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.824 0.849 . . . . 0.0 111.161 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.58 -13.64 71.54 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.816 1.198 . . . . 0.0 113.717 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 mmt -92.91 -54.55 3.7 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.318 1.047 . . . . 0.0 110.698 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.41 -39.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.273 1.029 . . . . 0.0 112.07 -171.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -42.09 54.17 Favored Glycine 0 N--CA 1.472 1.05 0 O-C-N 121.465 -0.772 . . . . 0.0 113.338 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.33 -25.6 59.65 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.789 0.836 . . . . 0.0 112.732 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.51 -35.31 80.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.402 -0.811 . . . . 0.0 112.229 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.1 mt -63.62 -45.2 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.286 1.034 . . . . 0.0 110.18 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.44 96.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.012 0.925 . . . . 0.0 111.918 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.7 -48.05 82.52 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.355 0.662 . . . . 0.0 111.942 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.25 -41.8 93.98 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.447 1.099 . . . . 0.0 112.394 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -73.95 -56.17 5.28 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.47 1.508 . . . . 0.0 112.037 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -71.57 -28.28 63.73 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 p -93.78 -9.62 36.89 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.76 0.824 . . . . 0.0 113.104 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.9 t60 72.96 47.5 0.2 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.985 2.114 . . . . 0.0 112.775 168.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.08 -39.28 65.98 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.837 -1.165 . . . . 0.0 113.004 -173.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t 62.71 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 127.502 2.321 . . . . 0.0 110.206 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.45 177.0 35.79 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.848 1.213 . . . . 0.0 113.867 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 mt -132.81 149.48 52.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.91 1.684 . . . . 0.0 111.345 -172.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.0 p -146.04 168.66 20.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.737 2.015 . . . . 0.0 110.094 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -61.71 -28.14 69.21 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -73.41 -37.92 65.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.636 1.174 . . . . 0.0 111.505 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.73 -40.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.13 -0.981 . . . . 0.0 110.452 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.72 -29.36 66.73 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.079 -1.013 . . . . 0.0 113.183 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -66.34 -29.93 70.22 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 118.955 0.798 . . . . 0.0 111.95 167.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 m -80.16 -29.76 38.82 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.764 -1.21 . . . . 0.0 112.869 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.12 -32.66 71.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.38 -34.73 77.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.202 -0.936 . . . . 0.0 112.171 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -79.74 -21.44 44.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.213 1.005 . . . . 0.0 112.846 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -77.36 -45.72 25.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.984 1.314 . . . . 0.0 112.16 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -129.6 -47.25 1.17 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -172.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.49 -41.8 83.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.324 0.965 . . . . 0.0 111.552 -171.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -68.2 -32.05 72.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttm . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -174.317 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 m . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.5 66.53 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.03 1.332 . . . . 0.0 114.578 -169.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -60.65 -27.84 68.11 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 112.832 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.69 -39.97 69.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.533 0.733 . . . . 0.0 111.12 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tt -77.9 -47.21 19.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.274 1.03 . . . . 0.0 110.298 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.65 -38.62 67.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.371 1.469 . . . . 0.0 113.676 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.21 -30.72 67.89 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.628 0.771 . . . . 0.0 112.801 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -72.73 -33.09 66.18 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.83 0.741 . . . . 0.0 112.601 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.2 mt -51.23 -49.2 61.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.081 1.352 . . . . 0.0 112.222 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.45 -22.47 64.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.797 0.839 . . . . 0.0 113.156 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.1 mt -66.85 -37.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 O-C-N 121.336 -0.852 . . . . 0.0 110.159 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.33 -3.51 57.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.345 1.458 . . . . 0.0 113.401 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.6 11.35 81.96 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.594 1.093 . . . . 0.0 114.58 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.34 162.9 25.28 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.763 1.225 . . . . 0.0 110.459 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -157.43 140.64 15.39 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.742 1.217 . . . . 0.0 111.179 171.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.4 m -143.28 151.26 40.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.363 1.865 . . . . 0.0 110.552 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -77.04 164.72 25.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.113 0.565 . . . . 0.0 111.136 163.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.7 -36.9 65.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.572 0.749 . . . . 0.0 112.171 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.23 65.84 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.95 -31.59 18.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.886 0.874 . . . . 0.0 111.836 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.44 -43.87 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.662 1.119 . . . . 0.0 110.221 169.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.34 -36.73 66.61 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.193 0.997 . . . . 0.0 112.083 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -63.59 -38.83 92.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.242 0.928 . . . . 0.0 112.2 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.19 -36.69 47.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.798 1.181 . . . . 0.0 111.596 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.107 0.867 . . . . 0.0 111.541 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.49 -43.42 84.1 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.655 -0.653 . . . . 0.0 111.302 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.37 -42.38 99.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.076 0.853 . . . . 0.0 111.34 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.13 -34.26 71.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.846 0.858 . . . . 0.0 112.474 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.71 -45.32 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.536 1.135 . . . . 0.0 111.648 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.84 -35.29 67.23 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.49 -18.85 18.77 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.755 1.222 . . . . 0.0 113.132 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 8.18 73.74 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.052 1.311 . . . . 0.0 114.532 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -94.94 153.47 17.65 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.746 1.618 . . . . 0.0 111.185 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.2 140.14 57.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.028 1.331 . . . . 0.0 112.732 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -61.1 -20.25 62.41 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.874 1.67 . . . . 0.0 114.601 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.78 -29.54 64.93 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.43 1.092 . . . . 0.0 112.218 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.25 -43.82 37.34 Favored Glycine 0 C--N 1.345 1.063 0 O-C-N 121.259 -0.901 . . . . 0.0 112.085 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -66.66 -39.69 88.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.209 1.404 . . . . 0.0 111.741 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.66 -40.65 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.512 1.125 . . . . 0.0 111.218 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.48 -49.65 6.58 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 124.401 1.0 . . . . 0.0 114.112 -170.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.53 -20.35 62.82 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.656 1.228 . . . . 0.0 112.751 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.31 -29.6 70.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 112.328 173.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.11 -48.78 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 0.0 110.11 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.07 86.62 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 111.607 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.12 -50.82 66.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.426 0.69 . . . . 0.0 111.312 174.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.4 m -63.71 -33.15 74.99 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.736 0.814 . . . . 0.0 112.845 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -68.24 -46.04 71.58 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 110.12 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -63.09 -42.94 99.71 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.309 1.044 . . . . 0.0 113.708 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.0 p -79.24 -17.02 55.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.062 0.945 . . . . 0.0 113.358 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . 0.291 9.2 p-80 61.23 10.29 2.94 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.929 2.892 . . . . 0.0 115.319 -176.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.49 126.19 28.86 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.421 -1.424 . . . . 0.0 110.876 170.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.84 -8.91 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 124.517 1.127 . . . . 0.0 113.742 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.83 158.82 14.46 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 125.562 1.553 . . . . 0.0 112.784 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.39 141.31 41.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.609 1.563 . . . . 0.0 111.083 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -143.56 161.27 38.91 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.622 1.969 . . . . 0.0 109.773 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.63 -31.24 62.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.989 0.915 . . . . 0.0 113.468 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.87 -35.79 79.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.946 0.898 . . . . 0.0 112.088 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.26 -41.75 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.036 0.934 . . . . 0.0 110.27 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.58 -25.54 63.11 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.946 0.794 . . . . 0.0 112.958 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -71.59 -46.42 59.35 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.07 0.85 . . . . 0.0 111.045 166.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.7 m -65.16 -28.16 69.22 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.923 -1.111 . . . . 0.0 112.973 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.22 -29.35 65.64 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.8 1.24 . . . . 0.0 113.608 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.17 -47.81 83.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.326 0.65 . . . . 0.0 110.878 171.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -72.98 -18.93 61.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.914 0.885 . . . . 0.0 112.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -82.81 -18.42 40.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.157 1.383 . . . . 0.0 113.585 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -154.87 -60.64 0.12 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.925 0.784 . . . . 0.0 113.014 -175.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.11 -40.65 94.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.678 0.672 . . . . 0.0 112.344 -168.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.6 m -78.2 -18.85 54.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.475 0.807 0 O-C-N 121.212 -0.93 . . . . 0.0 111.634 174.06 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 120.724 0.297 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -28.58 66.49 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.517 1.127 . . . . 0.0 113.6 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.14 -21.39 66.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.257 1.023 . . . . 0.0 113.649 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -82.76 -56.34 3.9 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.127 0.971 . . . . 0.0 109.764 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.46 -40.28 93.01 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.625 1.17 . . . . 0.0 111.873 -167.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -21.05 63.91 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.04 -33.76 72.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.368 -0.832 . . . . 0.0 111.58 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -77.51 -39.27 46.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.387 0.675 . . . . 0.0 111.622 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.33 -33.67 65.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.081 0.952 . . . . 0.0 112.795 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -73.62 -17.25 61.19 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.045 1.338 . . . . 0.0 113.455 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.8 mt -79.62 -44.95 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.388 0.994 . . . . 0.0 109.81 172.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.24 -10.89 51.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.025 1.33 . . . . 0.0 113.739 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 25.01 60.95 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.35 0.976 . . . . 0.0 113.299 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -77.02 107.0 9.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.55 1.14 . . . . 0.0 109.728 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.99 43.51 0.7 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.495 1.918 . . . . 0.0 113.624 -167.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.38 131.08 40.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.853 -1.154 . . . . 0.0 111.812 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.45 170.24 16.51 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.05 0.54 . . . . 0.0 111.153 160.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -49.29 -40.4 34.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.637 1.175 . . . . 0.0 113.862 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.29 64.14 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.23 -34.89 18.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.245 1.018 . . . . 0.0 111.7 172.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.52 -45.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.894 1.224 . . . . 0.0 110.666 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -57.25 -25.7 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -67.87 -42.76 80.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 120.097 1.317 . . . . 0.0 112.711 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.25 -36.59 77.29 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.258 0.936 . . . . 0.0 111.0 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.24 -42.27 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.005 0.522 . . . . 0.0 111.381 171.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.51 -47.34 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.918 0.887 . . . . 0.0 111.565 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.74 -43.41 69.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.16 0.891 . . . . 0.0 111.319 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.66 -25.57 68.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.8 t -87.71 -40.97 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.566 1.146 . . . . 0.0 111.037 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -74.72 -47.45 31.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.782 1.233 . . . . 0.0 112.136 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -93.67 -22.92 18.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.32 1.448 . . . . 0.0 113.229 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.97 70.64 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.275 1.417 . . . . 0.0 114.933 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -75.0 147.2 40.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.415 1.086 . . . . 0.0 110.571 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.76 149.2 49.29 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -48.33 -33.4 8.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.509 1.924 . . . . 0.0 115.209 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.71 -34.64 76.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.253 1.021 . . . . 0.0 112.092 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.69 -41.46 50.29 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 123.712 0.672 . . . . 0.0 111.936 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -62.7 -50.98 68.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.784 0.834 . . . . 0.0 111.232 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.08 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.388 0.675 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.11 35.48 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 118.54 0.609 . . . . 0.0 113.657 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -76.08 -23.62 55.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.259 1.03 . . . . 0.0 113.295 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.99 -34.18 77.81 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.671 0.789 . . . . 0.0 112.13 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.07 -45.35 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.027 0.931 . . . . 0.0 110.708 178.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.59 96.37 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.53 0.732 . . . . 0.0 111.843 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -67.47 -44.5 78.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.045 0.538 . . . . 0.0 112.382 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.02 -38.3 85.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.042 0.837 . . . . 0.0 112.436 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -65.85 -48.27 72.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.988 1.315 . . . . 0.0 111.001 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -72.26 -35.98 68.91 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -78.86 -26.78 44.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.434 0.694 . . . . 0.0 111.911 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 75.62 12.79 3.04 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.418 2.287 . . . . 0.0 114.45 162.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.47 151.56 45.91 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.039 -1.663 . . . . 0.0 112.654 173.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 71.5 t -81.81 123.19 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.119 0.967 . . . . 0.0 108.804 172.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.7 -162.62 53.68 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.405 1.002 . . . . 0.0 113.095 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.28 158.19 38.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.961 1.304 . . . . 0.0 111.961 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.4 p -137.93 164.85 27.98 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.487 1.915 . . . . 0.0 110.82 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -57.49 -28.54 63.5 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -73.94 -40.14 63.27 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.455 1.102 . . . . 0.0 111.95 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.01 -46.47 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.793 0.724 . . . . 0.0 110.37 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.56 -31.65 71.87 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.02 -46.62 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.039 0.836 . . . . 0.0 111.322 170.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.2 m -66.67 -30.79 71.14 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.342 -0.849 . . . . 0.0 113.115 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.6 -31.5 66.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.311 1.044 . . . . 0.0 113.578 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -57.07 -41.74 79.34 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.584 0.754 . . . . 0.0 111.524 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -85.29 -11.73 54.06 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.402 1.081 . . . . 0.0 112.717 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -95.09 -18.41 21.01 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.112 1.365 . . . . 0.0 113.666 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -147.72 -50.0 0.18 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.06 -66.33 0.56 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -73.01 -16.0 61.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.768 0.827 . . . . 0.0 112.769 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt . . . . . 0 CA--C 1.543 0.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.38 172.555 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 CA--C 1.544 0.739 0 CA-C-O 121.277 0.561 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.2 -33.24 67.29 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -68.14 -30.87 70.1 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.218 1.007 . . . . 0.0 112.481 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.0 -36.24 59.26 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.302 -0.874 . . . . 0.0 110.939 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.17 -43.61 73.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 110.301 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -33.96 74.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.947 0.899 . . . . 0.0 113.308 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -64.77 -35.38 80.9 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.624 -0.673 . . . . 0.0 111.603 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.76 -37.04 70.55 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.141 -0.974 . . . . 0.0 111.945 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -53.36 -42.4 66.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.474 1.034 . . . . 0.0 111.136 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.27 -28.18 69.16 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.045 0.938 . . . . 0.0 112.793 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.6 -39.49 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.2 -0.938 . . . . 0.0 111.682 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -85.48 -7.91 58.65 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.56 15.17 78.67 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.771 1.177 . . . . 0.0 114.06 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -76.95 164.4 25.82 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.712 1.605 . . . . 0.0 111.613 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.01 131.41 12.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.602 1.561 . . . . 0.0 110.048 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -138.46 149.72 45.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.672 1.589 . . . . 0.0 110.812 -175.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -74.84 163.94 27.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.23 0.612 . . . . 0.0 111.142 165.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -51.45 -40.71 59.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.446 1.099 . . . . 0.0 111.996 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.2 66.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -90.86 -33.57 15.61 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.143 0.977 . . . . 0.0 111.772 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.3 -47.5 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 120.661 -1.275 . . . . 0.0 109.794 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -56.94 -34.77 68.34 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.305 1.042 . . . . 0.0 112.431 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.71 -44.26 96.67 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.939 1.245 . . . . 0.0 112.477 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.03 -35.18 59.6 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.249 0.931 . . . . 0.0 112.168 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.31 -41.51 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 118.838 0.744 . . . . 0.0 110.95 171.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.64 -38.01 77.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.638 0.775 . . . . 0.0 111.842 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.19 -45.8 90.04 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.559 1.072 . . . . 0.0 110.583 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.07 -39.67 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.434 0.694 . . . . 0.0 111.791 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.02 -42.05 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.356 1.462 . . . . 0.0 112.026 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.37 -51.46 13.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.079 0.952 . . . . 0.0 112.49 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -85.57 -20.28 29.81 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.47 1.108 . . . . 0.0 113.559 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 27.56 73.6 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 123.709 0.671 . . . . 0.0 112.905 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -105.97 146.4 30.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.154 1.782 . . . . 0.0 108.685 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -68.02 158.51 32.73 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.207 1.003 . . . . 0.0 113.663 -173.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.74 -32.64 73.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.128 1.771 . . . . 0.0 113.369 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.21 -29.51 70.33 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.349 -0.844 . . . . 0.0 112.634 172.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 -15.71 81.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.833 1.206 . . . . 0.0 112.895 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 mmt -87.6 -63.77 1.25 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.235 1.018 . . . . 0.0 110.255 165.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.05 -36.64 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.992 1.317 . . . . 0.0 112.882 -166.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.81 -39.9 19.3 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 118.6 0.636 . . . . 0.0 113.036 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -75.21 -26.75 59.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.54 0.736 . . . . 0.0 112.165 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.78 -31.06 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.336 1.055 . . . . 0.0 112.711 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.47 -45.92 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.098 0.959 . . . . 0.0 110.988 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.32 93.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.484 0.714 . . . . 0.0 111.803 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.49 -49.12 72.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.897 0.879 . . . . 0.0 112.04 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.1 -36.1 80.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -69.38 -48.85 59.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.666 1.186 . . . . 0.0 110.998 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.5 p -69.57 -33.17 72.35 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -81.77 -24.56 35.93 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.256 1.022 . . . . 0.0 112.919 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 79.63 24.62 0.44 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.117 2.567 . . . . 0.0 112.413 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.21 148.18 45.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.476 1.11 . . . . 0.0 112.638 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.43 123.73 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.489 1.516 . . . . 0.0 108.289 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 174.05 43.46 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.1 0.857 . . . . 0.0 113.481 -174.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 mp -134.65 158.34 44.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.569 1.547 . . . . 0.0 110.298 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -173.64 171.78 3.76 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.794 2.838 . . . . 0.0 108.071 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.2 p -54.76 -31.16 58.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.69 -31.06 72.11 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.304 1.042 . . . . 0.0 113.132 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.9 -49.45 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.054 0.941 . . . . 0.0 108.863 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.19 -30.85 68.07 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.73 -32.07 71.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.558 0.743 . . . . 0.0 112.212 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 m -74.12 -34.67 63.98 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.068 -1.02 . . . . 0.0 111.903 172.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -62.08 -31.32 71.74 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.874 -1.141 . . . . 0.0 113.604 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.57 -49.14 77.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.599 0.76 . . . . 0.0 111.266 169.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.5 -23.48 60.04 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.691 1.196 . . . . 0.0 112.903 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -74.71 -24.99 58.84 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.776 1.63 . . . . 0.0 113.286 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -152.68 -50.77 0.1 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -169.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.68 -44.54 49.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.819 0.736 . . . . 0.0 112.099 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -72.48 -38.73 68.11 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 -169.65 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.18 83.52 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.861 0.865 . . . . 0.0 112.378 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.62 -32.45 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.934 0.894 . . . . 0.0 111.489 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -72.44 -44.74 61.97 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.053 0.541 . . . . 0.0 110.709 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.09 -39.87 95.0 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.717 0.69 . . . . 0.0 112.141 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.6 -22.45 63.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -66.6 -26.48 67.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.552 0.741 . . . . 0.0 112.601 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.9 -39.86 17.71 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.954 0.902 . . . . 0.0 112.535 172.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.9 -43.03 63.18 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.5 1.046 . . . . 0.0 112.674 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.85 -18.84 65.57 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.056 1.343 . . . . 0.0 114.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.98 -40.65 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.254 -0.904 . . . . 0.0 110.23 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.04 -6.48 59.32 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 113.4 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.55 74.11 Favored Glycine 0 N--CA 1.476 1.302 0 C-N-CA 124.582 1.087 . . . . 0.0 113.573 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.86 133.53 40.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.845 1.258 . . . . 0.0 110.553 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -114.41 121.76 44.55 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.147 1.379 . . . . 0.0 110.475 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -143.26 164.16 30.98 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.58 1.552 . . . . 0.0 111.542 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -108.64 168.95 8.97 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.304 1.442 . . . . 0.0 110.766 165.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -51.84 -39.92 59.67 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.504 1.122 . . . . 0.0 112.628 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.3 68.46 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.77 -35.56 22.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.442 0.697 . . . . 0.0 111.114 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.07 -43.46 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.454 1.101 . . . . 0.0 111.607 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.7 -37.43 65.81 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.382 0.673 . . . . 0.0 111.775 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -60.94 -30.51 70.27 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.19 -0.944 . . . . 0.0 113.404 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.99 -39.71 19.35 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.575 1.079 . . . . 0.0 111.842 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -58.4 -38.4 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 118.81 0.732 . . . . 0.0 110.953 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -56.92 -42.34 79.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.048 0.939 . . . . 0.0 112.29 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.73 -46.37 82.55 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.628 1.104 . . . . 0.0 110.776 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.6 m -56.28 -39.3 72.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.425 0.69 . . . . 0.0 112.026 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -79.86 -43.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.028 1.331 . . . . 0.0 111.914 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -69.9 -43.07 72.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.171 0.989 . . . . 0.0 111.827 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -89.83 -17.18 28.62 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.56 1.144 . . . . 0.0 113.014 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.17 53.38 9.18 Favored Glycine 0 C--N 1.343 0.961 0 C-N-CA 124.077 0.846 . . . . 0.0 111.234 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -142.76 150.75 40.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.502 1.121 . . . . 0.0 111.044 -161.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.02 138.34 42.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.137 0.975 . . . . 0.0 112.52 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -62.31 -20.23 64.12 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.104 1.761 . . . . 0.0 115.63 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.0 -32.58 71.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.289 0.949 . . . . 0.0 112.428 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.19 -44.57 43.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 121.642 -0.661 . . . . 0.0 111.859 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -62.66 -45.08 94.47 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 111.587 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.77 -42.73 47.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 118.559 0.618 . . . . 0.0 111.768 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.17 -48.12 54.89 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.687 0.676 . . . . 0.0 113.844 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.56 -21.07 59.7 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.08 -32.85 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.096 0.958 . . . . 0.0 112.218 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.5 -47.72 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.491 1.117 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.85 84.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.667 0.387 . . . . 0.0 111.615 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -64.33 -52.04 60.41 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.271 1.028 . . . . 0.0 112.052 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.0 p -72.37 -29.51 63.85 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -74.27 -46.47 41.2 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.381 174.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -67.38 -25.24 65.86 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -173.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -82.24 -19.57 39.39 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.534 1.134 . . . . 0.0 112.862 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 74.95 4.92 4.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.191 2.596 . . . . 0.0 113.896 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 135.82 54.75 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.525 -1.359 . . . . 0.0 110.982 174.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -76.61 138.81 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.773 0.829 . . . . 0.0 111.314 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.33 -162.17 53.25 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.666 0.65 . . . . 0.0 114.241 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 mt -136.97 142.52 42.6 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.722 1.609 . . . . 0.0 110.456 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.3 p -142.67 157.4 44.72 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.872 2.069 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -54.11 -30.41 48.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -170.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.13 -37.58 87.9 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 112.429 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.41 -45.56 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.205 1.002 . . . . 0.0 109.953 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.68 -30.47 70.73 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.764 -0.585 . . . . 0.0 112.572 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -72.41 -42.24 65.35 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.675 0.671 . . . . 0.0 112.185 172.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.6 m -64.06 -33.45 75.79 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.443 -0.786 . . . . 0.0 112.424 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -54.58 -27.26 37.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.77 -34.05 71.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.573 0.749 . . . . 0.0 112.452 174.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -80.15 -29.05 38.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.959 0.903 . . . . 0.0 112.642 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -78.66 -17.64 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -149.11 -48.14 0.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.5 -44.79 56.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -168.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.4 p -66.13 -23.5 66.5 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 124.849 1.26 . . . . 0.0 111.65 173.176 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 122.263 1.03 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.67 66.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.43 1.092 . . . . 0.0 112.035 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.39 -25.98 67.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.668 1.187 . . . . 0.0 112.749 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -90.97 -41.22 11.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.915 0.886 . . . . 0.0 111.358 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.83 -43.02 80.53 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.683 0.793 . . . . 0.0 112.397 -176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -25.84 67.65 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.67 -30.58 70.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.12 0.968 . . . . 0.0 112.806 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -72.21 -27.79 62.76 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.52 -35.59 70.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.851 1.26 . . . . 0.0 112.809 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -67.81 -23.01 65.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.446 1.099 . . . . 0.0 113.071 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.83 -39.3 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.05 0.94 . . . . 0.0 110.138 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -89.33 -9.87 48.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.505 1.522 . . . . 0.0 113.593 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 18.57 71.93 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.369 0.985 . . . . 0.0 113.952 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.5 163.38 22.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.956 1.703 . . . . 0.0 111.96 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -156.87 136.53 12.36 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.574 1.549 . . . . 0.0 110.716 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -154.99 156.36 35.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.629 1.972 . . . . 0.0 110.811 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -80.86 163.32 23.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 164.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.85 -39.48 62.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.969 0.908 . . . . 0.0 112.399 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.36 67.77 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -88.52 -35.08 17.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 0.0 111.758 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -61.25 -42.1 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.234 1.014 . . . . 0.0 110.692 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.88 -30.25 61.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.871 0.869 . . . . 0.0 113.308 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.67 -52.46 65.36 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.358 1.436 . . . . 0.0 111.156 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.07 -31.45 72.67 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.662 0.664 . . . . 0.0 111.356 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.68 -41.56 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.56 171.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -57.49 -46.29 83.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.778 1.172 . . . . 0.0 111.126 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.19 -49.7 68.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.664 0.666 . . . . 0.0 112.407 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 p -63.63 -30.14 71.29 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.259 0.936 . . . . 0.0 113.145 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.28 -42.1 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.666 1.186 . . . . 0.0 111.621 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.5 -50.28 18.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.578 0.751 . . . . 0.0 112.386 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.51 -16.48 42.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.54 1.136 . . . . 0.0 113.448 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.59 3.75 83.69 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.846 1.212 . . . . 0.0 114.236 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -74.08 133.26 42.87 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 109.611 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.01 139.29 56.32 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.627 -0.67 . . . . 0.0 110.979 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -24.66 63.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -153.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -64.62 -27.23 68.8 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.542 1.064 . . . . 0.0 112.271 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.45 -36.52 38.55 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.435 1.016 . . . . 0.0 111.467 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.8 tpp -66.34 -45.23 80.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.412 1.106 . . . . 0.0 111.139 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.31 -39.26 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.805 1.242 . . . . 0.0 111.508 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.24 -40.09 50.5 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.139 0.876 . . . . 0.0 113.684 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.91 -32.2 73.8 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.679 1.24 . . . . 0.0 112.425 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.42 -31.71 70.66 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.728 1.211 . . . . 0.0 113.264 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.83 -42.61 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.495 1.118 . . . . 0.0 111.368 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.26 82.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.886 0.874 . . . . 0.0 112.199 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.53 -50.65 66.52 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.803 0.841 . . . . 0.0 111.151 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.71 -35.23 79.07 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.656 0.782 . . . . 0.0 113.071 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.5 m -65.65 -42.48 91.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.224 1.01 . . . . 0.0 110.949 174.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -68.34 -36.33 79.09 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -82.8 -27.18 31.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.115 0.87 . . . . 0.0 112.873 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 80.38 -1.93 1.94 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.55 2.74 . . . . 0.0 112.954 174.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -70.98 142.59 50.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.06 -1.65 . . . . 0.0 111.725 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.5 t -90.06 137.52 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.194 1.397 . . . . 0.0 110.373 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.37 -172.58 53.84 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.293 0.949 . . . . 0.0 114.046 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 mt -135.17 153.52 51.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.197 1.799 . . . . 0.0 110.979 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -170.8 161.31 7.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.746 2.018 . . . . 0.0 109.756 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -58.41 -28.07 64.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.591 1.157 . . . . 0.0 113.66 -171.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.62 -36.25 80.47 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.943 0.897 . . . . 0.0 111.889 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.7 mt -78.32 -41.18 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.425 1.09 . . . . 0.0 109.935 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.52 -35.58 81.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -69.52 -44.97 69.92 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.485 0.584 . . . . 0.0 112.25 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 p -72.62 -25.52 61.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.158 -0.963 . . . . 0.0 113.449 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -60.82 -35.39 76.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.166 -0.959 . . . . 0.0 113.345 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.37 -37.11 77.07 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.614 -0.679 . . . . 0.0 112.107 170.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -88.78 -19.27 26.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -171.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -17.29 51.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -158.69 -46.39 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.2 -48.04 74.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.612 1.096 . . . . 0.0 112.195 -170.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -68.47 -17.35 64.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.45 1.1 . . . . 0.0 113.227 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 CA--C 1.552 1.056 0 O-C-N 120.809 -1.182 . . . . 0.0 113.05 172.269 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.934 0.873 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.68 96.98 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.961 0.904 . . . . 0.0 111.81 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.21 -38.72 92.04 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.84 0.856 . . . . 0.0 111.608 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.574 0.749 . . . . 0.0 111.884 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.4 -42.44 92.57 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.575 0.75 . . . . 0.0 111.133 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.37 -26.59 66.55 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.51 -42.22 95.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.966 0.803 . . . . 0.0 110.748 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.21 -37.07 80.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.425 -0.798 . . . . 0.0 112.73 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.52 -50.75 62.22 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.581 1.082 . . . . 0.0 110.866 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -69.56 -24.5 63.72 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.049 0.94 . . . . 0.0 113.338 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.1 -38.44 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 119.88 1.218 . . . . 0.0 111.419 171.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -87.21 -2.52 58.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.603 1.161 . . . . 0.0 113.62 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 11.08 67.35 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.634 1.588 . . . . 0.0 114.916 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp -79.08 152.56 30.77 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 109.987 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -148.44 134.92 19.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.956 1.303 . . . . 0.0 111.061 -175.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 m -148.48 161.76 40.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.735 1.614 . . . . 0.0 112.49 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -88.38 162.92 16.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.33 1.052 . . . . 0.0 110.887 159.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.42 -35.47 60.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.612 1.165 . . . . 0.0 112.759 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.18 -24.52 64.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.238 1.015 . . . . 0.0 113.368 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -87.8 -34.05 18.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.609 0.764 . . . . 0.0 111.99 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.88 -45.0 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.064 0.946 . . . . 0.0 111.297 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.69 -26.89 67.45 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.9 -41.65 92.1 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.047 -1.033 . . . . 0.0 111.883 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -35.33 66.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.277 0.631 . . . . 0.0 111.939 176.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.76 -42.77 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.354 0.525 . . . . 0.0 110.485 172.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.95 -32.76 73.22 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.825 0.739 . . . . 0.0 112.891 173.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.21 -48.85 71.93 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.433 1.47 . . . . 0.0 110.4 171.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.19 -40.68 67.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 111.859 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.71 -43.24 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 111.901 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.61 -42.99 63.89 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.164 0.893 . . . . 0.0 112.475 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -85.23 -15.34 43.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.201 1.0 . . . . 0.0 113.326 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 46.73 40.54 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.478 1.037 . . . . 0.0 111.309 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -134.22 157.55 45.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.196 1.398 . . . . 0.0 111.174 -164.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -67.62 149.25 50.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.576 1.55 . . . . 0.0 111.807 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -31.27 72.38 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.367 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.34 -21.38 66.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.38 1.072 . . . . 0.0 113.113 175.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.68 -50.56 5.23 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.251 0.929 . . . . 0.0 111.28 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -36.38 83.93 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.778 1.231 . . . . 0.0 112.061 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.67 -45.76 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.735 0.814 . . . . 0.0 110.935 170.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.56 97.41 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.001 0.819 . . . . 0.0 114.086 -171.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -72.84 -25.88 61.27 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.241 1.021 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.56 -30.68 68.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.89 -48.36 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 118.65 0.659 . . . . 0.0 110.407 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.58 88.98 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.585 0.754 . . . . 0.0 111.866 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -65.29 -46.23 81.26 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.029 0.532 . . . . 0.0 111.47 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.1 m -62.17 -41.58 98.45 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.443 -0.786 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -66.47 -49.39 66.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.579 1.152 . . . . 0.0 111.339 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -69.57 -30.17 67.88 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.4 p -82.88 -22.89 33.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.681 0.793 . . . . 0.0 112.728 172.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 79.56 -0.66 2.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 128.207 2.603 . . . . 0.0 113.135 173.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -72.36 117.98 14.68 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.268 -1.52 . . . . 0.0 111.241 175.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.11 143.76 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.821 0.848 . . . . 0.0 110.355 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 -173.36 55.05 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.766 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -144.06 160.38 40.98 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.9 1.68 . . . . 0.0 111.919 -172.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -173.12 156.39 3.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.684 2.394 . . . . 0.0 109.137 -172.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.57 -31.07 61.87 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -165.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.14 -34.03 77.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.245 1.018 . . . . 0.0 112.291 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.04 -45.04 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.696 0.798 . . . . 0.0 109.625 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.4 -30.01 68.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.072 0.851 . . . . 0.0 113.041 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -65.64 -47.65 74.85 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.432 0.693 . . . . 0.0 111.373 168.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.4 m -64.7 -34.14 77.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.136 -0.978 . . . . 0.0 113.074 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.03 -31.96 67.5 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.139 1.375 . . . . 0.0 113.564 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -40.79 94.22 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.757 0.708 . . . . 0.0 111.795 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -80.61 -21.52 41.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.002 0.921 . . . . 0.0 113.072 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -72.51 -27.44 62.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.579 1.152 . . . . 0.0 112.854 -177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -156.02 -44.27 0.08 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.42 -37.72 85.85 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.192 0.906 . . . . 0.0 113.268 -167.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.8 p -73.16 -18.98 61.21 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 N--CA 1.471 0.583 0 C-N-CA 124.341 1.056 . . . . 0.0 113.248 -174.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.68 67.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -174.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.11 -24.49 65.03 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.977 0.911 . . . . 0.0 112.839 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -84.17 -43.76 14.64 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.472 -0.768 . . . . 0.0 110.457 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.94 -45.46 81.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.554 0.742 . . . . 0.0 111.373 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -26.25 68.35 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.15 -35.45 78.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.166 0.586 . . . . 0.0 111.309 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -72.59 -35.47 67.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.478 0.711 . . . . 0.0 112.592 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -52.26 -41.77 63.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.835 0.854 . . . . 0.0 111.965 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.83 -16.27 61.6 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -75.34 -41.01 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.256 0.935 . . . . 0.0 110.882 174.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -84.19 -14.76 49.23 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.811 1.245 . . . . 0.0 113.606 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.94 58.41 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.689 1.137 . . . . 0.0 113.704 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.14 143.34 48.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.807 1.243 . . . . 0.0 110.119 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -125.56 121.95 35.12 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.275 1.43 . . . . 0.0 110.439 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 m -144.11 141.82 30.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.642 1.577 . . . . 0.0 110.603 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.67 167.43 21.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.664 0.785 . . . . 0.0 110.792 164.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -53.99 -37.48 64.05 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.771 -0.581 . . . . 0.0 112.554 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -25.11 65.24 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -89.46 -32.13 17.37 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.186 0.994 . . . . 0.0 111.871 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.04 -46.98 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.049 1.295 . . . . 0.0 109.705 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.37 -32.64 68.76 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.606 0.762 . . . . 0.0 112.362 171.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -65.25 -36.49 84.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 120.038 1.29 . . . . 0.0 113.045 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.79 -38.23 47.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.873 1.215 . . . . 0.0 111.884 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.25 -38.72 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.933 0.788 . . . . 0.0 111.232 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.92 -48.85 66.97 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.761 1.225 . . . . 0.0 111.272 172.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.02 -44.01 94.89 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.766 0.712 . . . . 0.0 111.421 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.3 m -60.83 -28.71 69.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.138 0.975 . . . . 0.0 113.17 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -88.93 -39.21 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.134 1.373 . . . . 0.0 111.579 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.77 -50.84 18.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.726 1.21 . . . . 0.0 112.199 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -90.78 -21.48 21.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.839 1.656 . . . . 0.0 113.603 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.5 12.06 82.46 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.686 1.136 . . . . 0.0 115.055 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -91.15 2.21 56.51 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.48 1.14 . . . . 0.0 113.549 -169.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 72.75 163.84 0.28 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.44 2.296 . . . . 0.0 114.69 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.207 1.803 . . . . 0.0 113.499 -174.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.85 -31.03 71.37 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.847 0.748 . . . . 0.0 112.15 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.61 -12.91 74.31 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.704 1.145 . . . . 0.0 113.562 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 mmt -97.44 -59.45 1.78 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.7 1.25 . . . . 0.0 111.121 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.99 -38.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.197 1.399 . . . . 0.0 112.181 -166.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -25.7 60.44 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 118.458 0.572 . . . . 0.0 113.571 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.67 -27.91 22.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.465 1.106 . . . . 0.0 112.329 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.85 -28.93 67.93 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.98 1.312 . . . . 0.0 112.48 172.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.78 -40.54 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.028 0.931 . . . . 0.0 111.644 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.01 93.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.277 0.631 . . . . 0.0 111.338 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.62 -46.83 71.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.96 0.504 . . . . 0.0 111.224 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.14 -39.02 81.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.006 0.923 . . . . 0.0 112.904 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.75 -42.23 74.16 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.015 1.326 . . . . 0.0 110.978 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.2 t -64.86 -44.84 88.42 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.113 0.965 . . . . 0.0 113.452 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 t -74.66 -26.87 60.15 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.261 0.624 . . . . 0.0 112.016 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 80.31 42.45 0.06 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.121 2.568 . . . . 0.0 112.073 164.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.43 165.0 15.52 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.395 1.478 . . . . 0.0 112.857 -172.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 m -120.45 144.57 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.879 1.672 . . . . 0.0 110.101 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.84 163.59 27.62 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.465 1.031 . . . . 0.0 112.557 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.1 164.7 26.44 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.919 1.288 . . . . 0.0 111.397 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 t -173.06 158.21 3.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.226 2.21 . . . . 0.0 109.051 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -53.53 -29.33 36.18 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.186 1.394 . . . . 0.0 113.874 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.1 -30.59 71.72 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.839 0.856 . . . . 0.0 112.659 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -84.18 -51.73 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.404 1.082 . . . . 0.0 110.095 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.16 -28.53 68.85 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.73 -41.1 72.3 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.289 0.95 . . . . 0.0 111.76 170.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.7 m -70.52 -28.2 64.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.654 0.782 . . . . 0.0 113.074 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.87 -29.66 67.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.331 1.052 . . . . 0.0 113.193 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.7 -44.8 85.05 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.776 -0.578 . . . . 0.0 111.466 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.54 -36.54 78.96 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.518 -0.739 . . . . 0.0 112.257 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -65.82 -28.6 69.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.483 1.513 . . . . 0.0 113.509 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -148.49 -59.76 0.24 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -170.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.62 -45.46 90.18 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.075 0.852 . . . . 0.0 112.658 -169.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.1 t -64.43 -32.3 73.87 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.28 1.032 . . . . 0.0 112.386 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 mttm . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.642 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 121.625 0.726 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.28 71.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.731 0.813 . . . . 0.0 112.313 173.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -73.7 -37.93 65.01 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.765 0.826 . . . . 0.0 112.193 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -66.76 -39.42 87.87 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.057 0.389 . . . . 0.0 110.699 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.49 -52.88 61.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.991 0.916 . . . . 0.0 110.54 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.5 70.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.528 1.131 . . . . 0.0 113.369 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -63.57 -38.71 92.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.572 0.624 . . . . 0.0 112.074 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -65.73 -36.21 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.308 -0.87 . . . . 0.0 111.412 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.61 -30.24 68.55 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.255 -0.903 . . . . 0.0 112.831 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.52 -22.23 61.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.704 0.801 . . . . 0.0 113.127 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -77.81 -44.87 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.875 0.87 . . . . 0.0 110.496 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.02 -1.27 40.15 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.579 1.152 . . . . 0.0 113.866 -171.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.97 25.3 62.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.465 1.031 . . . . 0.0 114.336 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -79.97 102.33 9.17 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.065 1.346 . . . . 0.0 109.581 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.61 73.15 10.6 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.316 1.046 . . . . 0.0 111.711 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -85.24 159.41 20.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.84 1.656 . . . . 0.0 111.94 167.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.18 169.88 9.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.764 1.226 . . . . 0.0 110.743 159.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.27 -35.87 67.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.024 0.929 . . . . 0.0 112.577 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.05 68.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.7 -32.4 21.95 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.081 0.952 . . . . 0.0 111.856 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.9 -47.57 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.093 1.315 . . . . 0.0 110.311 168.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.28 -34.94 71.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.367 0.667 . . . . 0.0 112.02 171.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -64.94 -30.21 71.19 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.907 -1.121 . . . . 0.0 113.868 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.32 -36.43 26.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.299 1.408 . . . . 0.0 112.146 170.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.9 -37.38 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.496 1.044 . . . . 0.0 111.367 170.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.69 -45.32 77.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.98 0.912 . . . . 0.0 111.677 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.19 -41.93 96.88 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.953 0.797 . . . . 0.0 110.962 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.2 m -57.09 -41.96 79.87 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.096 0.958 . . . . 0.0 111.762 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.15 -40.48 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.081 1.352 . . . . 0.0 111.58 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.94 -47.11 63.64 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.416 1.087 . . . . 0.0 112.605 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -94.52 -9.1 36.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.067 1.347 . . . . 0.0 114.337 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 32.48 69.4 Favored Glycine 0 N--CA 1.476 1.327 0 CA-C-N 119.158 0.89 . . . . 0.0 112.823 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -124.28 154.75 39.78 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.509 1.924 . . . . 0.0 109.969 -171.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.82 157.72 35.9 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.425 1.107 . . . . 0.0 113.869 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -62.32 -38.43 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.515 1.926 . . . . 0.0 112.106 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.36 -29.44 70.51 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.803 0.841 . . . . 0.0 111.788 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.07 -34.86 61.34 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.677 1.132 . . . . 0.0 112.551 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.5 mmt -71.49 -55.34 8.07 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 117.683 0.742 . . . . 0.0 110.947 170.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.35 -37.26 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.508 0.723 . . . . 0.0 111.916 -175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.0 87.2 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.748 0.704 . . . . 0.0 114.101 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.15 -31.68 27.05 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.074 0.937 . . . . 0.0 111.836 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.18 -34.99 79.35 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.711 0.804 . . . . 0.0 112.647 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.14 -44.51 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.444 1.098 . . . . 0.0 111.414 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.475 0.58 . . . . 0.0 111.797 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -66.4 -49.68 66.0 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.055 0.542 . . . . 0.0 111.655 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.63 -32.49 72.63 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.37 -45.69 68.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 110.759 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -64.68 -42.4 95.38 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.017 0.927 . . . . 0.0 113.402 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.7 p -78.07 -25.19 47.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.148 0.979 . . . . 0.0 112.655 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 81.87 -2.85 1.56 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 129.415 3.086 . . . . 0.0 113.24 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -81.06 100.04 8.8 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.651 -1.281 . . . . 0.0 111.82 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.77 -14.5 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.406 1.082 . . . . 0.0 113.373 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.63 132.42 10.99 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.744 1.64 . . . . 0.0 110.854 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.4 161.41 14.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.283 1.033 . . . . 0.0 112.5 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.9 p -143.02 167.74 21.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.92 2.088 . . . . 0.0 109.748 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -60.3 -26.77 66.77 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -75.7 -40.66 55.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 111.595 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.47 -40.16 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.592 -0.693 . . . . 0.0 110.077 173.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.21 -38.09 75.21 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -58.47 -43.02 88.78 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.024 0.829 . . . . 0.0 111.593 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.8 m -67.71 -35.7 79.28 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 113.081 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.6 -34.5 77.96 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.687 1.13 . . . . 0.0 113.012 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.4 -42.13 91.03 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.475 -0.766 . . . . 0.0 111.366 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -71.89 -27.6 62.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -71.21 -24.25 62.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.12 1.368 . . . . 0.0 113.499 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -153.46 -36.05 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.66 -53.96 5.03 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 112.635 -168.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.7 p -77.83 -2.56 37.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 N--CA 1.478 0.953 0 C-N-CA 124.647 1.179 . . . . 0.0 113.354 162.838 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 121.016 0.436 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.3 94.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.997 0.919 . . . . 0.0 112.541 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.16 -41.5 73.74 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.991 0.516 . . . . 0.0 111.207 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -59.0 -41.03 86.69 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.384 1.073 . . . . 0.0 111.508 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -78.18 -39.48 40.62 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.062 0.545 . . . . 0.0 112.045 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -28.15 68.28 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -65.14 -20.34 66.41 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.524 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -92.63 -36.0 13.22 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.517 1.053 . . . . 0.0 112.585 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.87 -46.24 42.22 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.784 1.175 . . . . 0.0 111.698 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.18 -19.95 65.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.148 1.379 . . . . 0.0 113.68 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mm -76.91 -38.76 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.597 1.09 . . . . 0.0 111.272 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -83.08 -7.56 59.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.914 1.286 . . . . 0.0 112.995 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 13.2 73.51 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.678 1.132 . . . . 0.0 113.868 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.54 152.87 40.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.187 0.993 . . . . 0.0 110.825 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -152.38 121.46 6.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.714 1.606 . . . . 0.0 109.613 175.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.7 m -131.68 154.79 48.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.211 1.404 . . . . 0.0 112.048 -170.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.38 157.66 32.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.292 0.637 . . . . 0.0 111.184 165.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.24 -35.03 64.53 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.698 0.799 . . . . 0.0 112.388 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.21 68.6 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -86.92 -36.05 18.57 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.362 0.665 . . . . 0.0 111.832 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.11 -46.28 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 119.164 0.893 . . . . 0.0 110.583 173.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -53.86 -34.04 58.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.423 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -68.42 -35.53 77.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.79 -1.194 . . . . 0.0 113.005 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.39 -39.94 52.27 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.264 0.938 . . . . 0.0 111.038 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.81 -35.82 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.436 0.694 . . . . 0.0 112.014 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.51 -46.99 83.14 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.665 1.186 . . . . 0.0 111.399 172.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.92 -39.17 84.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.709 -0.62 . . . . 0.0 110.99 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.56 -15.44 58.03 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 174.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.48 -50.62 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.632 1.173 . . . . 0.0 111.024 168.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -72.9 -32.28 65.23 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -172.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -106.74 -21.36 13.06 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.511 1.524 . . . . 0.0 112.747 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 -8.81 24.73 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.601 1.572 . . . . 0.0 115.564 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.99 156.01 32.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.982 1.713 . . . . 0.0 112.401 -175.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -55.37 132.13 47.41 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.959 1.304 . . . . 0.0 112.608 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 2.8 mp0 -46.61 -37.69 8.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.499 2.319 . . . . 0.0 112.92 171.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -30.57 68.2 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.819 1.248 . . . . 0.0 113.081 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.92 -43.31 17.79 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.691 1.138 . . . . 0.0 111.841 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -40.42 92.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.834 0.854 . . . . 0.0 112.013 174.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -74.62 -45.11 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.074 0.95 . . . . 0.0 111.776 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -40.92 14.82 Favored Glycine 0 N--CA 1.471 0.984 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.495 -168.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.2 -22.99 61.95 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.931 1.366 . . . . 0.0 112.287 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.75 -28.99 69.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.446 1.099 . . . . 0.0 112.261 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.87 -43.68 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.375 1.07 . . . . 0.0 111.294 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.23 92.58 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.114 0.565 . . . . 0.0 111.735 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -67.36 -46.2 74.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.462 0.705 . . . . 0.0 111.797 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.83 -35.92 81.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.685 0.675 . . . . 0.0 112.618 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -66.57 -44.66 81.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.812 1.245 . . . . 0.0 110.201 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -42.0 98.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -76.98 -21.61 54.46 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.131 -0.981 . . . . 0.0 113.312 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.7 m80 73.79 -3.15 2.57 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.399 2.679 . . . . 0.0 113.804 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -72.49 146.98 46.47 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.741 -1.225 . . . . 0.0 112.39 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -94.69 135.26 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.405 1.482 . . . . 0.0 108.864 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.1 179.43 52.59 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.466 1.032 . . . . 0.0 113.948 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.91 145.71 51.61 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.222 1.809 . . . . 0.0 111.022 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -141.53 160.54 39.93 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.352 2.261 . . . . 0.0 108.87 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -54.49 -33.35 59.64 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.05 -35.85 80.77 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 112.396 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.53 -39.53 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.375 -0.828 . . . . 0.0 110.091 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -31.72 69.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 173.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.74 -37.14 81.77 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.633 1.106 . . . . 0.0 111.802 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -66.37 -39.65 89.24 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.071 -1.018 . . . . 0.0 112.712 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.1 -35.36 66.95 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.719 1.145 . . . . 0.0 113.886 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -58.43 -42.95 88.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.438 0.695 . . . . 0.0 111.966 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -83.91 -27.39 28.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.61 1.164 . . . . 0.0 112.992 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -67.05 -33.79 76.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.146 1.778 . . . . 0.0 112.771 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -149.65 -42.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.36 -54.78 27.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.432 1.015 . . . . 0.0 111.583 -173.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.2 m -64.56 -22.85 67.08 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 N--CA 1.475 0.804 0 O-C-N 121.125 -0.984 . . . . 0.0 112.675 174.026 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 121.045 0.45 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.82 71.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.064 0.946 . . . . 0.0 112.519 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.33 -32.64 74.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.758 1.223 . . . . 0.0 111.743 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -94.09 -36.89 11.89 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.89 -36.38 81.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.34 0.973 . . . . 0.0 111.798 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.15 60.47 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.42 -33.04 48.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.647 0.779 . . . . 0.0 111.735 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.28 -33.54 73.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.783 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.59 -34.83 59.78 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.341 1.057 . . . . 0.0 112.456 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -70.83 -20.74 62.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.157 0.983 . . . . 0.0 112.683 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 mm -73.34 -35.47 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.148 0.979 . . . . 0.0 111.047 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -98.34 -9.94 24.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.269 1.428 . . . . 0.0 113.523 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.6 18.63 61.54 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.753 1.168 . . . . 0.0 113.987 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 mt -76.07 159.38 30.83 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.272 1.036 . . . . 0.0 111.449 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -148.6 39.41 0.88 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.13 1.372 . . . . 0.0 111.784 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -57.8 143.11 43.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.484 1.514 . . . . 0.0 112.532 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.26 161.34 31.24 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.478 0.711 . . . . 0.0 111.809 169.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.14 -35.99 67.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.734 0.814 . . . . 0.0 112.153 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.23 67.94 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.3 mt -87.51 -34.34 18.66 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.599 0.759 . . . . 0.0 111.749 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -55.79 -46.15 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.644 1.111 . . . . 0.0 110.459 170.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.82 -34.28 67.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.295 0.638 . . . . 0.0 112.419 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.76 -29.77 67.19 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.634 -1.291 . . . . 0.0 113.269 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.55 -38.21 26.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.771 1.169 . . . . 0.0 111.072 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.27 -39.21 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 118.855 0.752 . . . . 0.0 111.282 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.25 -40.66 59.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.221 1.008 . . . . 0.0 111.62 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.93 -45.28 74.78 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.636 -0.665 . . . . 0.0 110.198 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -62.0 -30.05 70.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.875 0.87 . . . . 0.0 113.01 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -75.92 -45.43 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.467 1.107 . . . . 0.0 111.012 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -75.07 -49.74 18.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.95 0.9 . . . . 0.0 112.666 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -88.57 -17.3 30.48 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.261 1.424 . . . . 0.0 113.747 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 -0.87 62.36 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.392 1.472 . . . . 0.0 114.776 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -80.37 145.0 32.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.776 1.63 . . . . 0.0 111.233 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -63.64 149.1 47.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.145 1.378 . . . . 0.0 112.723 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.87 -34.03 52.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.071 1.748 . . . . 0.0 114.642 -170.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.78 -28.84 69.74 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.53 -17.27 79.86 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 124.365 0.983 . . . . 0.0 112.63 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.6 mmt -93.8 -53.79 3.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.152 0.981 . . . . 0.0 110.601 171.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -68.64 -43.21 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.127 0.971 . . . . 0.0 112.139 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.52 -39.93 24.39 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.735 0.698 . . . . 0.0 113.288 -174.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -69.98 -20.63 63.29 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.644 0.778 . . . . 0.0 112.951 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.28 -30.81 70.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 112.624 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.76 -41.05 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 118.651 0.659 . . . . 0.0 110.437 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.31 69.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.06 0.944 . . . . 0.0 113.032 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.15 -44.59 53.04 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.787 -0.571 . . . . 0.0 111.293 170.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.93 -39.14 91.02 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 p -68.74 -48.87 62.66 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.035 0.834 . . . . 0.0 111.728 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.9 m -66.01 -31.45 72.35 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -83.84 -26.5 29.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 172.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 72.34 11.87 5.76 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.342 2.257 . . . . 0.0 113.264 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 145.57 52.63 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.291 -1.505 . . . . 0.0 112.594 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.27 141.62 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.028 1.331 . . . . 0.0 110.568 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.08 -169.56 39.11 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.375 0.988 . . . . 0.0 113.939 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 mt -134.5 143.7 47.61 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.921 1.688 . . . . 0.0 110.204 175.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -138.72 161.84 36.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.864 2.065 . . . . 0.0 109.245 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -57.73 -29.55 64.83 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -74.46 -29.59 61.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.266 1.026 . . . . 0.0 113.247 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.96 -40.5 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.75 -31.69 69.79 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.36 -45.81 89.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.17 0.988 . . . . 0.0 110.848 170.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -65.47 -33.14 75.25 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.011 -1.056 . . . . 0.0 113.328 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.69 -34.78 74.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.422 1.01 . . . . 0.0 113.498 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.84 -36.96 75.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.792 0.724 . . . . 0.0 111.94 172.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -85.97 -15.84 40.27 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.565 1.146 . . . . 0.0 112.367 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.56 -20.89 28.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.44 1.496 . . . . 0.0 112.879 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -150.8 -51.57 0.13 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.45 -38.74 88.05 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.247 0.93 . . . . 0.0 113.017 -168.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.7 p -74.9 -23.62 58.4 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.472 0.626 0 O-C-N 121.112 -0.992 . . . . 0.0 113.187 -177.738 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.68 71.45 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.327 -0.858 . . . . 0.0 112.102 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -69.61 -22.97 63.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.035 0.934 . . . . 0.0 112.241 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -42.98 10.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.036 0.934 . . . . 0.0 111.203 173.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -36.08 80.13 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 111.799 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.74 65.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.72 -31.68 68.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.136 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -70.96 -33.01 70.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.854 0.861 . . . . 0.0 112.373 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -54.08 -32.91 56.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.206 1.403 . . . . 0.0 112.525 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.68 -29.11 70.4 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.418 1.487 . . . . 0.0 112.315 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.8 mm -83.6 -39.35 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.768 1.227 . . . . 0.0 110.475 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -84.82 -6.94 59.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.823 1.249 . . . . 0.0 113.618 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.57 70.73 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.735 1.16 . . . . 0.0 113.247 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.37 161.46 20.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.435 1.494 . . . . 0.0 112.154 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -153.3 129.67 10.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.968 1.707 . . . . 0.0 109.971 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 m -149.33 156.59 42.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.134 1.774 . . . . 0.0 111.238 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.55 154.45 34.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.106 0.562 . . . . 0.0 110.921 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.22 -33.77 59.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.36 1.064 . . . . 0.0 112.656 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.17 70.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.72 0.808 . . . . 0.0 112.702 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.06 -35.81 25.43 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.691 0.678 . . . . 0.0 112.132 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.61 -45.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.195 0.907 . . . . 0.0 110.752 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.64 -29.37 69.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.174 0.99 . . . . 0.0 112.775 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -65.8 -34.14 77.48 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 174.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.03 -35.44 66.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.917 1.235 . . . . 0.0 111.707 172.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.34 -40.7 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 118.798 0.726 . . . . 0.0 110.748 170.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.31 -31.79 69.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.293 1.037 . . . . 0.0 111.964 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.77 -46.7 44.03 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.663 -1.273 . . . . 0.0 110.757 171.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.17 -37.39 72.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.789 1.177 . . . . 0.0 112.734 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -73.47 -33.38 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.954 1.302 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -90.81 -46.28 8.31 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.337 0.971 . . . . 0.0 113.033 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -82.49 -20.44 36.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.408 1.083 . . . . 0.0 112.561 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.6 2.45 88.02 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.803 1.668 . . . . 0.0 114.784 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -90.54 143.29 26.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.265 1.426 . . . . 0.0 110.538 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -72.26 161.78 30.38 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.9 -40.08 60.13 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.698 2.399 . . . . 0.0 112.843 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.15 -25.29 66.9 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.0 -52.37 4.1 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 124.413 1.006 . . . . 0.0 110.936 172.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -38.91 84.41 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.933 . . . . 0.0 112.777 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.65 -48.87 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.141 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.22 -26.22 62.22 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 115.244 0.857 . . . . 0.0 115.244 -166.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -85.57 -16.1 40.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.427 1.114 . . . . 0.0 113.437 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.58 -27.32 67.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.614 1.166 . . . . 0.0 112.997 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mp -62.23 -31.29 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.872 0.869 . . . . 0.0 111.15 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.4 78.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.692 0.797 . . . . 0.0 112.922 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.51 -47.43 69.98 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.118 0.967 . . . . 0.0 110.43 175.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 81.8 m -60.84 -38.48 85.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.11 0.964 . . . . 0.0 112.494 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -65.7 -49.27 69.15 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.965 1.306 . . . . 0.0 110.549 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -65.6 -34.49 78.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.4 p -87.26 -23.71 24.61 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 76.95 5.58 3.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 128.678 2.791 . . . . 0.0 112.737 -175.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -69.83 135.02 49.16 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.927 -1.108 . . . . 0.0 112.365 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -93.5 -4.64 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.97 1.308 . . . . 0.0 113.847 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.84 161.66 24.58 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.611 1.577 . . . . 0.0 113.21 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.58 161.96 28.38 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.469 1.508 . . . . 0.0 111.716 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -141.51 168.53 19.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.921 2.088 . . . . 0.0 109.732 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -60.7 -28.12 68.4 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.16 -33.34 61.49 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.119 0.968 . . . . 0.0 112.114 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -69.78 -42.42 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.45 -0.781 . . . . 0.0 110.361 174.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.53 -26.68 62.75 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.139 0.881 . . . . 0.0 113.304 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.2 -39.0 82.57 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.108 -0.995 . . . . 0.0 111.404 166.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -66.96 -37.81 84.95 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.305 -0.872 . . . . 0.0 112.721 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.06 -34.81 45.17 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.591 1.557 . . . . 0.0 113.883 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -55.82 -43.58 77.07 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.786 1.234 . . . . 0.0 112.527 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -95.23 -27.32 15.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.434 1.493 . . . . 0.0 112.267 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -69.39 -37.42 77.53 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.909 1.684 . . . . 0.0 112.226 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -144.62 -40.25 0.26 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -54.22 25.97 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.533 1.06 . . . . 0.0 113.354 -169.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.8 p -64.67 -40.13 94.87 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.4 -0.813 . . . . 0.0 112.414 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 179.519 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -104.61 154.97 19.26 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.813 0.845 . . . . 0.0 112.894 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.67 -4.0 57.97 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.912 1.285 . . . . 0.0 113.911 166.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m 78.15 96.19 0.06 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.774 2.43 . . . . 0.0 113.043 171.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.15 68.38 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.063 0.945 . . . . 0.0 113.477 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.01 -28.25 68.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.034 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.6 -34.47 30.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.933 0.788 . . . . 0.0 110.895 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -67.71 -43.13 80.78 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.072 0.949 . . . . 0.0 111.006 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.83 66.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.361 1.465 . . . . 0.0 114.389 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.0 -30.87 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.9 0.773 . . . . 0.0 112.589 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -79.55 -39.38 31.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.205 0.602 . . . . 0.0 112.064 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -55.83 -34.47 65.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.537 1.135 . . . . 0.0 112.387 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.69 -19.24 62.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.131 1.372 . . . . 0.0 113.033 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.42 -45.55 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.763 1.165 . . . . 0.0 109.984 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -93.27 -5.98 48.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.829 1.252 . . . . 0.0 113.644 -171.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 28.36 54.18 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.625 1.107 . . . . 0.0 113.458 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -80.76 89.19 5.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.459 1.504 . . . . 0.0 109.773 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.61 110.72 8.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.604 0.762 . . . . 0.0 112.123 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.9 m -134.86 144.56 47.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.136 2.174 . . . . 0.0 110.622 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -79.81 164.1 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.138 0.575 . . . . 0.0 111.082 160.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.17 -38.26 51.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.287 1.035 . . . . 0.0 112.661 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.01 -28.93 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.77 -27.9 22.03 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.043 0.937 . . . . 0.0 112.143 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.13 -47.29 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 119.677 1.126 . . . . 0.0 110.117 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.03 -28.19 69.41 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.606 0.762 . . . . 0.0 112.299 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -59.58 -37.72 79.25 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.674 -1.266 . . . . 0.0 112.449 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.88 -34.25 64.37 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.362 0.983 . . . . 0.0 112.053 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.85 -44.1 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.003 0.82 . . . . 0.0 110.5 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.79 -41.99 83.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.281 173.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.97 -46.61 83.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.336 0.971 . . . . 0.0 111.599 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.8 m -56.1 -39.87 72.82 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.716 1.143 . . . . 0.0 112.21 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -75.36 -42.59 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.028 1.331 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -69.39 -43.1 74.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.544 0.738 . . . . 0.0 112.219 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.71 -17.06 32.59 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.198 0.999 . . . . 0.0 112.95 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.17 58.45 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.249 0.928 . . . . 0.0 111.453 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -127.84 140.64 51.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.467 1.507 . . . . 0.0 110.684 -164.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.26 141.13 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.843 0.857 . . . . 0.0 112.726 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -63.42 -21.3 66.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.931 1.693 . . . . 0.0 115.415 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.03 -22.34 66.79 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.637 1.108 . . . . 0.0 112.569 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.98 -50.42 6.89 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -37.37 84.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.285 1.034 . . . . 0.0 112.637 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -79.58 -44.95 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.621 0.768 . . . . 0.0 111.199 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -44.64 47.53 Favored Glycine 0 N--CA 1.47 0.929 0 CA-C-N 118.993 0.815 . . . . 0.0 114.313 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -76.38 -22.19 55.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 117.833 0.816 . . . . 0.0 112.646 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.35 -28.98 68.41 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.835 1.254 . . . . 0.0 112.675 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.63 -42.96 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.538 0.735 . . . . 0.0 111.004 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.62 84.16 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 112.127 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.58 -47.99 73.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.562 0.745 . . . . 0.0 111.33 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -62.25 -35.34 78.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.2 m -65.05 -47.01 78.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.365 1.066 . . . . 0.0 111.185 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.2 m -64.22 -34.58 78.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.5 p -83.62 -15.02 50.6 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 71.2 7.41 6.12 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 128.306 2.643 . . . . 0.0 113.237 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.55 127.24 32.66 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.722 -1.236 . . . . 0.0 112.707 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.26 -12.17 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 124.517 1.127 . . . . 0.0 113.969 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.68 150.5 20.85 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.275 1.893 . . . . 0.0 112.361 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.66 162.41 13.09 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.613 1.165 . . . . 0.0 112.08 -173.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.3 p -134.49 165.38 25.33 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.747 . . . . 0.0 110.766 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.9 p -59.09 -25.2 63.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.33 -43.29 51.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.888 0.875 . . . . 0.0 111.405 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.5 mt -61.85 -49.35 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-N 119.37 0.987 . . . . 0.0 110.863 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.33 -20.33 61.5 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -72.61 -50.33 26.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.285 0.948 . . . . 0.0 111.049 167.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -64.2 -29.13 70.25 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.095 -1.003 . . . . 0.0 113.369 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -55.04 -30.87 60.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.62 1.168 . . . . 0.0 113.536 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.4 -39.31 90.23 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.29 0.636 . . . . 0.0 112.35 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -91.07 -26.1 19.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.935 1.294 . . . . 0.0 112.873 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.26 -24.42 60.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.549 1.539 . . . . 0.0 112.77 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -148.77 -45.49 0.15 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.9 -48.87 27.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.072 0.851 . . . . 0.0 113.192 -168.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.5 p -68.87 -23.91 64.28 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.037 -1.039 . . . . 0.0 113.259 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -65.01 -29.54 70.46 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.565 1.146 . . . . 0.0 113.785 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -118.19 -3.23 11.06 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.19 1.396 . . . . 0.0 114.712 -170.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -56.83 124.84 19.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.329 1.451 . . . . 0.0 113.108 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 p -81.24 -23.39 38.07 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -71.14 -20.18 62.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.635 1.174 . . . . 0.0 113.444 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.81 -10.79 49.86 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.411 1.484 . . . . 0.0 113.977 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.284 1.434 . . . . 0.0 112.938 -176.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mtp . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -163.68 169.02 19.09 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.869 1.267 . . . . 0.0 112.19 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.76 87.03 2.21 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.773 1.229 . . . . 0.0 111.016 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 t -70.76 137.51 49.69 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.78 71.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.676 1.19 . . . . 0.0 113.66 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -70.92 -27.83 64.07 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -79.6 -29.46 41.17 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.503 0.721 . . . . 0.0 110.702 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.8 -46.18 72.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.425 0.69 . . . . 0.0 110.625 169.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.97 69.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.457 1.103 . . . . 0.0 113.586 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.77 -25.21 68.1 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.292 1.037 . . . . 0.0 112.421 173.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -85.12 -40.82 16.31 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.307 0.958 . . . . 0.0 112.198 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.49 -43.34 64.97 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.189 0.904 . . . . 0.0 112.06 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -9.9 58.77 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.626 1.17 . . . . 0.0 114.031 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -86.06 -41.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.71 1.141 . . . . 0.0 109.915 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -81.29 -21.29 39.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.27 20.23 42.74 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.796 1.188 . . . . 0.0 113.873 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.44 155.87 40.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.803 1.241 . . . . 0.0 111.125 174.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.44 28.36 3.68 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.539 1.135 . . . . 0.0 113.737 -165.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -58.97 128.06 35.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.116 -0.99 . . . . 0.0 110.928 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.02 170.34 14.04 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.223 0.609 . . . . 0.0 111.036 166.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -54.41 -37.35 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.847 0.859 . . . . 0.0 112.522 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.73 -24.3 64.44 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.17 -31.93 14.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.145 0.978 . . . . 0.0 111.867 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.5 -42.76 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.594 1.088 . . . . 0.0 110.364 168.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.31 -31.91 62.03 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 172.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -69.96 -40.11 75.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.23 -36.84 71.97 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.517 1.053 . . . . 0.0 110.868 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.44 -42.87 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 118.46 0.573 . . . . 0.0 111.226 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.25 -43.26 78.52 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.083 0.856 . . . . 0.0 111.687 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.72 -47.53 85.88 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 111.279 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.1 -32.42 68.08 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.867 -1.146 . . . . 0.0 113.315 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.22 -41.01 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.29 1.436 . . . . 0.0 111.765 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -75.77 -36.36 59.85 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.079 0.854 . . . . 0.0 113.054 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -100.53 -10.18 21.3 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.36 3.66 58.21 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.917 1.246 . . . . 0.0 114.442 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -85.18 148.54 26.05 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.563 1.545 . . . . 0.0 110.85 -174.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -67.53 156.3 37.04 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.017 0.913 . . . . 0.0 113.158 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -54.07 -35.66 62.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.188 2.195 . . . . 0.0 113.452 -174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.89 -33.59 70.68 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.798 1.239 . . . . 0.0 113.157 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 -32.97 56.52 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.814 0.721 . . . . 0.0 112.638 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -43.05 22.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.486 1.115 . . . . 0.0 111.235 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.7 t -74.62 -42.98 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.607 0.763 . . . . 0.0 112.476 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -30.48 61.87 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 118.664 0.666 . . . . 0.0 114.047 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -82.75 -18.07 42.03 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.064 0.932 . . . . 0.0 112.986 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -65.27 -23.01 66.93 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.993 -1.067 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.04 -37.17 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.096 0.958 . . . . 0.0 111.436 175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.11 -21.96 66.38 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.004 0.922 . . . . 0.0 112.847 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.54 -66.9 0.78 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.899 0.879 . . . . 0.0 109.339 167.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m -63.45 -37.53 87.65 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -72.51 -32.09 65.87 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.797 . . . . 0.0 111.693 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -75.95 -39.75 55.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.65 0.78 . . . . 0.0 112.529 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 p -78.56 -27.1 45.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 112.758 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.3 m80 78.07 5.1 2.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.685 2.794 . . . . 0.0 112.94 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.01 119.17 12.89 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 111.54 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -83.22 -13.93 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.538 1.135 . . . . 0.0 113.098 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.98 156.27 22.84 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.433 1.492 . . . . 0.0 112.1 172.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.0 139.72 51.96 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.144 1.777 . . . . 0.0 109.485 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 p -145.03 162.6 36.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.669 1.588 . . . . 0.0 110.649 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 m -58.11 -32.51 68.18 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.643 -0.661 . . . . 0.0 112.072 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.96 -39.68 75.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.081 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.6 -44.05 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.912 0.778 . . . . 0.0 110.826 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.23 -31.98 62.82 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.188 0.904 . . . . 0.0 113.231 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -73.44 -26.93 61.16 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.513 1.051 . . . . 0.0 112.59 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.8 t -69.96 -39.24 76.14 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.199 -1.563 . . . . 0.0 111.897 168.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -60.5 -34.78 74.58 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.094 -1.004 . . . . 0.0 113.296 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.66 -44.16 76.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.971 0.508 . . . . 0.0 111.273 171.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -75.8 -26.0 56.89 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -70.03 -25.46 63.58 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.615 1.566 . . . . 0.0 113.429 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -153.36 -39.6 0.1 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.08 -47.28 11.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.638 1.108 . . . . 0.0 112.545 -169.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -16.84 62.79 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -73.44 -3.86 30.11 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.542 1.137 . . . . 0.0 113.623 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 89.72 138.35 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 130.896 3.678 . . . . 0.0 110.336 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.2 tp -129.86 86.88 2.46 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.7 1.2 . . . . 0.0 111.675 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.4 m -69.2 -5.46 22.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.353 1.461 . . . . 0.0 114.502 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.98 -14.78 63.21 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.931 1.292 . . . . 0.0 114.037 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.25 -40.89 0.1 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.951 1.3 . . . . 0.0 114.296 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 . . . . . 0 C--O 1.251 1.137 0 C-N-CA 124.518 1.127 . . . . 0.0 112.466 178.439 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -76.95 -21.19 55.16 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -169.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.16 54.28 0.18 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.145 1.378 . . . . 0.0 111.591 -173.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t -69.5 135.78 50.59 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.073 -1.017 . . . . 0.0 110.733 171.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.62 77.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.531 0.732 . . . . 0.0 112.414 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -74.26 -33.86 63.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.538 0.735 . . . . 0.0 111.338 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -71.76 -35.8 70.21 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.065 0.946 . . . . 0.0 111.371 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.9 -43.6 71.41 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.857 0.863 . . . . 0.0 111.461 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.02 -24.43 66.16 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.15 -33.09 72.86 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.874 0.761 . . . . 0.0 112.217 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.81 -47.32 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.838 0.745 . . . . 0.0 110.15 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.51 -36.77 69.56 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.593 1.157 . . . . 0.0 112.154 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.83 -31.42 72.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.792 1.637 . . . . 0.0 112.939 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.67 -42.98 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 121.436 -0.79 . . . . 0.0 110.844 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -94.82 -2.64 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.75 48.75 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.446 1.022 . . . . 0.0 114.602 172.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.42 94.22 8.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.514 1.157 . . . . 0.0 109.416 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -79.19 51.33 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.542 1.537 . . . . 0.0 112.054 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.3 145.62 54.95 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.015 1.326 . . . . 0.0 112.049 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.97 161.54 29.99 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.545 0.738 . . . . 0.0 111.909 170.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.02 -36.21 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.058 0.943 . . . . 0.0 111.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.39 68.35 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.515 -0.741 . . . . 0.0 112.988 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.96 -35.47 22.02 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.554 0.742 . . . . 0.0 111.78 172.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.32 -46.25 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.869 1.213 . . . . 0.0 110.61 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.8 -34.76 67.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.161 0.984 . . . . 0.0 112.209 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.45 -41.36 96.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.161 0.891 . . . . 0.0 112.661 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.39 -35.93 60.98 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.558 1.072 . . . . 0.0 112.015 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.09 -43.42 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.028 0.831 . . . . 0.0 111.03 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.51 -37.79 87.43 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.698 -0.626 . . . . 0.0 112.097 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.73 -46.75 86.64 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.588 -1.32 . . . . 0.0 111.291 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.8 m -58.34 -33.32 69.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.964 0.905 . . . . 0.0 112.398 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.14 -41.2 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.432 1.093 . . . . 0.0 112.014 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -43.24 23.76 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.75 0.704 . . . . 0.0 112.667 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -88.47 -21.29 24.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.082 0.953 . . . . 0.0 113.215 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.4 3.09 69.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.45 1.024 . . . . 0.0 114.691 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -82.99 151.36 25.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.03 1.332 . . . . 0.0 109.959 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -68.85 164.73 21.34 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -61.19 -35.22 76.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.284 1.434 . . . . 0.0 111.922 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.42 -37.01 76.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.667 1.187 . . . . 0.0 111.945 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.75 64.96 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 123.915 0.769 . . . . 0.0 112.174 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -53.82 38.73 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.926 0.891 . . . . 0.0 110.99 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.92 -39.27 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.16 0.584 . . . . 0.0 112.185 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -41.8 94.22 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.957 0.798 . . . . 0.0 113.298 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.83 -27.09 60.14 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 117.684 0.742 . . . . 0.0 112.382 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.76 -38.47 76.78 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.707 0.685 . . . . 0.0 111.686 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.7 mt -60.15 -46.34 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.137 0.975 . . . . 0.0 110.657 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.01 88.74 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.96 0.504 . . . . 0.0 111.52 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -66.05 -51.8 54.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -68.35 -27.26 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.461 1.028 . . . . 0.0 113.538 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -67.69 -44.32 78.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.989 0.916 . . . . 0.0 110.559 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 t -63.95 -41.38 97.61 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.6 p -79.62 -28.78 40.94 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 70.75 8.57 6.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 127.36 2.264 . . . . 0.0 114.264 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -70.68 152.95 43.3 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.219 -1.551 . . . . 0.0 112.126 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.1 m -76.27 129.26 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.073 0.949 . . . . 0.0 110.617 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.24 -168.5 37.88 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 123.96 0.791 . . . . 0.0 113.74 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 159.56 40.3 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.672 1.589 . . . . 0.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -134.02 167.02 21.39 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.037 1.735 . . . . 0.0 111.372 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -63.66 -21.54 66.43 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -77.77 -43.39 30.89 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.212 1.005 . . . . 0.0 111.049 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.43 -47.06 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.422 -0.799 . . . . 0.0 110.187 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.4 -13.59 61.89 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -79.24 -45.76 19.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.629 1.104 . . . . 0.0 110.818 164.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -63.06 -31.43 72.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.159 0.984 . . . . 0.0 113.091 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -57.84 -29.18 64.76 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.148 1.379 . . . . 0.0 114.034 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.28 -38.8 90.75 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.601 -0.687 . . . . 0.0 111.799 173.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -78.88 -27.14 43.95 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.066 -1.021 . . . . 0.0 112.283 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -67.84 -28.82 67.88 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.029 1.332 . . . . 0.0 113.191 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -151.69 -44.45 0.11 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.41 -42.18 65.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.604 1.093 . . . . 0.0 112.714 -169.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.9 t -74.27 -16.68 60.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.399 1.08 . . . . 0.0 113.29 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -62.73 -29.85 70.99 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.671 -1.268 . . . . 0.0 113.492 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 167.28 141.45 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 129.533 3.133 . . . . 0.0 111.328 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.4 tp -116.56 113.6 22.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.822 1.649 . . . . 0.0 109.148 166.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -65.54 -17.88 64.9 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -76.29 -19.14 58.56 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.767 1.227 . . . . 0.0 113.301 172.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.18 -21.52 9.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.002 1.721 . . . . 0.0 114.496 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 124.491 1.116 . . . . 0.0 113.531 -178.782 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -72.69 152.3 41.76 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.71 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.842 2.457 . . . . 0.0 113.501 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t 80.35 147.86 0.09 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.186 2.594 . . . . 0.0 112.962 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.94 97.43 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.205 1.002 . . . . 0.0 113.106 -171.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -67.09 -25.82 66.41 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -79.38 -42.69 25.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.99 0.516 . . . . 0.0 111.093 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.11 -40.18 78.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.918 -0.489 . . . . 0.0 111.821 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.78 70.05 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.83 -33.81 76.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 111.502 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -70.99 -44.06 66.73 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.119 0.872 . . . . 0.0 111.277 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.8 mt -54.44 -39.6 67.55 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 123.908 0.883 . . . . 0.0 111.797 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -66.74 -29.79 69.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.51 1.124 . . . . 0.0 113.086 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.44 -42.64 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.55 1.068 . . . . 0.0 111.194 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.74 -11.69 58.11 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 20.85 57.61 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.225 1.393 . . . . 0.0 114.212 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.34 121.41 21.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.608 1.163 . . . . 0.0 110.955 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.83 146.15 35.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.195 0.998 . . . . 0.0 111.187 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.9 p -164.32 -179.76 6.28 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -170.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.74 168.26 23.38 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.854 2.462 . . . . 0.0 108.411 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.73 -38.39 47.17 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.417 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.05 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.42 -33.97 21.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.84 -47.28 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.311 -0.868 . . . . 0.0 110.071 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.1 -34.49 72.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.967 0.907 . . . . 0.0 112.158 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -61.04 -33.11 72.79 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.958 -1.089 . . . . 0.0 113.028 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.34 -39.0 15.72 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.625 1.102 . . . . 0.0 112.479 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.57 -35.03 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 119.528 1.058 . . . . 0.0 111.416 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.36 -37.64 72.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.86 0.864 . . . . 0.0 112.062 171.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.73 -46.58 81.67 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.293 0.951 . . . . 0.0 110.534 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.35 -39.98 77.1 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.495 0.718 . . . . 0.0 112.376 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.75 -40.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.784 1.233 . . . . 0.0 111.601 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -76.95 -44.44 31.4 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.787 0.835 . . . . 0.0 112.903 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.65 -16.02 31.4 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.756 1.222 . . . . 0.0 113.84 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.81 33.58 66.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.883 0.754 . . . . 0.0 112.765 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -120.18 148.9 43.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.14 1.376 . . . . 0.0 111.46 -170.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -65.6 151.11 47.24 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 0.0 113.614 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.12 -39.7 60.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.308 1.843 . . . . 0.0 113.336 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.16 -32.37 73.74 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.705 1.202 . . . . 0.0 111.885 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.64 -21.5 74.76 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.484 1.04 . . . . 0.0 112.869 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.5 mmt -87.81 -61.15 1.78 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.889 0.876 . . . . 0.0 110.455 167.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.8 -40.58 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.183 0.993 . . . . 0.0 112.051 -165.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.77 -32.71 61.02 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 118.584 0.629 . . . . 0.0 113.094 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -78.75 -29.05 44.97 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.695 0.798 . . . . 0.0 111.851 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.21 -30.37 71.43 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.994 0.918 . . . . 0.0 112.085 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.0 mm -58.88 -52.46 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.688 0.677 . . . . 0.0 110.463 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.76 -37.45 79.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.391 0.676 . . . . 0.0 112.167 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.6 -47.35 72.96 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.708 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.31 -42.11 94.89 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.999 0.818 . . . . 0.0 112.257 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.4 m -61.98 -41.76 98.38 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.912 1.285 . . . . 0.0 111.095 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.6 m -68.21 -38.25 81.72 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.5 p -82.61 -24.54 33.82 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.718 0.807 . . . . 0.0 112.659 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.2 m80 85.82 0.16 0.7 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 130.181 3.392 . . . . 0.0 113.121 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -77.38 164.45 25.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.643 1.177 . . . . 0.0 111.956 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.76 150.52 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.837 1.655 . . . . 0.0 110.296 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.82 -11.01 73.26 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.611 1.1 . . . . 0.0 114.527 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.8 mt 69.72 164.63 0.26 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.118 2.567 . . . . 0.0 114.506 167.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 t -175.74 154.94 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.696 2.799 . . . . 0.0 108.322 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -52.8 -37.04 59.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.468 1.107 . . . . 0.0 113.476 -170.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.73 -37.68 79.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.654 1.182 . . . . 0.0 112.514 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.07 -43.34 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.423 -0.798 . . . . 0.0 109.991 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.69 -34.74 72.29 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.455 -0.778 . . . . 0.0 112.759 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.62 -36.8 84.77 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.505 0.722 . . . . 0.0 111.306 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.1 m -70.29 -41.7 73.01 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.286 -0.884 . . . . 0.0 112.279 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -53.99 -33.09 56.14 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.106 1.363 . . . . 0.0 114.056 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.5 -34.37 64.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.841 0.856 . . . . 0.0 112.263 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.48 -5.71 51.29 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.703 1.201 . . . . 0.0 113.375 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.51 -31.83 19.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.419 1.088 . . . . 0.0 112.676 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -140.23 -43.03 0.42 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.2 -40.0 68.18 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.415 1.007 . . . . 0.0 112.658 -169.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.2 p -76.08 -14.54 60.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -67.31 -46.14 74.39 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.064 0.946 . . . . 0.0 112.84 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 174.46 138.12 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 128.772 2.829 . . . . 0.0 109.471 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.0 tp -137.63 126.25 23.69 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.256 1.422 . . . . 0.0 108.513 158.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.1 m -79.33 -13.51 59.6 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -89.94 143.99 26.31 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.431 1.892 . . . . 0.0 111.755 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 69.99 -41.72 0.49 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.236 2.615 . . . . 0.0 115.438 173.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 . . . . . 0 C--O 1.255 1.373 0 C-N-CA 126.612 1.965 . . . . 0.0 112.927 177.147 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 p -88.9 156.94 18.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.901 0.88 . . . . 0.0 113.247 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -169.9 -60.59 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.354 1.862 . . . . 0.0 112.089 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.5 p -117.18 2.69 12.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.266 1.426 . . . . 0.0 114.662 -171.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.7 -42.75 35.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.953 1.701 . . . . 0.0 114.482 -170.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -67.34 -25.56 66.05 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.246 1.418 . . . . 0.0 112.563 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -93.74 -43.33 8.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.173 . . . . 0.0 111.09 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.41 -44.25 76.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.689 1.196 . . . . 0.0 111.943 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -26.0 63.35 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.86 -22.24 56.4 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.731 0.696 . . . . 0.0 112.799 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.65 -39.51 36.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.2 0.909 . . . . 0.0 111.36 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt -52.68 -46.89 67.45 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.526 0.731 . . . . 0.0 111.956 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.73 -15.91 62.21 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.64 -44.52 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.991 1.269 . . . . 0.0 110.194 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -79.51 -16.08 56.64 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.36 17.85 51.41 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.843 1.211 . . . . 0.0 113.886 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.11 158.8 34.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.575 1.188 . . . . 0.0 111.173 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -145.95 128.18 15.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.804 1.242 . . . . 0.0 110.654 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.0 m -140.2 145.26 37.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.93 1.692 . . . . 0.0 111.062 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -71.84 162.75 28.98 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.837 0.455 . . . . 0.0 110.829 159.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.04 -36.25 62.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.05 65.29 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 mt -89.36 -29.26 19.24 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 0.0 112.296 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 98.3 mt -60.89 -50.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.964 1.256 . . . . 0.0 109.168 166.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.25 -33.72 54.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.194 0.998 . . . . 0.0 112.546 170.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -66.94 -27.05 67.16 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.962 1.255 . . . . 0.0 113.732 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.61 -39.28 18.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.515 1.052 . . . . 0.0 111.754 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.4 t -61.83 -34.27 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.688 0.676 . . . . 0.0 111.616 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.06 -38.6 62.62 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.348 1.459 . . . . 0.0 112.0 171.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.36 -42.91 82.7 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.516 -0.74 . . . . 0.0 110.694 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.5 -36.32 80.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.655 0.782 . . . . 0.0 112.634 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.23 -42.49 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 0.0 111.257 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.84 -49.17 18.76 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.768 1.227 . . . . 0.0 112.739 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.49 -18.73 20.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.408 1.483 . . . . 0.0 113.576 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.91 80.35 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.636 1.112 . . . . 0.0 114.04 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.68 147.42 25.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.767 1.627 . . . . 0.0 110.787 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -65.61 155.34 36.13 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 112.774 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -64.44 -28.09 69.44 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.628 1.171 . . . . 0.0 113.498 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.39 -30.89 71.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.009 0.924 . . . . 0.0 112.133 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.54 -15.68 79.26 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.536 1.541 . . . . 0.0 112.841 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 mmt -87.83 -59.93 2.11 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.085 0.954 . . . . 0.0 109.773 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.76 -43.24 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.819 0.848 . . . . 0.0 111.695 -171.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.79 77.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 119.168 0.895 . . . . 0.0 113.379 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -80.41 -27.14 38.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 117.798 0.799 . . . . 0.0 112.34 175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.99 -33.31 75.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 111.92 173.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.94 -48.32 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.46 0.704 . . . . 0.0 110.77 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.28 94.42 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.87 0.759 . . . . 0.0 112.141 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -62.27 -33.31 74.38 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.194 0.998 . . . . 0.0 112.852 176.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.93 -36.39 21.46 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -69.63 -43.9 71.72 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.904 1.282 . . . . 0.0 111.699 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 p -92.53 -25.77 18.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.534 1.534 . . . . 0.0 113.319 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.7 m80 83.09 20.59 0.2 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.78 2.832 . . . . 0.0 112.423 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -63.47 149.56 45.79 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.601 -1.312 . . . . 0.0 112.626 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.4 132.77 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 109.111 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.64 -177.45 51.53 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.18 0.895 . . . . 0.0 113.541 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.3 mt -136.16 156.94 47.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.667 1.587 . . . . 0.0 111.325 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -172.98 156.59 3.34 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.818 2.447 . . . . 0.0 108.721 -171.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 m -52.53 -31.62 36.46 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.353 1.461 . . . . 0.0 114.543 -169.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.5 -36.87 83.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.087 0.955 . . . . 0.0 112.261 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -72.96 -39.77 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.063 -1.023 . . . . 0.0 110.251 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.68 -33.21 68.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.58 -45.37 93.23 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.597 -0.689 . . . . 0.0 111.283 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.2 m -66.88 -34.14 77.14 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.346 -0.846 . . . . 0.0 112.766 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.53 -33.11 73.27 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.661 1.118 . . . . 0.0 113.471 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.81 -44.36 96.99 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.331 -0.856 . . . . 0.0 111.498 172.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -74.16 -29.33 61.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.936 0.894 . . . . 0.0 112.659 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -68.81 -34.09 74.94 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.356 1.863 . . . . 0.0 112.825 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -144.98 -42.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.73 -39.19 73.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.364 1.438 . . . . 0.0 112.031 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.4 m -68.54 -17.79 64.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 170.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -90.13 -32.79 16.5 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.825 1.25 . . . . 0.0 113.995 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -164.3 126.01 2.27 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.678 1.591 . . . . 0.0 111.947 -168.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.6 tp -97.35 112.15 24.1 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.705 1.602 . . . . 0.0 108.103 154.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.8 m -70.16 -14.34 62.6 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -171.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -83.5 -13.49 54.49 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.709 1.204 . . . . 0.0 113.215 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.62 -34.76 7.64 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.745 1.618 . . . . 0.0 113.05 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.072 1.749 . . . . 0.0 111.461 176.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -84.71 41.54 0.86 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.998 1.319 . . . . 0.0 113.967 -171.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.45 61.4 2.24 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.691 1.596 . . . . 0.0 112.555 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 m -62.06 128.66 37.18 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.001 -1.062 . . . . 0.0 113.04 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.17 74.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.112 0.965 . . . . 0.0 113.238 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -66.42 -34.02 77.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.92 0.888 . . . . 0.0 112.15 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -74.64 -33.01 62.45 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.977 0.808 . . . . 0.0 111.297 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.3 -47.5 73.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.345 0.658 . . . . 0.0 110.99 169.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.97 76.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.502 1.121 . . . . 0.0 113.047 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.18 -30.66 71.58 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -29.39 55.73 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.6 mt -50.22 -46.37 54.59 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.543 1.137 . . . . 0.0 112.664 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -65.08 -23.77 67.26 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.414 1.085 . . . . 0.0 113.071 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.25 -36.95 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.098 0.959 . . . . 0.0 111.03 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -86.87 -8.63 57.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.224 1.41 . . . . 0.0 113.2 174.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 11.39 74.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.662 1.125 . . . . 0.0 114.12 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.17 162.71 27.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.609 1.164 . . . . 0.0 111.633 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.94 123.03 4.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.974 1.71 . . . . 0.0 109.333 172.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -137.24 150.64 47.99 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.031 1.333 . . . . 0.0 111.574 -172.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -79.39 162.35 25.58 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.771 0.828 . . . . 0.0 111.939 168.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -53.77 -37.67 63.68 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.501 1.12 . . . . 0.0 112.194 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.62 68.29 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.02 -38.97 18.58 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.553 0.741 . . . . 0.0 110.587 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.83 -42.52 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.983 0.913 . . . . 0.0 111.355 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.17 -34.25 66.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.87 0.868 . . . . 0.0 112.335 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -67.8 -29.75 69.01 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.741 1.155 . . . . 0.0 112.98 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.93 -40.45 24.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.968 1.258 . . . . 0.0 111.418 171.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.36 -40.13 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.424 0.689 . . . . 0.0 111.165 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.14 -48.81 61.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 111.564 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.28 -43.51 86.2 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.357 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.29 -39.69 76.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.268 0.94 . . . . 0.0 112.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.02 -41.56 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 111.871 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -73.54 -42.26 61.93 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.89 0.876 . . . . 0.0 112.856 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -95.01 -16.39 22.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.757 1.223 . . . . 0.0 113.652 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.26 7.22 86.86 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.214 1.388 . . . . 0.0 114.466 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.06 142.89 27.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.856 1.263 . . . . 0.0 110.368 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -71.31 158.26 36.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.933 1.349 . . . . 0.0 114.235 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.88 -36.97 68.21 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.587 2.755 . . . . 0.0 113.207 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.05 -28.29 68.96 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.567 1.147 . . . . 0.0 112.695 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.18 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.9 0.762 . . . . 0.0 111.54 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.86 89.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.004 0.922 . . . . 0.0 112.269 177.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -74.69 -42.98 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.013 0.925 . . . . 0.0 111.703 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.83 -42.62 9.62 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 118.804 0.729 . . . . 0.0 114.464 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -75.63 -20.77 58.27 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.651 1.225 . . . . 0.0 112.378 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -28.04 69.71 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.858 1.263 . . . . 0.0 112.43 173.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.05 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.122 0.969 . . . . 0.0 110.936 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.54 75.0 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.118 0.967 . . . . 0.0 112.762 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.32 -44.59 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.315 0.646 . . . . 0.0 111.073 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.3 -42.53 99.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.04 0.936 . . . . 0.0 112.74 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -69.95 -45.23 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.861 0.755 . . . . 0.0 112.123 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.0 t -61.43 -40.31 93.98 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.225 1.01 . . . . 0.0 112.943 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.0 p -80.46 -18.3 49.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.5 m80 71.96 10.67 6.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 128.05 2.54 . . . . 0.0 113.213 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -72.27 157.68 37.26 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.869 1.268 . . . . 0.0 112.923 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.31 148.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.953 1.701 . . . . 0.0 110.254 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 172.04 39.82 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.296 0.95 . . . . 0.0 112.914 -171.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.6 mt -136.15 153.97 51.11 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.423 1.489 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 t -172.49 155.37 3.4 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.346 2.258 . . . . 0.0 109.259 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -54.85 -30.28 57.21 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -164.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.14 -33.6 75.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.794 0.838 . . . . 0.0 112.527 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.3 mt -73.2 -42.71 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.304 1.042 . . . . 0.0 109.844 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.55 -32.32 69.71 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.732 -0.605 . . . . 0.0 112.586 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -66.99 -40.12 87.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.98 0.912 . . . . 0.0 111.613 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -66.14 -40.13 90.36 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.282 -0.886 . . . . 0.0 112.261 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -53.62 -31.28 46.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.216 1.407 . . . . 0.0 114.254 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -54.41 -34.94 62.31 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.994 0.918 . . . . 0.0 112.7 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.27 -15.44 24.49 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 112.76 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.63 -17.85 40.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.541 1.136 . . . . 0.0 113.106 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -152.04 -49.71 0.11 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.51 -44.65 74.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.868 1.213 . . . . 0.0 113.569 -169.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -65.93 -23.98 66.73 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.09 -42.05 48.51 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.08 -1.013 . . . . 0.0 111.32 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -74.73 -46.61 36.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.104 1.761 . . . . 0.0 112.552 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.3 tp -86.99 108.02 18.66 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.575 0.75 . . . . 0.0 110.536 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.2 p -65.96 -16.69 64.11 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -72.08 -36.1 69.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.873 1.269 . . . . 0.0 111.664 171.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.37 -22.25 21.58 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.177 1.391 . . . . 0.0 113.496 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.766 2.026 . . . . 0.0 113.909 -177.661 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -156.68 153.68 28.88 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.932 1.293 . . . . 0.0 111.397 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.18 -23.22 60.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.512 0.725 . . . . 0.0 112.726 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t 76.66 131.83 0.05 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 128.003 2.521 . . . . 0.0 113.808 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.96 85.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.409 1.084 . . . . 0.0 112.743 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -70.37 -28.1 64.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.798 0.839 . . . . 0.0 112.311 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -81.43 -27.63 34.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.412 0.685 . . . . 0.0 111.853 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -82.51 -45.21 14.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.033 0.933 . . . . 0.0 112.172 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.09 65.33 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -170.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.16 -33.08 73.81 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.0 -22.85 55.39 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.01 -48.56 64.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.703 1.201 . . . . 0.0 112.205 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -72.12 -11.54 60.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.563 1.145 . . . . 0.0 113.748 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -73.59 -40.17 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.065 0.848 . . . . 0.0 109.939 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.03 -13.88 49.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.907 1.283 . . . . 0.0 113.188 174.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.01 11.95 59.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.21 1.386 . . . . 0.0 114.255 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -74.07 160.32 31.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.561 1.18 . . . . 0.0 111.016 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -153.71 133.44 13.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.417 1.487 . . . . 0.0 109.527 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -130.69 148.07 52.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.895 1.278 . . . . 0.0 111.891 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.12 161.0 29.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.17 0.588 . . . . 0.0 111.135 162.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -55.2 -34.89 64.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.319 1.048 . . . . 0.0 112.583 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.89 -30.71 70.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.638 0.775 . . . . 0.0 112.92 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.07 -34.25 22.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.723 0.809 . . . . 0.0 111.576 174.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.5 -47.06 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.424 1.011 . . . . 0.0 110.082 171.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -56.16 -39.03 71.71 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.478 1.111 . . . . 0.0 111.745 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -58.28 -46.54 85.87 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.529 1.058 . . . . 0.0 112.108 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.14 -38.1 72.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.682 1.128 . . . . 0.0 112.268 176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.06 -41.21 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.38 0.991 . . . . 0.0 110.989 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.22 -37.49 80.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.882 0.765 . . . . 0.0 111.99 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.8 -47.24 81.69 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.85 1.205 . . . . 0.0 110.546 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.7 m -58.04 -36.08 72.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.44 -40.65 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.424 1.09 . . . . 0.0 111.678 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.18 -50.47 10.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.991 0.814 . . . . 0.0 112.855 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -82.36 -19.68 38.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.945 1.298 . . . . 0.0 113.396 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.31 4.11 88.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.249 1.404 . . . . 0.0 114.799 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.88 148.49 25.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.07 1.348 . . . . 0.0 111.202 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.52 151.2 47.77 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -41.89 70.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.411 2.284 . . . . 0.0 113.859 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.29 -21.78 66.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.172 -0.955 . . . . 0.0 113.332 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.84 -44.96 11.17 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.143 0.878 . . . . 0.0 111.138 170.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -44.54 94.88 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.165 0.986 . . . . 0.0 111.524 174.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.35 -41.59 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 118.731 0.696 . . . . 0.0 111.935 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.27 -44.97 32.64 Favored Glycine 0 N--CA 1.469 0.858 0 CA-C-N 118.702 0.683 . . . . 0.0 113.927 -172.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.21 -19.05 61.18 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.471 1.135 . . . . 0.0 112.889 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.92 -26.58 66.92 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.978 0.911 . . . . 0.0 112.284 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.55 -43.64 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.321 1.048 . . . . 0.0 110.738 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 -11.31 54.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.714 1.206 . . . . 0.0 113.725 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -94.43 -65.99 0.95 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.255 1.022 . . . . 0.0 110.741 166.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HG ' HD23 ' A' ' 57' ' ' LEU . 78.0 m -74.93 -38.88 61.66 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -164.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -77.95 -40.81 38.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.053 0.541 . . . . 0.0 110.415 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.0 m -63.81 -41.54 97.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 p -86.87 -7.93 57.75 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 m80 68.74 49.99 0.67 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.95 2.1 . . . . 0.0 112.252 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -70.22 161.19 30.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.583 1.153 . . . . 0.0 113.166 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.28 -17.19 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.57 -149.28 14.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.376 0.989 . . . . 0.0 113.14 -171.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD23 ' HG ' ' A' ' 49' ' ' CYS . 51.0 mt -129.34 142.36 50.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.081 1.752 . . . . 0.0 109.962 175.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -148.54 166.07 29.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.068 1.747 . . . . 0.0 110.342 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 p -57.0 -28.45 62.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -75.17 -40.91 59.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 111.778 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -68.58 -41.37 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.175 -0.953 . . . . 0.0 110.918 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.9 -24.47 55.63 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.461 1.028 . . . . 0.0 113.042 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -66.71 -43.55 84.02 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.336 0.971 . . . . 0.0 111.162 164.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -66.35 -31.42 72.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.258 -0.901 . . . . 0.0 112.641 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.35 -33.23 70.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.473 1.109 . . . . 0.0 112.964 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.82 -45.41 92.72 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.58 0.627 . . . . 0.0 110.807 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.48 -31.72 71.21 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.099 -1.001 . . . . 0.0 112.659 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -71.3 -25.78 62.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.544 1.138 . . . . 0.0 113.735 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -150.36 -48.42 0.13 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.2 -43.61 77.68 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.854 1.206 . . . . 0.0 112.451 -173.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -67.95 -22.28 65.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.095 0.958 . . . . 0.0 112.902 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -78.36 -21.8 48.92 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.854 -1.154 . . . . 0.0 112.854 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -108.97 -28.0 9.36 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.215 1.806 . . . . 0.0 114.03 -165.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.26 108.5 4.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.046 0.939 . . . . 0.0 111.91 -175.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.6 p -77.78 -7.77 57.05 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.71 -23.15 65.25 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.816 -1.178 . . . . 0.0 113.038 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.06 6.93 2.65 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.277 1.431 . . . . 0.0 113.997 -174.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 C--O 1.253 1.254 0 C-N-CA 125.692 1.597 . . . . 0.0 111.75 178.014 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -72.6 135.92 45.64 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.31 93.7 6.6 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.369 1.067 . . . . 0.0 109.516 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.0 p -138.27 162.72 33.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.898 1.279 . . . . 0.0 112.65 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.49 74.05 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.361 -0.837 . . . . 0.0 112.226 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -67.45 -29.25 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.22 1.008 . . . . 0.0 112.092 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.04 -56.91 4.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.875 0.87 . . . . 0.0 110.653 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.34 -33.66 76.36 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.29 -21.5 65.28 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -69.27 -26.84 64.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.03 0.832 . . . . 0.0 112.466 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.65 -35.27 24.71 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.964 0.802 . . . . 0.0 111.827 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.0 -36.09 67.52 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.443 1.019 . . . . 0.0 112.275 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -68.68 -17.68 64.13 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.193 1.397 . . . . 0.0 113.8 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -81.06 -41.82 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.307 0.958 . . . . 0.0 110.84 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -87.03 -13.28 44.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.575 1.15 . . . . 0.0 113.672 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.89 27.93 48.22 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.491 1.043 . . . . 0.0 113.38 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -77.77 101.38 6.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.313 1.445 . . . . 0.0 110.768 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -83.5 46.92 1.2 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.683 1.593 . . . . 0.0 112.167 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.05 143.55 54.26 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.718 1.207 . . . . 0.0 112.369 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.33 154.79 32.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.562 0.745 . . . . 0.0 111.058 167.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.85 -33.32 55.97 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.299 1.04 . . . . 0.0 112.893 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.84 70.17 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.56 -33.72 21.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.501 0.721 . . . . 0.0 111.477 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.03 -46.15 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.038 1.29 . . . . 0.0 109.99 173.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -56.3 -34.62 66.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.637 0.775 . . . . 0.0 112.346 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -65.96 -34.47 78.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.577 1.08 . . . . 0.0 112.911 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.89 -40.36 40.12 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.624 1.102 . . . . 0.0 111.54 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.28 -37.95 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.168 0.587 . . . . 0.0 111.465 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.03 -38.44 70.55 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.083 0.953 . . . . 0.0 112.005 173.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.26 -44.3 92.16 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.036 0.834 . . . . 0.0 110.802 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.13 -34.34 76.18 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.683 0.793 . . . . 0.0 112.278 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.53 -42.12 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.787 1.235 . . . . 0.0 111.515 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -75.71 -50.27 15.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.916 1.286 . . . . 0.0 112.361 -175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -85.33 -23.4 28.09 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.725 1.21 . . . . 0.0 113.373 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 7.6 82.91 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.606 1.098 . . . . 0.0 114.081 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -93.56 147.12 23.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.574 1.55 . . . . 0.0 110.643 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -68.35 147.22 52.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -27.96 53.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.171 1.788 . . . . 0.0 115.447 -174.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.75 -31.2 62.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.133 0.973 . . . . 0.0 113.366 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.84 -25.56 60.02 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.013 0.816 . . . . 0.0 112.964 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -82.88 -52.67 6.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.252 . . . . 0.0 110.884 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -74.58 -41.83 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 112.014 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.35 34.59 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 121.726 -0.609 . . . . 0.0 113.242 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -79.91 -19.17 48.76 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.859 0.83 . . . . 0.0 112.828 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.67 -32.49 73.57 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.055 0.942 . . . . 0.0 112.032 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -46.78 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.391 1.077 . . . . 0.0 111.245 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -33.63 75.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.482 1.113 . . . . 0.0 113.098 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -67.3 -50.04 61.81 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.698 0.799 . . . . 0.0 110.78 173.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.0 m -63.37 -39.1 93.61 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.004 0.922 . . . . 0.0 113.337 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.5 p -71.16 -45.71 62.93 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.507 1.048 . . . . 0.0 112.636 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -64.59 -32.37 73.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.7 p -90.53 -26.67 19.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.418 1.087 . . . . 0.0 113.139 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 71.89 32.11 1.94 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.904 2.082 . . . . 0.0 112.514 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.62 154.55 40.24 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.551 -1.343 . . . . 0.0 113.378 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -76.47 -6.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.82 -163.43 36.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.436 1.493 . . . . 0.0 112.747 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.2 mt -111.81 139.57 47.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.033 1.333 . . . . 0.0 111.369 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -146.61 162.44 38.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.89 2.476 . . . . 0.0 108.853 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 m -55.83 -30.63 61.74 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.84 -32.88 73.72 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.707 1.203 . . . . 0.0 112.505 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.8 mt -76.59 -40.65 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.096 0.958 . . . . 0.0 109.728 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.15 -29.83 64.43 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.691 0.678 . . . . 0.0 112.3 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.51 -45.86 85.43 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.786 0.721 . . . . 0.0 111.176 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -64.33 -34.85 79.09 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.322 -0.861 . . . . 0.0 112.976 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.53 -28.13 65.16 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -56.71 -38.79 72.8 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.415 0.686 . . . . 0.0 112.367 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -88.94 -13.88 37.97 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.794 1.238 . . . . 0.0 112.781 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -88.84 -20.47 24.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.85 1.26 . . . . 0.0 112.979 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -151.32 -43.96 0.11 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.37 -37.57 83.41 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.617 1.099 . . . . 0.0 113.345 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.7 p -71.15 -19.55 62.41 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -87.15 -29.17 22.0 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.702 1.201 . . . . 0.0 113.468 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -156.03 124.15 5.73 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.034 1.334 . . . . 0.0 111.745 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.9 tp -125.7 128.76 48.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.385 2.274 . . . . 0.0 108.709 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.9 m -60.08 -19.7 54.43 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -74.07 -22.44 59.52 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.47 1.108 . . . . 0.0 113.199 173.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.15 -20.52 10.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.252 1.821 . . . . 0.0 113.974 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.97 0 C-N-CA 124.388 1.075 . . . . 0.0 113.376 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -75.82 170.26 16.56 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.21 67.16 3.13 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.24 1.016 . . . . 0.0 111.409 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.4 m -67.24 126.67 29.95 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.243 1.017 . . . . 0.0 112.846 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -25.79 67.12 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -60.5 -29.8 69.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.077 1.351 . . . . 0.0 112.097 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.51 -32.2 69.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.869 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.72 -40.68 24.91 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.105 0.962 . . . . 0.0 111.0 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.94 67.91 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.273 1.029 . . . . 0.0 113.601 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.68 -29.66 70.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.127 0.971 . . . . 0.0 113.278 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -75.19 -36.66 61.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.398 0.999 . . . . 0.0 112.022 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.4 mt -56.57 -36.08 68.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.917 1.287 . . . . 0.0 112.36 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.79 -14.7 59.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.313 1.045 . . . . 0.0 113.135 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.48 -42.46 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.499 1.045 . . . . 0.0 109.483 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -88.21 -17.94 29.75 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.0 26.38 41.31 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.707 1.146 . . . . 0.0 113.722 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.91 147.32 45.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.888 1.275 . . . . 0.0 111.741 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -105.6 8.93 33.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.749 1.62 . . . . 0.0 113.649 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.3 125.51 23.11 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.844 1.258 . . . . 0.0 112.898 -172.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.81 169.5 18.19 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.182 1.393 . . . . 0.0 112.308 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.42 -37.82 57.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.185 0.994 . . . . 0.0 112.905 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.58 63.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 113.589 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.36 -40.08 11.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.219 1.008 . . . . 0.0 110.862 168.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.92 -47.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.356 1.062 . . . . 0.0 111.322 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.85 -30.17 68.78 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -72.74 -30.36 64.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.979 -1.076 . . . . 0.0 113.14 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.13 -38.89 30.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.83 1.196 . . . . 0.0 111.623 170.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.23 -36.95 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.569 0.748 . . . . 0.0 111.013 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -54.46 -45.39 73.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.125 0.97 . . . . 0.0 111.59 171.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.92 -40.9 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.933 0.788 . . . . 0.0 111.343 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.56 -22.4 65.14 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.812 1.245 . . . . 0.0 114.243 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.11 -42.47 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.658 1.183 . . . . 0.0 111.187 173.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -73.03 -43.8 61.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.659 1.184 . . . . 0.0 113.164 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.24 -20.09 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.346 1.458 . . . . 0.0 113.615 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.98 -0.34 66.83 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.244 1.402 . . . . 0.0 114.781 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -82.21 144.54 30.61 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.101 1.36 . . . . 0.0 110.429 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -73.26 161.62 30.31 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -40.41 61.65 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.836 2.054 . . . . 0.0 115.48 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -37.61 81.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.824 0.849 . . . . 0.0 111.161 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.58 -13.64 71.54 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.816 1.198 . . . . 0.0 113.717 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 mmt -92.91 -54.55 3.7 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.318 1.047 . . . . 0.0 110.698 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.41 -39.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.273 1.029 . . . . 0.0 112.07 -171.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -42.09 54.17 Favored Glycine 0 N--CA 1.472 1.05 0 O-C-N 121.465 -0.772 . . . . 0.0 113.338 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.33 -25.6 59.65 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.789 0.836 . . . . 0.0 112.732 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.51 -35.31 80.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.402 -0.811 . . . . 0.0 112.229 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.1 mt -63.62 -45.2 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.286 1.034 . . . . 0.0 110.18 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.44 96.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.012 0.925 . . . . 0.0 111.918 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.7 -48.05 82.52 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.355 0.662 . . . . 0.0 111.942 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.25 -41.8 93.98 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.447 1.099 . . . . 0.0 112.394 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -73.95 -56.17 5.28 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.47 1.508 . . . . 0.0 112.037 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -71.57 -28.28 63.73 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 p -93.78 -9.62 36.89 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.76 0.824 . . . . 0.0 113.104 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.9 t60 72.96 47.5 0.2 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.985 2.114 . . . . 0.0 112.775 168.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.08 -39.28 65.98 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.837 -1.165 . . . . 0.0 113.004 -173.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t 62.71 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 127.502 2.321 . . . . 0.0 110.206 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.45 177.0 35.79 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.848 1.213 . . . . 0.0 113.867 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 mt -132.81 149.48 52.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.91 1.684 . . . . 0.0 111.345 -172.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.0 p -146.04 168.66 20.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.737 2.015 . . . . 0.0 110.094 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -61.71 -28.14 69.21 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -73.41 -37.92 65.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.636 1.174 . . . . 0.0 111.505 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.73 -40.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.13 -0.981 . . . . 0.0 110.452 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.72 -29.36 66.73 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.079 -1.013 . . . . 0.0 113.183 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -66.34 -29.93 70.22 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 118.955 0.798 . . . . 0.0 111.95 167.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 m -80.16 -29.76 38.82 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.764 -1.21 . . . . 0.0 112.869 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.12 -32.66 71.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.38 -34.73 77.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.202 -0.936 . . . . 0.0 112.171 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -79.74 -21.44 44.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.213 1.005 . . . . 0.0 112.846 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -77.36 -45.72 25.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.984 1.314 . . . . 0.0 112.16 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -129.6 -47.25 1.17 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -172.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.49 -41.8 83.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.324 0.965 . . . . 0.0 111.552 -171.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -68.2 -32.05 72.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -88.34 -62.11 1.56 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -94.13 -25.57 17.08 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -158.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.44 123.06 23.99 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.849 0.75 . . . . 0.0 110.774 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.9 p -69.17 -17.99 63.88 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -83.62 -19.43 35.48 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.976 1.31 . . . . 0.0 113.589 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.53 -34.59 17.34 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.622 1.169 . . . . 0.0 113.447 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 124.747 1.219 . . . . 0.0 113.752 178.587 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.306 1.1 tmt? . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 117.513 -1.232 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 m -143.14 140.29 30.76 Favored 'General case' 0 N--CA 1.48 1.03 1 C-N-CA 133.139 4.575 . . . . 0.0 110.388 -0.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.1 59.39 3.84 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.83 1.252 . . . . 0.0 111.126 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 m -58.54 127.05 30.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.497 1.119 . . . . 0.0 113.374 -170.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.5 66.53 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.03 1.332 . . . . 0.0 114.578 -169.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -60.65 -27.84 68.11 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 112.832 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.69 -39.97 69.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.533 0.733 . . . . 0.0 111.12 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tt -77.9 -47.21 19.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.274 1.03 . . . . 0.0 110.298 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.65 -38.62 67.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.371 1.469 . . . . 0.0 113.676 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.21 -30.72 67.89 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.628 0.771 . . . . 0.0 112.801 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -72.73 -33.09 66.18 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.83 0.741 . . . . 0.0 112.601 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.2 mt -51.23 -49.2 61.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.081 1.352 . . . . 0.0 112.222 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.45 -22.47 64.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.797 0.839 . . . . 0.0 113.156 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.1 mt -66.85 -37.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 O-C-N 121.336 -0.852 . . . . 0.0 110.159 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.33 -3.51 57.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.345 1.458 . . . . 0.0 113.401 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.6 11.35 81.96 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.594 1.093 . . . . 0.0 114.58 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.34 162.9 25.28 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.763 1.225 . . . . 0.0 110.459 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -157.43 140.64 15.39 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.742 1.217 . . . . 0.0 111.179 171.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.4 m -143.28 151.26 40.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.363 1.865 . . . . 0.0 110.552 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -77.04 164.72 25.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.113 0.565 . . . . 0.0 111.136 163.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.7 -36.9 65.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.572 0.749 . . . . 0.0 112.171 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.23 65.84 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.95 -31.59 18.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.886 0.874 . . . . 0.0 111.836 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.44 -43.87 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.662 1.119 . . . . 0.0 110.221 169.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.34 -36.73 66.61 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.193 0.997 . . . . 0.0 112.083 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -63.59 -38.83 92.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.242 0.928 . . . . 0.0 112.2 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.19 -36.69 47.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.798 1.181 . . . . 0.0 111.596 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.107 0.867 . . . . 0.0 111.541 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.49 -43.42 84.1 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.655 -0.653 . . . . 0.0 111.302 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.37 -42.38 99.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.076 0.853 . . . . 0.0 111.34 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.13 -34.26 71.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.846 0.858 . . . . 0.0 112.474 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.71 -45.32 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.536 1.135 . . . . 0.0 111.648 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.84 -35.29 67.23 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.49 -18.85 18.77 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.755 1.222 . . . . 0.0 113.132 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 8.18 73.74 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.052 1.311 . . . . 0.0 114.532 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -94.94 153.47 17.65 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.746 1.618 . . . . 0.0 111.185 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.2 140.14 57.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.028 1.331 . . . . 0.0 112.732 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -61.1 -20.25 62.41 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.874 1.67 . . . . 0.0 114.601 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.78 -29.54 64.93 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.43 1.092 . . . . 0.0 112.218 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.25 -43.82 37.34 Favored Glycine 0 C--N 1.345 1.063 0 O-C-N 121.259 -0.901 . . . . 0.0 112.085 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -66.66 -39.69 88.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.209 1.404 . . . . 0.0 111.741 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.66 -40.65 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.512 1.125 . . . . 0.0 111.218 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.48 -49.65 6.58 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 124.401 1.0 . . . . 0.0 114.112 -170.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.53 -20.35 62.82 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.656 1.228 . . . . 0.0 112.751 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.31 -29.6 70.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 112.328 173.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.11 -48.78 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 0.0 110.11 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.07 86.62 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 111.607 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.12 -50.82 66.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.426 0.69 . . . . 0.0 111.312 174.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.4 m -63.71 -33.15 74.99 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.736 0.814 . . . . 0.0 112.845 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -68.24 -46.04 71.58 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 110.12 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -63.09 -42.94 99.71 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.309 1.044 . . . . 0.0 113.708 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.0 p -79.24 -17.02 55.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.062 0.945 . . . . 0.0 113.358 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . 0.291 9.2 p-80 61.23 10.29 2.94 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.929 2.892 . . . . 0.0 115.319 -176.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.49 126.19 28.86 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.421 -1.424 . . . . 0.0 110.876 170.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.84 -8.91 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 124.517 1.127 . . . . 0.0 113.742 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.83 158.82 14.46 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 125.562 1.553 . . . . 0.0 112.784 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.39 141.31 41.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.609 1.563 . . . . 0.0 111.083 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -143.56 161.27 38.91 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.622 1.969 . . . . 0.0 109.773 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.63 -31.24 62.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.989 0.915 . . . . 0.0 113.468 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.87 -35.79 79.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.946 0.898 . . . . 0.0 112.088 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.26 -41.75 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.036 0.934 . . . . 0.0 110.27 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.58 -25.54 63.11 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.946 0.794 . . . . 0.0 112.958 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -71.59 -46.42 59.35 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.07 0.85 . . . . 0.0 111.045 166.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.7 m -65.16 -28.16 69.22 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.923 -1.111 . . . . 0.0 112.973 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.22 -29.35 65.64 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.8 1.24 . . . . 0.0 113.608 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.17 -47.81 83.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.326 0.65 . . . . 0.0 110.878 171.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -72.98 -18.93 61.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.914 0.885 . . . . 0.0 112.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -82.81 -18.42 40.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.157 1.383 . . . . 0.0 113.585 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -154.87 -60.64 0.12 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.925 0.784 . . . . 0.0 113.014 -175.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.11 -40.65 94.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.678 0.672 . . . . 0.0 112.344 -168.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.6 m -78.2 -18.85 54.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -70.67 -51.02 30.5 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.212 -0.93 . . . . 0.0 111.634 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 173.31 132.98 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.743 2.817 . . . . 0.0 110.095 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 tp -72.41 152.19 42.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.431 1.092 . . . . 0.0 110.887 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 p -75.91 7.57 3.87 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.394 1.478 . . . . 0.0 114.105 174.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -147.8 153.97 39.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 128.044 2.538 . . . . 0.0 110.475 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.84 84.54 1.22 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.553 1.141 . . . . 0.0 111.508 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 . . . . . 0 C--O 1.255 1.352 0 C-N-CA 126.731 2.012 . . . . 0.0 113.375 178.559 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 tpp . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -79.27 82.48 5.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.86 0.864 . . . . 0.0 111.392 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.53 107.69 16.95 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.044 1.338 . . . . 0.0 111.362 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -113.99 147.31 38.83 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.977 1.311 . . . . 0.0 110.814 163.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -28.58 66.49 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.517 1.127 . . . . 0.0 113.6 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.14 -21.39 66.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.257 1.023 . . . . 0.0 113.649 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -82.76 -56.34 3.9 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.127 0.971 . . . . 0.0 109.764 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.46 -40.28 93.01 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.625 1.17 . . . . 0.0 111.873 -167.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -21.05 63.91 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.04 -33.76 72.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.368 -0.832 . . . . 0.0 111.58 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -77.51 -39.27 46.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.387 0.675 . . . . 0.0 111.622 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.33 -33.67 65.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.081 0.952 . . . . 0.0 112.795 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -73.62 -17.25 61.19 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.045 1.338 . . . . 0.0 113.455 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.8 mt -79.62 -44.95 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.388 0.994 . . . . 0.0 109.81 172.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.24 -10.89 51.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.025 1.33 . . . . 0.0 113.739 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 25.01 60.95 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.35 0.976 . . . . 0.0 113.299 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -77.02 107.0 9.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.55 1.14 . . . . 0.0 109.728 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.99 43.51 0.7 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.495 1.918 . . . . 0.0 113.624 -167.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.38 131.08 40.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.853 -1.154 . . . . 0.0 111.812 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.45 170.24 16.51 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.05 0.54 . . . . 0.0 111.153 160.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -49.29 -40.4 34.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.637 1.175 . . . . 0.0 113.862 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.29 64.14 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.23 -34.89 18.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.245 1.018 . . . . 0.0 111.7 172.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.52 -45.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.894 1.224 . . . . 0.0 110.666 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -57.25 -25.7 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -67.87 -42.76 80.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 120.097 1.317 . . . . 0.0 112.711 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.25 -36.59 77.29 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.258 0.936 . . . . 0.0 111.0 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.24 -42.27 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.005 0.522 . . . . 0.0 111.381 171.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.51 -47.34 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.918 0.887 . . . . 0.0 111.565 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.74 -43.41 69.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.16 0.891 . . . . 0.0 111.319 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.66 -25.57 68.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.8 t -87.71 -40.97 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.566 1.146 . . . . 0.0 111.037 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -74.72 -47.45 31.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.782 1.233 . . . . 0.0 112.136 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -93.67 -22.92 18.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.32 1.448 . . . . 0.0 113.229 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.97 70.64 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.275 1.417 . . . . 0.0 114.933 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -75.0 147.2 40.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.415 1.086 . . . . 0.0 110.571 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.76 149.2 49.29 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -48.33 -33.4 8.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.509 1.924 . . . . 0.0 115.209 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.71 -34.64 76.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.253 1.021 . . . . 0.0 112.092 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.69 -41.46 50.29 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 123.712 0.672 . . . . 0.0 111.936 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -62.7 -50.98 68.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.784 0.834 . . . . 0.0 111.232 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.08 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.388 0.675 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.11 35.48 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 118.54 0.609 . . . . 0.0 113.657 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -76.08 -23.62 55.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.259 1.03 . . . . 0.0 113.295 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.99 -34.18 77.81 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.671 0.789 . . . . 0.0 112.13 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.07 -45.35 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.027 0.931 . . . . 0.0 110.708 178.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.59 96.37 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.53 0.732 . . . . 0.0 111.843 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -67.47 -44.5 78.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.045 0.538 . . . . 0.0 112.382 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.02 -38.3 85.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.042 0.837 . . . . 0.0 112.436 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -65.85 -48.27 72.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.988 1.315 . . . . 0.0 111.001 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -72.26 -35.98 68.91 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -78.86 -26.78 44.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.434 0.694 . . . . 0.0 111.911 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 75.62 12.79 3.04 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.418 2.287 . . . . 0.0 114.45 162.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.47 151.56 45.91 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.039 -1.663 . . . . 0.0 112.654 173.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 71.5 t -81.81 123.19 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.119 0.967 . . . . 0.0 108.804 172.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.7 -162.62 53.68 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.405 1.002 . . . . 0.0 113.095 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.28 158.19 38.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.961 1.304 . . . . 0.0 111.961 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.4 p -137.93 164.85 27.98 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.487 1.915 . . . . 0.0 110.82 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -57.49 -28.54 63.5 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -73.94 -40.14 63.27 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.455 1.102 . . . . 0.0 111.95 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.01 -46.47 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.793 0.724 . . . . 0.0 110.37 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.56 -31.65 71.87 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.02 -46.62 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.039 0.836 . . . . 0.0 111.322 170.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.2 m -66.67 -30.79 71.14 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.342 -0.849 . . . . 0.0 113.115 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.6 -31.5 66.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.311 1.044 . . . . 0.0 113.578 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -57.07 -41.74 79.34 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.584 0.754 . . . . 0.0 111.524 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -85.29 -11.73 54.06 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.402 1.081 . . . . 0.0 112.717 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -95.09 -18.41 21.01 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.112 1.365 . . . . 0.0 113.666 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -147.72 -50.0 0.18 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.06 -66.33 0.56 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -73.01 -16.0 61.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.768 0.827 . . . . 0.0 112.769 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -63.73 -56.35 16.33 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.38 172.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -77.56 -39.85 44.42 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.381 1.472 . . . . 0.0 112.901 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 tp -85.55 108.02 17.75 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.625 0.77 . . . . 0.0 111.112 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 p -72.58 -18.43 61.61 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.52 -26.47 64.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.944 1.298 . . . . 0.0 113.148 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.16 -18.71 45.35 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.19 1.396 . . . . 0.0 113.76 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.2 mtm105 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.582 1.553 . . . . 0.0 112.89 178.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -84.69 50.91 2.0 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.768 1.227 . . . . 0.0 112.496 -174.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.61 75.26 3.3 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.144 1.378 . . . . 0.0 111.629 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -61.19 136.08 57.95 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.996 -1.065 . . . . 0.0 112.276 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.2 -33.24 67.29 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -68.14 -30.87 70.1 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.218 1.007 . . . . 0.0 112.481 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.0 -36.24 59.26 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.302 -0.874 . . . . 0.0 110.939 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.17 -43.61 73.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 110.301 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -33.96 74.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.947 0.899 . . . . 0.0 113.308 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -64.77 -35.38 80.9 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.624 -0.673 . . . . 0.0 111.603 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.76 -37.04 70.55 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.141 -0.974 . . . . 0.0 111.945 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -53.36 -42.4 66.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.474 1.034 . . . . 0.0 111.136 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.27 -28.18 69.16 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.045 0.938 . . . . 0.0 112.793 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.6 -39.49 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.2 -0.938 . . . . 0.0 111.682 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -85.48 -7.91 58.65 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.56 15.17 78.67 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.771 1.177 . . . . 0.0 114.06 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -76.95 164.4 25.82 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.712 1.605 . . . . 0.0 111.613 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.01 131.41 12.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.602 1.561 . . . . 0.0 110.048 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -138.46 149.72 45.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.672 1.589 . . . . 0.0 110.812 -175.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -74.84 163.94 27.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.23 0.612 . . . . 0.0 111.142 165.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -51.45 -40.71 59.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.446 1.099 . . . . 0.0 111.996 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.2 66.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -90.86 -33.57 15.61 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.143 0.977 . . . . 0.0 111.772 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.3 -47.5 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 120.661 -1.275 . . . . 0.0 109.794 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -56.94 -34.77 68.34 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.305 1.042 . . . . 0.0 112.431 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.71 -44.26 96.67 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.939 1.245 . . . . 0.0 112.477 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.03 -35.18 59.6 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.249 0.931 . . . . 0.0 112.168 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.31 -41.51 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 118.838 0.744 . . . . 0.0 110.95 171.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.64 -38.01 77.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.638 0.775 . . . . 0.0 111.842 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.19 -45.8 90.04 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.559 1.072 . . . . 0.0 110.583 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.07 -39.67 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.434 0.694 . . . . 0.0 111.791 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.02 -42.05 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.356 1.462 . . . . 0.0 112.026 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.37 -51.46 13.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.079 0.952 . . . . 0.0 112.49 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -85.57 -20.28 29.81 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.47 1.108 . . . . 0.0 113.559 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 27.56 73.6 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 123.709 0.671 . . . . 0.0 112.905 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -105.97 146.4 30.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.154 1.782 . . . . 0.0 108.685 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -68.02 158.51 32.73 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.207 1.003 . . . . 0.0 113.663 -173.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.74 -32.64 73.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.128 1.771 . . . . 0.0 113.369 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.21 -29.51 70.33 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.349 -0.844 . . . . 0.0 112.634 172.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 -15.71 81.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.833 1.206 . . . . 0.0 112.895 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 mmt -87.6 -63.77 1.25 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.235 1.018 . . . . 0.0 110.255 165.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.05 -36.64 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.992 1.317 . . . . 0.0 112.882 -166.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.81 -39.9 19.3 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 118.6 0.636 . . . . 0.0 113.036 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -75.21 -26.75 59.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.54 0.736 . . . . 0.0 112.165 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.78 -31.06 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.336 1.055 . . . . 0.0 112.711 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.47 -45.92 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.098 0.959 . . . . 0.0 110.988 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.32 93.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.484 0.714 . . . . 0.0 111.803 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.49 -49.12 72.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.897 0.879 . . . . 0.0 112.04 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.1 -36.1 80.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -69.38 -48.85 59.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.666 1.186 . . . . 0.0 110.998 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.5 p -69.57 -33.17 72.35 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -81.77 -24.56 35.93 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.256 1.022 . . . . 0.0 112.919 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 79.63 24.62 0.44 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.117 2.567 . . . . 0.0 112.413 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.21 148.18 45.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.476 1.11 . . . . 0.0 112.638 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.43 123.73 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.489 1.516 . . . . 0.0 108.289 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 174.05 43.46 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.1 0.857 . . . . 0.0 113.481 -174.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 mp -134.65 158.34 44.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.569 1.547 . . . . 0.0 110.298 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -173.64 171.78 3.76 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.794 2.838 . . . . 0.0 108.071 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.2 p -54.76 -31.16 58.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.69 -31.06 72.11 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.304 1.042 . . . . 0.0 113.132 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.9 -49.45 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.054 0.941 . . . . 0.0 108.863 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.19 -30.85 68.07 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.73 -32.07 71.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.558 0.743 . . . . 0.0 112.212 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 m -74.12 -34.67 63.98 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.068 -1.02 . . . . 0.0 111.903 172.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -62.08 -31.32 71.74 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.874 -1.141 . . . . 0.0 113.604 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.57 -49.14 77.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.599 0.76 . . . . 0.0 111.266 169.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.5 -23.48 60.04 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.691 1.196 . . . . 0.0 112.903 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -74.71 -24.99 58.84 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.776 1.63 . . . . 0.0 113.286 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -152.68 -50.77 0.1 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -169.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.68 -44.54 49.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.819 0.736 . . . . 0.0 112.099 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -72.48 -38.73 68.11 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -98.88 -6.31 29.24 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 -169.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -151.58 -39.06 0.12 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.6 tp 67.84 -45.67 0.5 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 127.601 2.36 . . . . 0.0 114.532 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m 83.05 5.95 0.84 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.528 2.731 . . . . 0.0 114.262 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -87.24 -160.47 0.6 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.613 1.165 . . . . 0.0 111.56 168.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.79 -13.32 61.66 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.044 0 C-N-CA 125.701 1.6 . . . . 0.0 110.405 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 tpp . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -78.11 164.95 24.54 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -172.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.82 -18.61 63.46 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 t 79.2 124.51 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 128.247 2.619 . . . . 0.0 114.081 170.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.18 83.52 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.861 0.865 . . . . 0.0 112.378 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.62 -32.45 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.934 0.894 . . . . 0.0 111.489 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -72.44 -44.74 61.97 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.053 0.541 . . . . 0.0 110.709 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.09 -39.87 95.0 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.717 0.69 . . . . 0.0 112.141 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.6 -22.45 63.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -66.6 -26.48 67.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.552 0.741 . . . . 0.0 112.601 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.9 -39.86 17.71 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.954 0.902 . . . . 0.0 112.535 172.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.9 -43.03 63.18 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.5 1.046 . . . . 0.0 112.674 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.85 -18.84 65.57 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.056 1.343 . . . . 0.0 114.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.98 -40.65 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.254 -0.904 . . . . 0.0 110.23 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.04 -6.48 59.32 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 113.4 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.55 74.11 Favored Glycine 0 N--CA 1.476 1.302 0 C-N-CA 124.582 1.087 . . . . 0.0 113.573 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.86 133.53 40.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.845 1.258 . . . . 0.0 110.553 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -114.41 121.76 44.55 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.147 1.379 . . . . 0.0 110.475 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -143.26 164.16 30.98 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.58 1.552 . . . . 0.0 111.542 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -108.64 168.95 8.97 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.304 1.442 . . . . 0.0 110.766 165.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -51.84 -39.92 59.67 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.504 1.122 . . . . 0.0 112.628 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.3 68.46 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.77 -35.56 22.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.442 0.697 . . . . 0.0 111.114 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.07 -43.46 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.454 1.101 . . . . 0.0 111.607 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.7 -37.43 65.81 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.382 0.673 . . . . 0.0 111.775 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -60.94 -30.51 70.27 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.19 -0.944 . . . . 0.0 113.404 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.99 -39.71 19.35 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.575 1.079 . . . . 0.0 111.842 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -58.4 -38.4 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 118.81 0.732 . . . . 0.0 110.953 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -56.92 -42.34 79.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.048 0.939 . . . . 0.0 112.29 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.73 -46.37 82.55 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.628 1.104 . . . . 0.0 110.776 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.6 m -56.28 -39.3 72.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.425 0.69 . . . . 0.0 112.026 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -79.86 -43.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.028 1.331 . . . . 0.0 111.914 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -69.9 -43.07 72.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.171 0.989 . . . . 0.0 111.827 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -89.83 -17.18 28.62 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.56 1.144 . . . . 0.0 113.014 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.17 53.38 9.18 Favored Glycine 0 C--N 1.343 0.961 0 C-N-CA 124.077 0.846 . . . . 0.0 111.234 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -142.76 150.75 40.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.502 1.121 . . . . 0.0 111.044 -161.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.02 138.34 42.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.137 0.975 . . . . 0.0 112.52 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -62.31 -20.23 64.12 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.104 1.761 . . . . 0.0 115.63 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.0 -32.58 71.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.289 0.949 . . . . 0.0 112.428 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.19 -44.57 43.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 121.642 -0.661 . . . . 0.0 111.859 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -62.66 -45.08 94.47 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 111.587 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.77 -42.73 47.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 118.559 0.618 . . . . 0.0 111.768 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.17 -48.12 54.89 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.687 0.676 . . . . 0.0 113.844 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.56 -21.07 59.7 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.08 -32.85 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.096 0.958 . . . . 0.0 112.218 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.5 -47.72 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.491 1.117 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.85 84.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.667 0.387 . . . . 0.0 111.615 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -64.33 -52.04 60.41 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.271 1.028 . . . . 0.0 112.052 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.0 p -72.37 -29.51 63.85 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -74.27 -46.47 41.2 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.381 174.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -67.38 -25.24 65.86 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -173.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -82.24 -19.57 39.39 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.534 1.134 . . . . 0.0 112.862 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 74.95 4.92 4.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.191 2.596 . . . . 0.0 113.896 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 135.82 54.75 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.525 -1.359 . . . . 0.0 110.982 174.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -76.61 138.81 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.773 0.829 . . . . 0.0 111.314 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.33 -162.17 53.25 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.666 0.65 . . . . 0.0 114.241 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 mt -136.97 142.52 42.6 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.722 1.609 . . . . 0.0 110.456 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.3 p -142.67 157.4 44.72 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.872 2.069 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -54.11 -30.41 48.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -170.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.13 -37.58 87.9 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 112.429 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.41 -45.56 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.205 1.002 . . . . 0.0 109.953 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.68 -30.47 70.73 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.764 -0.585 . . . . 0.0 112.572 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -72.41 -42.24 65.35 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.675 0.671 . . . . 0.0 112.185 172.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.6 m -64.06 -33.45 75.79 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.443 -0.786 . . . . 0.0 112.424 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -54.58 -27.26 37.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.77 -34.05 71.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.573 0.749 . . . . 0.0 112.452 174.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -80.15 -29.05 38.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.959 0.903 . . . . 0.0 112.642 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -78.66 -17.64 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -149.11 -48.14 0.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.5 -44.79 56.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -168.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.4 p -66.13 -23.5 66.5 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -74.96 -39.42 61.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.849 1.26 . . . . 0.0 111.65 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -83.35 -37.58 23.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.87 1.268 . . . . 0.0 113.67 -167.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.7 tp -68.48 119.67 13.32 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.942 0.792 . . . . 0.0 111.337 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -88.79 -13.68 38.85 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -83.46 133.11 34.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.881 1.272 . . . . 0.0 111.931 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.44 48.3 1.49 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.777 1.631 . . . . 0.0 111.818 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 126.094 1.758 . . . . 0.0 113.023 -174.313 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -84.22 146.6 27.72 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -172.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.42 56.6 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 t 82.59 146.65 0.08 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 128.632 2.773 . . . . 0.0 113.141 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.67 66.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.43 1.092 . . . . 0.0 112.035 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.39 -25.98 67.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.668 1.187 . . . . 0.0 112.749 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -90.97 -41.22 11.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.915 0.886 . . . . 0.0 111.358 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.83 -43.02 80.53 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.683 0.793 . . . . 0.0 112.397 -176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -25.84 67.65 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.67 -30.58 70.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.12 0.968 . . . . 0.0 112.806 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -72.21 -27.79 62.76 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.52 -35.59 70.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.851 1.26 . . . . 0.0 112.809 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -67.81 -23.01 65.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.446 1.099 . . . . 0.0 113.071 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.83 -39.3 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.05 0.94 . . . . 0.0 110.138 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -89.33 -9.87 48.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.505 1.522 . . . . 0.0 113.593 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 18.57 71.93 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.369 0.985 . . . . 0.0 113.952 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.5 163.38 22.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.956 1.703 . . . . 0.0 111.96 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -156.87 136.53 12.36 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.574 1.549 . . . . 0.0 110.716 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -154.99 156.36 35.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.629 1.972 . . . . 0.0 110.811 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -80.86 163.32 23.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 164.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.85 -39.48 62.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.969 0.908 . . . . 0.0 112.399 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.36 67.77 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -88.52 -35.08 17.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 0.0 111.758 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -61.25 -42.1 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.234 1.014 . . . . 0.0 110.692 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.88 -30.25 61.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.871 0.869 . . . . 0.0 113.308 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.67 -52.46 65.36 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.358 1.436 . . . . 0.0 111.156 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.07 -31.45 72.67 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.662 0.664 . . . . 0.0 111.356 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.68 -41.56 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.56 171.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -57.49 -46.29 83.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.778 1.172 . . . . 0.0 111.126 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.19 -49.7 68.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.664 0.666 . . . . 0.0 112.407 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 p -63.63 -30.14 71.29 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.259 0.936 . . . . 0.0 113.145 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.28 -42.1 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.666 1.186 . . . . 0.0 111.621 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.5 -50.28 18.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.578 0.751 . . . . 0.0 112.386 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.51 -16.48 42.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.54 1.136 . . . . 0.0 113.448 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.59 3.75 83.69 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.846 1.212 . . . . 0.0 114.236 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -74.08 133.26 42.87 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 109.611 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.01 139.29 56.32 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.627 -0.67 . . . . 0.0 110.979 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -24.66 63.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -153.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -64.62 -27.23 68.8 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.542 1.064 . . . . 0.0 112.271 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.45 -36.52 38.55 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.435 1.016 . . . . 0.0 111.467 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.8 tpp -66.34 -45.23 80.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.412 1.106 . . . . 0.0 111.139 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.31 -39.26 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.805 1.242 . . . . 0.0 111.508 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.24 -40.09 50.5 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.139 0.876 . . . . 0.0 113.684 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.91 -32.2 73.8 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.679 1.24 . . . . 0.0 112.425 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.42 -31.71 70.66 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.728 1.211 . . . . 0.0 113.264 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.83 -42.61 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.495 1.118 . . . . 0.0 111.368 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.26 82.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.886 0.874 . . . . 0.0 112.199 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.53 -50.65 66.52 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.803 0.841 . . . . 0.0 111.151 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.71 -35.23 79.07 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.656 0.782 . . . . 0.0 113.071 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.5 m -65.65 -42.48 91.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.224 1.01 . . . . 0.0 110.949 174.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -68.34 -36.33 79.09 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -82.8 -27.18 31.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.115 0.87 . . . . 0.0 112.873 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 80.38 -1.93 1.94 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.55 2.74 . . . . 0.0 112.954 174.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -70.98 142.59 50.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.06 -1.65 . . . . 0.0 111.725 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.5 t -90.06 137.52 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.194 1.397 . . . . 0.0 110.373 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.37 -172.58 53.84 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.293 0.949 . . . . 0.0 114.046 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 mt -135.17 153.52 51.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.197 1.799 . . . . 0.0 110.979 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -170.8 161.31 7.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.746 2.018 . . . . 0.0 109.756 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -58.41 -28.07 64.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.591 1.157 . . . . 0.0 113.66 -171.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.62 -36.25 80.47 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.943 0.897 . . . . 0.0 111.889 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.7 mt -78.32 -41.18 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.425 1.09 . . . . 0.0 109.935 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.52 -35.58 81.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -69.52 -44.97 69.92 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.485 0.584 . . . . 0.0 112.25 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 p -72.62 -25.52 61.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.158 -0.963 . . . . 0.0 113.449 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -60.82 -35.39 76.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.166 -0.959 . . . . 0.0 113.345 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.37 -37.11 77.07 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.614 -0.679 . . . . 0.0 112.107 170.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -88.78 -19.27 26.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -171.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -17.29 51.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -158.69 -46.39 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.2 -48.04 74.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.612 1.096 . . . . 0.0 112.195 -170.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -68.47 -17.35 64.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.45 1.1 . . . . 0.0 113.227 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -75.1 -4.67 39.94 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 120.809 -1.182 . . . . 0.0 113.05 172.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 89.24 138.73 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 131.359 3.864 . . . . 0.0 110.059 -175.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.8 tp -77.04 83.37 3.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.295 1.438 . . . . 0.0 110.736 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.2 p -64.58 -15.35 60.93 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -74.85 -15.08 60.74 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.528 1.531 . . . . 0.0 112.993 172.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.99 -29.93 5.15 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.785 1.634 . . . . 0.0 114.05 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.536 1.534 . . . . 0.0 112.988 -179.41 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.1 mtp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -163.77 172.96 13.41 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.919 1.288 . . . . 0.0 111.373 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.96 -20.99 60.94 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.516 1.126 . . . . 0.0 114.024 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.0 t 82.76 121.79 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 128.939 2.896 . . . . 0.0 112.104 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.68 96.98 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.961 0.904 . . . . 0.0 111.81 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.21 -38.72 92.04 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.84 0.856 . . . . 0.0 111.608 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.574 0.749 . . . . 0.0 111.884 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.4 -42.44 92.57 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.575 0.75 . . . . 0.0 111.133 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.37 -26.59 66.55 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.51 -42.22 95.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.966 0.803 . . . . 0.0 110.748 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.21 -37.07 80.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.425 -0.798 . . . . 0.0 112.73 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.52 -50.75 62.22 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.581 1.082 . . . . 0.0 110.866 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -69.56 -24.5 63.72 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.049 0.94 . . . . 0.0 113.338 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.1 -38.44 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 119.88 1.218 . . . . 0.0 111.419 171.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -87.21 -2.52 58.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.603 1.161 . . . . 0.0 113.62 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 11.08 67.35 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.634 1.588 . . . . 0.0 114.916 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp -79.08 152.56 30.77 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 109.987 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -148.44 134.92 19.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.956 1.303 . . . . 0.0 111.061 -175.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 m -148.48 161.76 40.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.735 1.614 . . . . 0.0 112.49 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -88.38 162.92 16.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.33 1.052 . . . . 0.0 110.887 159.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.42 -35.47 60.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.612 1.165 . . . . 0.0 112.759 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.18 -24.52 64.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.238 1.015 . . . . 0.0 113.368 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -87.8 -34.05 18.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.609 0.764 . . . . 0.0 111.99 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.88 -45.0 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.064 0.946 . . . . 0.0 111.297 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.69 -26.89 67.45 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.9 -41.65 92.1 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.047 -1.033 . . . . 0.0 111.883 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -35.33 66.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.277 0.631 . . . . 0.0 111.939 176.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.76 -42.77 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.354 0.525 . . . . 0.0 110.485 172.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.95 -32.76 73.22 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.825 0.739 . . . . 0.0 112.891 173.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.21 -48.85 71.93 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.433 1.47 . . . . 0.0 110.4 171.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.19 -40.68 67.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 111.859 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.71 -43.24 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 111.901 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.61 -42.99 63.89 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.164 0.893 . . . . 0.0 112.475 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -85.23 -15.34 43.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.201 1.0 . . . . 0.0 113.326 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 46.73 40.54 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.478 1.037 . . . . 0.0 111.309 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -134.22 157.55 45.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.196 1.398 . . . . 0.0 111.174 -164.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -67.62 149.25 50.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.576 1.55 . . . . 0.0 111.807 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -31.27 72.38 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.367 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.34 -21.38 66.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.38 1.072 . . . . 0.0 113.113 175.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.68 -50.56 5.23 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.251 0.929 . . . . 0.0 111.28 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -36.38 83.93 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.778 1.231 . . . . 0.0 112.061 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.67 -45.76 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.735 0.814 . . . . 0.0 110.935 170.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.56 97.41 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.001 0.819 . . . . 0.0 114.086 -171.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -72.84 -25.88 61.27 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.241 1.021 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.56 -30.68 68.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.89 -48.36 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 118.65 0.659 . . . . 0.0 110.407 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.58 88.98 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.585 0.754 . . . . 0.0 111.866 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -65.29 -46.23 81.26 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.029 0.532 . . . . 0.0 111.47 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.1 m -62.17 -41.58 98.45 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.443 -0.786 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -66.47 -49.39 66.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.579 1.152 . . . . 0.0 111.339 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -69.57 -30.17 67.88 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.4 p -82.88 -22.89 33.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.681 0.793 . . . . 0.0 112.728 172.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 79.56 -0.66 2.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 128.207 2.603 . . . . 0.0 113.135 173.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -72.36 117.98 14.68 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.268 -1.52 . . . . 0.0 111.241 175.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.11 143.76 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.821 0.848 . . . . 0.0 110.355 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 -173.36 55.05 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.766 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -144.06 160.38 40.98 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.9 1.68 . . . . 0.0 111.919 -172.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -173.12 156.39 3.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.684 2.394 . . . . 0.0 109.137 -172.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.57 -31.07 61.87 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -165.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.14 -34.03 77.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.245 1.018 . . . . 0.0 112.291 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.04 -45.04 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.696 0.798 . . . . 0.0 109.625 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.4 -30.01 68.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.072 0.851 . . . . 0.0 113.041 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -65.64 -47.65 74.85 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.432 0.693 . . . . 0.0 111.373 168.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.4 m -64.7 -34.14 77.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.136 -0.978 . . . . 0.0 113.074 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.03 -31.96 67.5 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.139 1.375 . . . . 0.0 113.564 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -40.79 94.22 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.757 0.708 . . . . 0.0 111.795 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -80.61 -21.52 41.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.002 0.921 . . . . 0.0 113.072 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -72.51 -27.44 62.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.579 1.152 . . . . 0.0 112.854 -177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -156.02 -44.27 0.08 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.42 -37.72 85.85 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.192 0.906 . . . . 0.0 113.268 -167.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.8 p -73.16 -18.98 61.21 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.94 -34.7 62.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.341 1.056 . . . . 0.0 113.248 -174.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 175.92 135.32 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.53 2.332 . . . . 0.0 111.477 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 tp -93.51 102.64 14.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.972 1.309 . . . . 0.0 108.104 162.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 p -68.78 -9.97 53.97 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -177.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -74.32 -25.82 59.79 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.609 1.164 . . . . 0.0 112.42 168.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.32 -34.3 6.85 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.596 1.558 . . . . 0.0 113.664 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.191 1.797 . . . . 0.0 112.091 -176.165 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -85.45 28.08 0.78 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -171.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.87 53.56 1.69 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.093 2.157 . . . . 0.0 112.824 -173.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m -61.41 148.8 40.44 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.667 1.187 . . . . 0.0 113.512 -174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.68 67.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -174.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.11 -24.49 65.03 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.977 0.911 . . . . 0.0 112.839 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -84.17 -43.76 14.64 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.472 -0.768 . . . . 0.0 110.457 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.94 -45.46 81.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.554 0.742 . . . . 0.0 111.373 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -26.25 68.35 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.15 -35.45 78.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.166 0.586 . . . . 0.0 111.309 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -72.59 -35.47 67.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.478 0.711 . . . . 0.0 112.592 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -52.26 -41.77 63.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.835 0.854 . . . . 0.0 111.965 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.83 -16.27 61.6 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -75.34 -41.01 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.256 0.935 . . . . 0.0 110.882 174.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -84.19 -14.76 49.23 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.811 1.245 . . . . 0.0 113.606 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.94 58.41 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.689 1.137 . . . . 0.0 113.704 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.14 143.34 48.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.807 1.243 . . . . 0.0 110.119 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -125.56 121.95 35.12 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.275 1.43 . . . . 0.0 110.439 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 m -144.11 141.82 30.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.642 1.577 . . . . 0.0 110.603 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.67 167.43 21.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.664 0.785 . . . . 0.0 110.792 164.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -53.99 -37.48 64.05 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.771 -0.581 . . . . 0.0 112.554 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -25.11 65.24 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -89.46 -32.13 17.37 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.186 0.994 . . . . 0.0 111.871 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.04 -46.98 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.049 1.295 . . . . 0.0 109.705 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.37 -32.64 68.76 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.606 0.762 . . . . 0.0 112.362 171.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -65.25 -36.49 84.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 120.038 1.29 . . . . 0.0 113.045 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.79 -38.23 47.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.873 1.215 . . . . 0.0 111.884 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.25 -38.72 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.933 0.788 . . . . 0.0 111.232 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.92 -48.85 66.97 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.761 1.225 . . . . 0.0 111.272 172.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.02 -44.01 94.89 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.766 0.712 . . . . 0.0 111.421 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.3 m -60.83 -28.71 69.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.138 0.975 . . . . 0.0 113.17 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -88.93 -39.21 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.134 1.373 . . . . 0.0 111.579 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.77 -50.84 18.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.726 1.21 . . . . 0.0 112.199 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -90.78 -21.48 21.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.839 1.656 . . . . 0.0 113.603 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.5 12.06 82.46 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.686 1.136 . . . . 0.0 115.055 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -91.15 2.21 56.51 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.48 1.14 . . . . 0.0 113.549 -169.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 72.75 163.84 0.28 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.44 2.296 . . . . 0.0 114.69 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.207 1.803 . . . . 0.0 113.499 -174.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.85 -31.03 71.37 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.847 0.748 . . . . 0.0 112.15 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.61 -12.91 74.31 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.704 1.145 . . . . 0.0 113.562 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 mmt -97.44 -59.45 1.78 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.7 1.25 . . . . 0.0 111.121 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.99 -38.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.197 1.399 . . . . 0.0 112.181 -166.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -25.7 60.44 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 118.458 0.572 . . . . 0.0 113.571 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.67 -27.91 22.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.465 1.106 . . . . 0.0 112.329 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.85 -28.93 67.93 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.98 1.312 . . . . 0.0 112.48 172.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.78 -40.54 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.028 0.931 . . . . 0.0 111.644 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.01 93.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.277 0.631 . . . . 0.0 111.338 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.62 -46.83 71.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.96 0.504 . . . . 0.0 111.224 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.14 -39.02 81.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.006 0.923 . . . . 0.0 112.904 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.75 -42.23 74.16 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.015 1.326 . . . . 0.0 110.978 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.2 t -64.86 -44.84 88.42 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.113 0.965 . . . . 0.0 113.452 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 t -74.66 -26.87 60.15 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.261 0.624 . . . . 0.0 112.016 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 80.31 42.45 0.06 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.121 2.568 . . . . 0.0 112.073 164.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.43 165.0 15.52 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.395 1.478 . . . . 0.0 112.857 -172.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 m -120.45 144.57 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.879 1.672 . . . . 0.0 110.101 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.84 163.59 27.62 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.465 1.031 . . . . 0.0 112.557 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.1 164.7 26.44 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.919 1.288 . . . . 0.0 111.397 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 t -173.06 158.21 3.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.226 2.21 . . . . 0.0 109.051 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -53.53 -29.33 36.18 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.186 1.394 . . . . 0.0 113.874 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.1 -30.59 71.72 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.839 0.856 . . . . 0.0 112.659 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -84.18 -51.73 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.404 1.082 . . . . 0.0 110.095 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.16 -28.53 68.85 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.73 -41.1 72.3 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.289 0.95 . . . . 0.0 111.76 170.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.7 m -70.52 -28.2 64.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.654 0.782 . . . . 0.0 113.074 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.87 -29.66 67.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.331 1.052 . . . . 0.0 113.193 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.7 -44.8 85.05 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.776 -0.578 . . . . 0.0 111.466 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.54 -36.54 78.96 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.518 -0.739 . . . . 0.0 112.257 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -65.82 -28.6 69.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.483 1.513 . . . . 0.0 113.509 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -148.49 -59.76 0.24 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -170.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.62 -45.46 90.18 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.075 0.852 . . . . 0.0 112.658 -169.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.1 t -64.43 -32.3 73.87 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.28 1.032 . . . . 0.0 112.386 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -78.77 -27.43 44.62 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -120.17 -4.22 10.02 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -166.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.44 110.07 1.34 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.953 1.252 . . . . 0.0 111.549 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.9 m -69.25 -12.01 61.3 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -77.56 -25.04 49.75 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.254 1.022 . . . . 0.0 112.767 168.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.26 -33.85 10.57 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.532 1.533 . . . . 0.0 113.103 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 124.839 1.256 . . . . 0.0 112.772 175.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 tpp . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -73.09 142.35 47.55 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -173.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.66 89.53 3.95 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.001 0.921 . . . . 0.0 109.455 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -68.48 122.65 18.89 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 123.78 0.832 . . . . 0.0 112.79 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.28 71.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.731 0.813 . . . . 0.0 112.313 173.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -73.7 -37.93 65.01 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.765 0.826 . . . . 0.0 112.193 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -66.76 -39.42 87.87 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.057 0.389 . . . . 0.0 110.699 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.49 -52.88 61.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.991 0.916 . . . . 0.0 110.54 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.5 70.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.528 1.131 . . . . 0.0 113.369 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -63.57 -38.71 92.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.572 0.624 . . . . 0.0 112.074 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -65.73 -36.21 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.308 -0.87 . . . . 0.0 111.412 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.61 -30.24 68.55 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.255 -0.903 . . . . 0.0 112.831 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.52 -22.23 61.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.704 0.801 . . . . 0.0 113.127 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -77.81 -44.87 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.875 0.87 . . . . 0.0 110.496 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.02 -1.27 40.15 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.579 1.152 . . . . 0.0 113.866 -171.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.97 25.3 62.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.465 1.031 . . . . 0.0 114.336 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -79.97 102.33 9.17 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.065 1.346 . . . . 0.0 109.581 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.61 73.15 10.6 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.316 1.046 . . . . 0.0 111.711 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -85.24 159.41 20.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.84 1.656 . . . . 0.0 111.94 167.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.18 169.88 9.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.764 1.226 . . . . 0.0 110.743 159.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.27 -35.87 67.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.024 0.929 . . . . 0.0 112.577 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.05 68.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.7 -32.4 21.95 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.081 0.952 . . . . 0.0 111.856 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.9 -47.57 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.093 1.315 . . . . 0.0 110.311 168.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.28 -34.94 71.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.367 0.667 . . . . 0.0 112.02 171.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -64.94 -30.21 71.19 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.907 -1.121 . . . . 0.0 113.868 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.32 -36.43 26.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.299 1.408 . . . . 0.0 112.146 170.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.9 -37.38 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.496 1.044 . . . . 0.0 111.367 170.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.69 -45.32 77.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.98 0.912 . . . . 0.0 111.677 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.19 -41.93 96.88 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.953 0.797 . . . . 0.0 110.962 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.2 m -57.09 -41.96 79.87 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.096 0.958 . . . . 0.0 111.762 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.15 -40.48 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.081 1.352 . . . . 0.0 111.58 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.94 -47.11 63.64 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.416 1.087 . . . . 0.0 112.605 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -94.52 -9.1 36.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.067 1.347 . . . . 0.0 114.337 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 32.48 69.4 Favored Glycine 0 N--CA 1.476 1.327 0 CA-C-N 119.158 0.89 . . . . 0.0 112.823 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -124.28 154.75 39.78 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.509 1.924 . . . . 0.0 109.969 -171.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.82 157.72 35.9 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.425 1.107 . . . . 0.0 113.869 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -62.32 -38.43 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.515 1.926 . . . . 0.0 112.106 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.36 -29.44 70.51 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.803 0.841 . . . . 0.0 111.788 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.07 -34.86 61.34 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.677 1.132 . . . . 0.0 112.551 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.5 mmt -71.49 -55.34 8.07 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 117.683 0.742 . . . . 0.0 110.947 170.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.35 -37.26 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.508 0.723 . . . . 0.0 111.916 -175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.0 87.2 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.748 0.704 . . . . 0.0 114.101 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.15 -31.68 27.05 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.074 0.937 . . . . 0.0 111.836 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.18 -34.99 79.35 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.711 0.804 . . . . 0.0 112.647 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.14 -44.51 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.444 1.098 . . . . 0.0 111.414 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.475 0.58 . . . . 0.0 111.797 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -66.4 -49.68 66.0 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.055 0.542 . . . . 0.0 111.655 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.63 -32.49 72.63 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.37 -45.69 68.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 110.759 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -64.68 -42.4 95.38 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.017 0.927 . . . . 0.0 113.402 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.7 p -78.07 -25.19 47.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.148 0.979 . . . . 0.0 112.655 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 81.87 -2.85 1.56 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 129.415 3.086 . . . . 0.0 113.24 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -81.06 100.04 8.8 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.651 -1.281 . . . . 0.0 111.82 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.77 -14.5 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.406 1.082 . . . . 0.0 113.373 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.63 132.42 10.99 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.744 1.64 . . . . 0.0 110.854 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.4 161.41 14.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.283 1.033 . . . . 0.0 112.5 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.9 p -143.02 167.74 21.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.92 2.088 . . . . 0.0 109.748 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -60.3 -26.77 66.77 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -75.7 -40.66 55.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 111.595 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.47 -40.16 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.592 -0.693 . . . . 0.0 110.077 173.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.21 -38.09 75.21 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -58.47 -43.02 88.78 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.024 0.829 . . . . 0.0 111.593 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.8 m -67.71 -35.7 79.28 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 113.081 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.6 -34.5 77.96 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.687 1.13 . . . . 0.0 113.012 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.4 -42.13 91.03 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.475 -0.766 . . . . 0.0 111.366 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -71.89 -27.6 62.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -71.21 -24.25 62.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.12 1.368 . . . . 0.0 113.499 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -153.46 -36.05 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.66 -53.96 5.03 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 112.635 -168.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.7 p -77.83 -2.56 37.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.99 -9.03 13.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.647 1.179 . . . . 0.0 113.354 162.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 91.72 71.08 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 130.276 3.431 . . . . 0.0 110.439 174.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.52 125.72 24.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.951 1.3 . . . . 0.0 111.26 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 m -62.0 -15.51 44.59 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -172.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -70.99 -23.15 62.14 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.681 1.193 . . . . 0.0 113.135 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.66 -8.88 2.45 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.449 1.5 . . . . 0.0 112.159 177.777 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mmm . . . . . 0 N--CA 1.485 1.325 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 t -137.88 115.83 11.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.889 0.875 . . . . 0.0 111.339 170.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.65 93.1 7.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.212 1.005 . . . . 0.0 110.54 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.7 t -148.74 143.7 26.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.781 1.232 . . . . 0.0 110.843 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.3 94.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.997 0.919 . . . . 0.0 112.541 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.16 -41.5 73.74 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.991 0.516 . . . . 0.0 111.207 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -59.0 -41.03 86.69 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.384 1.073 . . . . 0.0 111.508 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -78.18 -39.48 40.62 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.062 0.545 . . . . 0.0 112.045 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -28.15 68.28 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -65.14 -20.34 66.41 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.524 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -92.63 -36.0 13.22 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.517 1.053 . . . . 0.0 112.585 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.87 -46.24 42.22 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.784 1.175 . . . . 0.0 111.698 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.18 -19.95 65.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.148 1.379 . . . . 0.0 113.68 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mm -76.91 -38.76 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.597 1.09 . . . . 0.0 111.272 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -83.08 -7.56 59.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.914 1.286 . . . . 0.0 112.995 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 13.2 73.51 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.678 1.132 . . . . 0.0 113.868 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.54 152.87 40.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.187 0.993 . . . . 0.0 110.825 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -152.38 121.46 6.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.714 1.606 . . . . 0.0 109.613 175.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.7 m -131.68 154.79 48.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.211 1.404 . . . . 0.0 112.048 -170.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.38 157.66 32.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.292 0.637 . . . . 0.0 111.184 165.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.24 -35.03 64.53 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.698 0.799 . . . . 0.0 112.388 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.21 68.6 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -86.92 -36.05 18.57 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.362 0.665 . . . . 0.0 111.832 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.11 -46.28 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 119.164 0.893 . . . . 0.0 110.583 173.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -53.86 -34.04 58.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.423 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -68.42 -35.53 77.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.79 -1.194 . . . . 0.0 113.005 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.39 -39.94 52.27 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.264 0.938 . . . . 0.0 111.038 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.81 -35.82 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.436 0.694 . . . . 0.0 112.014 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.51 -46.99 83.14 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.665 1.186 . . . . 0.0 111.399 172.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.92 -39.17 84.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.709 -0.62 . . . . 0.0 110.99 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.56 -15.44 58.03 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 174.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.48 -50.62 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.632 1.173 . . . . 0.0 111.024 168.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -72.9 -32.28 65.23 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -172.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -106.74 -21.36 13.06 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.511 1.524 . . . . 0.0 112.747 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 -8.81 24.73 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.601 1.572 . . . . 0.0 115.564 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.99 156.01 32.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.982 1.713 . . . . 0.0 112.401 -175.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -55.37 132.13 47.41 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.959 1.304 . . . . 0.0 112.608 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 2.8 mp0 -46.61 -37.69 8.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.499 2.319 . . . . 0.0 112.92 171.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -30.57 68.2 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.819 1.248 . . . . 0.0 113.081 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.92 -43.31 17.79 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.691 1.138 . . . . 0.0 111.841 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -40.42 92.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.834 0.854 . . . . 0.0 112.013 174.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -74.62 -45.11 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.074 0.95 . . . . 0.0 111.776 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -40.92 14.82 Favored Glycine 0 N--CA 1.471 0.984 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.495 -168.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.2 -22.99 61.95 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.931 1.366 . . . . 0.0 112.287 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.75 -28.99 69.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.446 1.099 . . . . 0.0 112.261 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.87 -43.68 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.375 1.07 . . . . 0.0 111.294 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.23 92.58 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.114 0.565 . . . . 0.0 111.735 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -67.36 -46.2 74.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.462 0.705 . . . . 0.0 111.797 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.83 -35.92 81.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.685 0.675 . . . . 0.0 112.618 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -66.57 -44.66 81.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.812 1.245 . . . . 0.0 110.201 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -42.0 98.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -76.98 -21.61 54.46 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.131 -0.981 . . . . 0.0 113.312 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.7 m80 73.79 -3.15 2.57 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.399 2.679 . . . . 0.0 113.804 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -72.49 146.98 46.47 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.741 -1.225 . . . . 0.0 112.39 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -94.69 135.26 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.405 1.482 . . . . 0.0 108.864 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.1 179.43 52.59 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.466 1.032 . . . . 0.0 113.948 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.91 145.71 51.61 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.222 1.809 . . . . 0.0 111.022 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -141.53 160.54 39.93 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.352 2.261 . . . . 0.0 108.87 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -54.49 -33.35 59.64 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.05 -35.85 80.77 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 112.396 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.53 -39.53 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.375 -0.828 . . . . 0.0 110.091 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -31.72 69.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 173.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.74 -37.14 81.77 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.633 1.106 . . . . 0.0 111.802 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -66.37 -39.65 89.24 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.071 -1.018 . . . . 0.0 112.712 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.1 -35.36 66.95 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.719 1.145 . . . . 0.0 113.886 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -58.43 -42.95 88.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.438 0.695 . . . . 0.0 111.966 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -83.91 -27.39 28.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.61 1.164 . . . . 0.0 112.992 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -67.05 -33.79 76.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.146 1.778 . . . . 0.0 112.771 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -149.65 -42.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.36 -54.78 27.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.432 1.015 . . . . 0.0 111.583 -173.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.2 m -64.56 -22.85 67.08 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -69.11 -41.82 76.91 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.125 -0.984 . . . . 0.0 112.675 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -94.16 -13.15 27.01 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.447 1.499 . . . . 0.0 114.394 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 tp -57.82 130.72 47.75 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.316 1.446 . . . . 0.0 112.849 -176.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.4 p -94.94 -18.36 21.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.005 1.322 . . . . 0.0 113.849 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -69.11 -27.94 66.04 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.832 1.653 . . . . 0.0 113.482 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.45 -9.08 51.5 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.522 1.529 . . . . 0.0 114.22 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.075 1.35 . . . . 0.0 113.126 -176.263 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -65.47 115.61 5.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.338 1.055 . . . . 0.0 112.951 -173.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.44 155.24 34.58 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 129.261 3.025 . . . . 0.0 112.141 -3.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t -168.46 139.1 2.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.946 1.298 . . . . 0.0 111.114 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.82 71.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.064 0.946 . . . . 0.0 112.519 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.33 -32.64 74.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.758 1.223 . . . . 0.0 111.743 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -94.09 -36.89 11.89 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.89 -36.38 81.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.34 0.973 . . . . 0.0 111.798 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.15 60.47 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.42 -33.04 48.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.647 0.779 . . . . 0.0 111.735 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.28 -33.54 73.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.783 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.59 -34.83 59.78 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.341 1.057 . . . . 0.0 112.456 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -70.83 -20.74 62.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.157 0.983 . . . . 0.0 112.683 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 mm -73.34 -35.47 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.148 0.979 . . . . 0.0 111.047 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -98.34 -9.94 24.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.269 1.428 . . . . 0.0 113.523 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.6 18.63 61.54 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.753 1.168 . . . . 0.0 113.987 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 mt -76.07 159.38 30.83 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.272 1.036 . . . . 0.0 111.449 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -148.6 39.41 0.88 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.13 1.372 . . . . 0.0 111.784 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -57.8 143.11 43.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.484 1.514 . . . . 0.0 112.532 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.26 161.34 31.24 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.478 0.711 . . . . 0.0 111.809 169.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.14 -35.99 67.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.734 0.814 . . . . 0.0 112.153 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.23 67.94 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.3 mt -87.51 -34.34 18.66 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.599 0.759 . . . . 0.0 111.749 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -55.79 -46.15 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.644 1.111 . . . . 0.0 110.459 170.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.82 -34.28 67.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.295 0.638 . . . . 0.0 112.419 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.76 -29.77 67.19 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.634 -1.291 . . . . 0.0 113.269 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.55 -38.21 26.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.771 1.169 . . . . 0.0 111.072 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.27 -39.21 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 118.855 0.752 . . . . 0.0 111.282 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.25 -40.66 59.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.221 1.008 . . . . 0.0 111.62 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.93 -45.28 74.78 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.636 -0.665 . . . . 0.0 110.198 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -62.0 -30.05 70.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.875 0.87 . . . . 0.0 113.01 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -75.92 -45.43 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.467 1.107 . . . . 0.0 111.012 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -75.07 -49.74 18.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.95 0.9 . . . . 0.0 112.666 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -88.57 -17.3 30.48 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.261 1.424 . . . . 0.0 113.747 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 -0.87 62.36 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.392 1.472 . . . . 0.0 114.776 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -80.37 145.0 32.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.776 1.63 . . . . 0.0 111.233 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -63.64 149.1 47.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.145 1.378 . . . . 0.0 112.723 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.87 -34.03 52.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.071 1.748 . . . . 0.0 114.642 -170.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.78 -28.84 69.74 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.53 -17.27 79.86 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 124.365 0.983 . . . . 0.0 112.63 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.6 mmt -93.8 -53.79 3.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.152 0.981 . . . . 0.0 110.601 171.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -68.64 -43.21 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.127 0.971 . . . . 0.0 112.139 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.52 -39.93 24.39 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.735 0.698 . . . . 0.0 113.288 -174.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -69.98 -20.63 63.29 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.644 0.778 . . . . 0.0 112.951 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.28 -30.81 70.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 112.624 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.76 -41.05 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 118.651 0.659 . . . . 0.0 110.437 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.31 69.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.06 0.944 . . . . 0.0 113.032 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.15 -44.59 53.04 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.787 -0.571 . . . . 0.0 111.293 170.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.93 -39.14 91.02 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 p -68.74 -48.87 62.66 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.035 0.834 . . . . 0.0 111.728 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.9 m -66.01 -31.45 72.35 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -83.84 -26.5 29.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 172.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 72.34 11.87 5.76 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.342 2.257 . . . . 0.0 113.264 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 145.57 52.63 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.291 -1.505 . . . . 0.0 112.594 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.27 141.62 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.028 1.331 . . . . 0.0 110.568 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.08 -169.56 39.11 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.375 0.988 . . . . 0.0 113.939 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 mt -134.5 143.7 47.61 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.921 1.688 . . . . 0.0 110.204 175.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -138.72 161.84 36.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.864 2.065 . . . . 0.0 109.245 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -57.73 -29.55 64.83 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -74.46 -29.59 61.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.266 1.026 . . . . 0.0 113.247 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.96 -40.5 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.75 -31.69 69.79 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.36 -45.81 89.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.17 0.988 . . . . 0.0 110.848 170.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -65.47 -33.14 75.25 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.011 -1.056 . . . . 0.0 113.328 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.69 -34.78 74.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.422 1.01 . . . . 0.0 113.498 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.84 -36.96 75.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.792 0.724 . . . . 0.0 111.94 172.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -85.97 -15.84 40.27 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.565 1.146 . . . . 0.0 112.367 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.56 -20.89 28.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.44 1.496 . . . . 0.0 112.879 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -150.8 -51.57 0.13 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.45 -38.74 88.05 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.247 0.93 . . . . 0.0 113.017 -168.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.7 p -74.9 -23.62 58.4 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -77.17 -47.45 20.3 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.112 -0.992 . . . . 0.0 113.187 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -149.35 121.94 8.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.887 1.675 . . . . 0.0 110.387 -166.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -158.8 142.87 15.46 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 127.211 2.205 . . . . 0.0 110.896 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.8 p -77.0 -16.31 59.36 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -64.11 -33.36 75.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.819 1.648 . . . . 0.0 112.915 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.08 -6.04 15.23 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.603 1.561 . . . . 0.0 114.829 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 C--O 1.256 1.409 0 C-N-CA 125.004 1.322 . . . . 0.0 113.193 -176.465 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.8 tpp . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -72.48 161.81 30.31 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.6 66.21 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 t 82.78 125.5 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 128.676 2.791 . . . . 0.0 113.485 173.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.68 71.45 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.327 -0.858 . . . . 0.0 112.102 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -69.61 -22.97 63.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.035 0.934 . . . . 0.0 112.241 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -42.98 10.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.036 0.934 . . . . 0.0 111.203 173.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -36.08 80.13 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 111.799 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.74 65.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.72 -31.68 68.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.136 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -70.96 -33.01 70.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.854 0.861 . . . . 0.0 112.373 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -54.08 -32.91 56.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.206 1.403 . . . . 0.0 112.525 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.68 -29.11 70.4 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.418 1.487 . . . . 0.0 112.315 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.8 mm -83.6 -39.35 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.768 1.227 . . . . 0.0 110.475 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -84.82 -6.94 59.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.823 1.249 . . . . 0.0 113.618 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.57 70.73 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.735 1.16 . . . . 0.0 113.247 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.37 161.46 20.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.435 1.494 . . . . 0.0 112.154 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -153.3 129.67 10.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.968 1.707 . . . . 0.0 109.971 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 m -149.33 156.59 42.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.134 1.774 . . . . 0.0 111.238 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.55 154.45 34.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.106 0.562 . . . . 0.0 110.921 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.22 -33.77 59.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.36 1.064 . . . . 0.0 112.656 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.17 70.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.72 0.808 . . . . 0.0 112.702 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.06 -35.81 25.43 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.691 0.678 . . . . 0.0 112.132 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.61 -45.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.195 0.907 . . . . 0.0 110.752 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.64 -29.37 69.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.174 0.99 . . . . 0.0 112.775 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -65.8 -34.14 77.48 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 174.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.03 -35.44 66.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.917 1.235 . . . . 0.0 111.707 172.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.34 -40.7 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 118.798 0.726 . . . . 0.0 110.748 170.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.31 -31.79 69.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.293 1.037 . . . . 0.0 111.964 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.77 -46.7 44.03 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.663 -1.273 . . . . 0.0 110.757 171.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.17 -37.39 72.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.789 1.177 . . . . 0.0 112.734 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -73.47 -33.38 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.954 1.302 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -90.81 -46.28 8.31 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.337 0.971 . . . . 0.0 113.033 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -82.49 -20.44 36.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.408 1.083 . . . . 0.0 112.561 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.6 2.45 88.02 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.803 1.668 . . . . 0.0 114.784 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -90.54 143.29 26.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.265 1.426 . . . . 0.0 110.538 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -72.26 161.78 30.38 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.9 -40.08 60.13 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.698 2.399 . . . . 0.0 112.843 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.15 -25.29 66.9 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.0 -52.37 4.1 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 124.413 1.006 . . . . 0.0 110.936 172.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -38.91 84.41 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.933 . . . . 0.0 112.777 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.65 -48.87 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.141 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.22 -26.22 62.22 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 115.244 0.857 . . . . 0.0 115.244 -166.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -85.57 -16.1 40.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.427 1.114 . . . . 0.0 113.437 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.58 -27.32 67.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.614 1.166 . . . . 0.0 112.997 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mp -62.23 -31.29 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.872 0.869 . . . . 0.0 111.15 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.4 78.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.692 0.797 . . . . 0.0 112.922 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.51 -47.43 69.98 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.118 0.967 . . . . 0.0 110.43 175.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 81.8 m -60.84 -38.48 85.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.11 0.964 . . . . 0.0 112.494 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -65.7 -49.27 69.15 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.965 1.306 . . . . 0.0 110.549 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -65.6 -34.49 78.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.4 p -87.26 -23.71 24.61 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 76.95 5.58 3.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 128.678 2.791 . . . . 0.0 112.737 -175.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -69.83 135.02 49.16 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.927 -1.108 . . . . 0.0 112.365 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -93.5 -4.64 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.97 1.308 . . . . 0.0 113.847 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.84 161.66 24.58 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.611 1.577 . . . . 0.0 113.21 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.58 161.96 28.38 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.469 1.508 . . . . 0.0 111.716 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -141.51 168.53 19.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.921 2.088 . . . . 0.0 109.732 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -60.7 -28.12 68.4 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.16 -33.34 61.49 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.119 0.968 . . . . 0.0 112.114 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -69.78 -42.42 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.45 -0.781 . . . . 0.0 110.361 174.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.53 -26.68 62.75 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.139 0.881 . . . . 0.0 113.304 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.2 -39.0 82.57 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.108 -0.995 . . . . 0.0 111.404 166.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -66.96 -37.81 84.95 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.305 -0.872 . . . . 0.0 112.721 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.06 -34.81 45.17 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.591 1.557 . . . . 0.0 113.883 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -55.82 -43.58 77.07 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.786 1.234 . . . . 0.0 112.527 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -95.23 -27.32 15.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.434 1.493 . . . . 0.0 112.267 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -69.39 -37.42 77.53 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.909 1.684 . . . . 0.0 112.226 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -144.62 -40.25 0.26 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -54.22 25.97 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.533 1.06 . . . . 0.0 113.354 -169.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.8 p -64.67 -40.13 94.87 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.4 -0.813 . . . . 0.0 112.414 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -69.26 -20.14 63.93 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -89.0 -40.9 12.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.372 1.469 . . . . 0.0 112.487 172.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.92 -46.5 52.25 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.905 0.882 . . . . 0.0 112.187 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 m 63.46 16.39 9.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.015 1.726 . . . . 0.0 114.36 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -147.93 127.59 13.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.648 1.579 . . . . 0.0 111.568 -170.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 68.13 -18.65 0.15 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 128.194 2.597 . . . . 0.0 116.512 171.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 127.154 2.182 . . . . 0.0 110.964 -175.764 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.725 0.774 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.15 68.38 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.063 0.945 . . . . 0.0 113.477 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.01 -28.25 68.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.034 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.6 -34.47 30.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.933 0.788 . . . . 0.0 110.895 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -67.71 -43.13 80.78 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.072 0.949 . . . . 0.0 111.006 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.83 66.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.361 1.465 . . . . 0.0 114.389 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.0 -30.87 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.9 0.773 . . . . 0.0 112.589 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -79.55 -39.38 31.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.205 0.602 . . . . 0.0 112.064 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -55.83 -34.47 65.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.537 1.135 . . . . 0.0 112.387 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.69 -19.24 62.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.131 1.372 . . . . 0.0 113.033 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.42 -45.55 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.763 1.165 . . . . 0.0 109.984 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -93.27 -5.98 48.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.829 1.252 . . . . 0.0 113.644 -171.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 28.36 54.18 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.625 1.107 . . . . 0.0 113.458 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -80.76 89.19 5.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.459 1.504 . . . . 0.0 109.773 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.61 110.72 8.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.604 0.762 . . . . 0.0 112.123 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.9 m -134.86 144.56 47.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.136 2.174 . . . . 0.0 110.622 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -79.81 164.1 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.138 0.575 . . . . 0.0 111.082 160.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.17 -38.26 51.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.287 1.035 . . . . 0.0 112.661 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.01 -28.93 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.77 -27.9 22.03 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.043 0.937 . . . . 0.0 112.143 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.13 -47.29 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 119.677 1.126 . . . . 0.0 110.117 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.03 -28.19 69.41 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.606 0.762 . . . . 0.0 112.299 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -59.58 -37.72 79.25 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.674 -1.266 . . . . 0.0 112.449 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.88 -34.25 64.37 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.362 0.983 . . . . 0.0 112.053 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.85 -44.1 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.003 0.82 . . . . 0.0 110.5 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.79 -41.99 83.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.281 173.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.97 -46.61 83.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.336 0.971 . . . . 0.0 111.599 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.8 m -56.1 -39.87 72.82 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.716 1.143 . . . . 0.0 112.21 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -75.36 -42.59 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.028 1.331 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -69.39 -43.1 74.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.544 0.738 . . . . 0.0 112.219 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.71 -17.06 32.59 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.198 0.999 . . . . 0.0 112.95 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.17 58.45 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.249 0.928 . . . . 0.0 111.453 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -127.84 140.64 51.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.467 1.507 . . . . 0.0 110.684 -164.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.26 141.13 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.843 0.857 . . . . 0.0 112.726 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -63.42 -21.3 66.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.931 1.693 . . . . 0.0 115.415 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.03 -22.34 66.79 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.637 1.108 . . . . 0.0 112.569 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.98 -50.42 6.89 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -37.37 84.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.285 1.034 . . . . 0.0 112.637 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -79.58 -44.95 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.621 0.768 . . . . 0.0 111.199 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -44.64 47.53 Favored Glycine 0 N--CA 1.47 0.929 0 CA-C-N 118.993 0.815 . . . . 0.0 114.313 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -76.38 -22.19 55.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 117.833 0.816 . . . . 0.0 112.646 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.35 -28.98 68.41 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.835 1.254 . . . . 0.0 112.675 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.63 -42.96 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.538 0.735 . . . . 0.0 111.004 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.62 84.16 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 112.127 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.58 -47.99 73.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.562 0.745 . . . . 0.0 111.33 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -62.25 -35.34 78.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.2 m -65.05 -47.01 78.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.365 1.066 . . . . 0.0 111.185 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.2 m -64.22 -34.58 78.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.5 p -83.62 -15.02 50.6 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 71.2 7.41 6.12 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 128.306 2.643 . . . . 0.0 113.237 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.55 127.24 32.66 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.722 -1.236 . . . . 0.0 112.707 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.26 -12.17 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 124.517 1.127 . . . . 0.0 113.969 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.68 150.5 20.85 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.275 1.893 . . . . 0.0 112.361 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.66 162.41 13.09 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.613 1.165 . . . . 0.0 112.08 -173.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.3 p -134.49 165.38 25.33 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.747 . . . . 0.0 110.766 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.9 p -59.09 -25.2 63.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.33 -43.29 51.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.888 0.875 . . . . 0.0 111.405 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.5 mt -61.85 -49.35 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-N 119.37 0.987 . . . . 0.0 110.863 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.33 -20.33 61.5 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -72.61 -50.33 26.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.285 0.948 . . . . 0.0 111.049 167.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -64.2 -29.13 70.25 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.095 -1.003 . . . . 0.0 113.369 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -55.04 -30.87 60.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.62 1.168 . . . . 0.0 113.536 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.4 -39.31 90.23 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.29 0.636 . . . . 0.0 112.35 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -91.07 -26.1 19.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.935 1.294 . . . . 0.0 112.873 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.26 -24.42 60.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.549 1.539 . . . . 0.0 112.77 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -148.77 -45.49 0.15 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.9 -48.87 27.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.072 0.851 . . . . 0.0 113.192 -168.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.5 p -68.87 -23.91 64.28 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.037 -1.039 . . . . 0.0 113.259 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 124.565 1.146 . . . . 0.0 113.785 178.863 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.78 71.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.676 1.19 . . . . 0.0 113.66 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -70.92 -27.83 64.07 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -79.6 -29.46 41.17 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.503 0.721 . . . . 0.0 110.702 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.8 -46.18 72.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.425 0.69 . . . . 0.0 110.625 169.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.97 69.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.457 1.103 . . . . 0.0 113.586 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.77 -25.21 68.1 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.292 1.037 . . . . 0.0 112.421 173.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -85.12 -40.82 16.31 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.307 0.958 . . . . 0.0 112.198 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.49 -43.34 64.97 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.189 0.904 . . . . 0.0 112.06 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -9.9 58.77 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.626 1.17 . . . . 0.0 114.031 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -86.06 -41.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.71 1.141 . . . . 0.0 109.915 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -81.29 -21.29 39.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.27 20.23 42.74 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.796 1.188 . . . . 0.0 113.873 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.44 155.87 40.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.803 1.241 . . . . 0.0 111.125 174.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.44 28.36 3.68 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.539 1.135 . . . . 0.0 113.737 -165.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -58.97 128.06 35.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.116 -0.99 . . . . 0.0 110.928 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.02 170.34 14.04 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.223 0.609 . . . . 0.0 111.036 166.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -54.41 -37.35 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.847 0.859 . . . . 0.0 112.522 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.73 -24.3 64.44 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.17 -31.93 14.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.145 0.978 . . . . 0.0 111.867 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.5 -42.76 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.594 1.088 . . . . 0.0 110.364 168.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.31 -31.91 62.03 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 172.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -69.96 -40.11 75.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.23 -36.84 71.97 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.517 1.053 . . . . 0.0 110.868 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.44 -42.87 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 118.46 0.573 . . . . 0.0 111.226 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.25 -43.26 78.52 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.083 0.856 . . . . 0.0 111.687 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.72 -47.53 85.88 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 111.279 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.1 -32.42 68.08 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.867 -1.146 . . . . 0.0 113.315 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.22 -41.01 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.29 1.436 . . . . 0.0 111.765 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -75.77 -36.36 59.85 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.079 0.854 . . . . 0.0 113.054 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -100.53 -10.18 21.3 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.36 3.66 58.21 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.917 1.246 . . . . 0.0 114.442 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -85.18 148.54 26.05 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.563 1.545 . . . . 0.0 110.85 -174.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -67.53 156.3 37.04 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.017 0.913 . . . . 0.0 113.158 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -54.07 -35.66 62.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.188 2.195 . . . . 0.0 113.452 -174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.89 -33.59 70.68 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.798 1.239 . . . . 0.0 113.157 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 -32.97 56.52 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.814 0.721 . . . . 0.0 112.638 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -43.05 22.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.486 1.115 . . . . 0.0 111.235 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.7 t -74.62 -42.98 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.607 0.763 . . . . 0.0 112.476 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -30.48 61.87 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 118.664 0.666 . . . . 0.0 114.047 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -82.75 -18.07 42.03 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.064 0.932 . . . . 0.0 112.986 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -65.27 -23.01 66.93 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.993 -1.067 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.04 -37.17 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.096 0.958 . . . . 0.0 111.436 175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.11 -21.96 66.38 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.004 0.922 . . . . 0.0 112.847 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.54 -66.9 0.78 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.899 0.879 . . . . 0.0 109.339 167.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m -63.45 -37.53 87.65 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -72.51 -32.09 65.87 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.797 . . . . 0.0 111.693 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -75.95 -39.75 55.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.65 0.78 . . . . 0.0 112.529 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 p -78.56 -27.1 45.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 112.758 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.3 m80 78.07 5.1 2.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.685 2.794 . . . . 0.0 112.94 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.01 119.17 12.89 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 111.54 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -83.22 -13.93 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.538 1.135 . . . . 0.0 113.098 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.98 156.27 22.84 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.433 1.492 . . . . 0.0 112.1 172.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.0 139.72 51.96 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.144 1.777 . . . . 0.0 109.485 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 p -145.03 162.6 36.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.669 1.588 . . . . 0.0 110.649 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 m -58.11 -32.51 68.18 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.643 -0.661 . . . . 0.0 112.072 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.96 -39.68 75.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.081 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.6 -44.05 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.912 0.778 . . . . 0.0 110.826 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.23 -31.98 62.82 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.188 0.904 . . . . 0.0 113.231 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -73.44 -26.93 61.16 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.513 1.051 . . . . 0.0 112.59 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.8 t -69.96 -39.24 76.14 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.199 -1.563 . . . . 0.0 111.897 168.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -60.5 -34.78 74.58 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.094 -1.004 . . . . 0.0 113.296 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.66 -44.16 76.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.971 0.508 . . . . 0.0 111.273 171.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -75.8 -26.0 56.89 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -70.03 -25.46 63.58 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.615 1.566 . . . . 0.0 113.429 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -153.36 -39.6 0.1 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.08 -47.28 11.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.638 1.108 . . . . 0.0 112.545 -169.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -16.84 62.79 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 124.542 1.137 . . . . 0.0 113.623 173.601 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.833 0.349 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.62 77.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.531 0.732 . . . . 0.0 112.414 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -74.26 -33.86 63.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.538 0.735 . . . . 0.0 111.338 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -71.76 -35.8 70.21 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.065 0.946 . . . . 0.0 111.371 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.9 -43.6 71.41 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.857 0.863 . . . . 0.0 111.461 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.02 -24.43 66.16 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.15 -33.09 72.86 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.874 0.761 . . . . 0.0 112.217 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.81 -47.32 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.838 0.745 . . . . 0.0 110.15 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.51 -36.77 69.56 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.593 1.157 . . . . 0.0 112.154 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.83 -31.42 72.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.792 1.637 . . . . 0.0 112.939 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.67 -42.98 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 121.436 -0.79 . . . . 0.0 110.844 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -94.82 -2.64 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.75 48.75 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.446 1.022 . . . . 0.0 114.602 172.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.42 94.22 8.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.514 1.157 . . . . 0.0 109.416 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -79.19 51.33 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.542 1.537 . . . . 0.0 112.054 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.3 145.62 54.95 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.015 1.326 . . . . 0.0 112.049 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.97 161.54 29.99 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.545 0.738 . . . . 0.0 111.909 170.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.02 -36.21 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.058 0.943 . . . . 0.0 111.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.39 68.35 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.515 -0.741 . . . . 0.0 112.988 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.96 -35.47 22.02 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.554 0.742 . . . . 0.0 111.78 172.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.32 -46.25 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.869 1.213 . . . . 0.0 110.61 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.8 -34.76 67.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.161 0.984 . . . . 0.0 112.209 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.45 -41.36 96.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.161 0.891 . . . . 0.0 112.661 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.39 -35.93 60.98 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.558 1.072 . . . . 0.0 112.015 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.09 -43.42 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.028 0.831 . . . . 0.0 111.03 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.51 -37.79 87.43 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.698 -0.626 . . . . 0.0 112.097 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.73 -46.75 86.64 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.588 -1.32 . . . . 0.0 111.291 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.8 m -58.34 -33.32 69.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.964 0.905 . . . . 0.0 112.398 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.14 -41.2 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.432 1.093 . . . . 0.0 112.014 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -43.24 23.76 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.75 0.704 . . . . 0.0 112.667 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -88.47 -21.29 24.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.082 0.953 . . . . 0.0 113.215 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.4 3.09 69.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.45 1.024 . . . . 0.0 114.691 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -82.99 151.36 25.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.03 1.332 . . . . 0.0 109.959 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -68.85 164.73 21.34 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -61.19 -35.22 76.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.284 1.434 . . . . 0.0 111.922 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.42 -37.01 76.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.667 1.187 . . . . 0.0 111.945 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.75 64.96 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 123.915 0.769 . . . . 0.0 112.174 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -53.82 38.73 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.926 0.891 . . . . 0.0 110.99 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.92 -39.27 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.16 0.584 . . . . 0.0 112.185 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -41.8 94.22 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.957 0.798 . . . . 0.0 113.298 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.83 -27.09 60.14 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 117.684 0.742 . . . . 0.0 112.382 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.76 -38.47 76.78 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.707 0.685 . . . . 0.0 111.686 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.7 mt -60.15 -46.34 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.137 0.975 . . . . 0.0 110.657 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.01 88.74 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.96 0.504 . . . . 0.0 111.52 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -66.05 -51.8 54.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -68.35 -27.26 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.461 1.028 . . . . 0.0 113.538 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -67.69 -44.32 78.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.989 0.916 . . . . 0.0 110.559 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 t -63.95 -41.38 97.61 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.6 p -79.62 -28.78 40.94 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 70.75 8.57 6.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 127.36 2.264 . . . . 0.0 114.264 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -70.68 152.95 43.3 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.219 -1.551 . . . . 0.0 112.126 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.1 m -76.27 129.26 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.073 0.949 . . . . 0.0 110.617 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.24 -168.5 37.88 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 123.96 0.791 . . . . 0.0 113.74 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 159.56 40.3 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.672 1.589 . . . . 0.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -134.02 167.02 21.39 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.037 1.735 . . . . 0.0 111.372 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -63.66 -21.54 66.43 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -77.77 -43.39 30.89 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.212 1.005 . . . . 0.0 111.049 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.43 -47.06 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.422 -0.799 . . . . 0.0 110.187 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.4 -13.59 61.89 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -79.24 -45.76 19.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.629 1.104 . . . . 0.0 110.818 164.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -63.06 -31.43 72.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.159 0.984 . . . . 0.0 113.091 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -57.84 -29.18 64.76 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.148 1.379 . . . . 0.0 114.034 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.28 -38.8 90.75 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.601 -0.687 . . . . 0.0 111.799 173.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -78.88 -27.14 43.95 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.066 -1.021 . . . . 0.0 112.283 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -67.84 -28.82 67.88 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.029 1.332 . . . . 0.0 113.191 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -151.69 -44.45 0.11 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.41 -42.18 65.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.604 1.093 . . . . 0.0 112.714 -169.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.9 t -74.27 -16.68 60.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.399 1.08 . . . . 0.0 113.29 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 N--CA 1.477 0.897 0 O-C-N 120.671 -1.268 . . . . 0.0 113.492 179.382 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 122.13 0.967 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.94 97.43 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.205 1.002 . . . . 0.0 113.106 -171.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -67.09 -25.82 66.41 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -79.38 -42.69 25.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.99 0.516 . . . . 0.0 111.093 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.11 -40.18 78.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.918 -0.489 . . . . 0.0 111.821 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.78 70.05 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.83 -33.81 76.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 111.502 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -70.99 -44.06 66.73 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.119 0.872 . . . . 0.0 111.277 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.8 mt -54.44 -39.6 67.55 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 123.908 0.883 . . . . 0.0 111.797 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -66.74 -29.79 69.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.51 1.124 . . . . 0.0 113.086 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.44 -42.64 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.55 1.068 . . . . 0.0 111.194 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.74 -11.69 58.11 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 20.85 57.61 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.225 1.393 . . . . 0.0 114.212 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.34 121.41 21.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.608 1.163 . . . . 0.0 110.955 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.83 146.15 35.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.195 0.998 . . . . 0.0 111.187 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.9 p -164.32 -179.76 6.28 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -170.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.74 168.26 23.38 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.854 2.462 . . . . 0.0 108.411 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.73 -38.39 47.17 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.417 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.05 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.42 -33.97 21.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.84 -47.28 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.311 -0.868 . . . . 0.0 110.071 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.1 -34.49 72.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.967 0.907 . . . . 0.0 112.158 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -61.04 -33.11 72.79 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.958 -1.089 . . . . 0.0 113.028 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.34 -39.0 15.72 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.625 1.102 . . . . 0.0 112.479 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.57 -35.03 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 119.528 1.058 . . . . 0.0 111.416 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.36 -37.64 72.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.86 0.864 . . . . 0.0 112.062 171.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.73 -46.58 81.67 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.293 0.951 . . . . 0.0 110.534 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.35 -39.98 77.1 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.495 0.718 . . . . 0.0 112.376 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.75 -40.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.784 1.233 . . . . 0.0 111.601 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -76.95 -44.44 31.4 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.787 0.835 . . . . 0.0 112.903 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.65 -16.02 31.4 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.756 1.222 . . . . 0.0 113.84 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.81 33.58 66.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.883 0.754 . . . . 0.0 112.765 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -120.18 148.9 43.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.14 1.376 . . . . 0.0 111.46 -170.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -65.6 151.11 47.24 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 0.0 113.614 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.12 -39.7 60.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.308 1.843 . . . . 0.0 113.336 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.16 -32.37 73.74 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.705 1.202 . . . . 0.0 111.885 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.64 -21.5 74.76 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.484 1.04 . . . . 0.0 112.869 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.5 mmt -87.81 -61.15 1.78 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.889 0.876 . . . . 0.0 110.455 167.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.8 -40.58 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.183 0.993 . . . . 0.0 112.051 -165.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.77 -32.71 61.02 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 118.584 0.629 . . . . 0.0 113.094 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -78.75 -29.05 44.97 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.695 0.798 . . . . 0.0 111.851 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.21 -30.37 71.43 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.994 0.918 . . . . 0.0 112.085 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.0 mm -58.88 -52.46 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.688 0.677 . . . . 0.0 110.463 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.76 -37.45 79.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.391 0.676 . . . . 0.0 112.167 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.6 -47.35 72.96 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.708 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.31 -42.11 94.89 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.999 0.818 . . . . 0.0 112.257 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.4 m -61.98 -41.76 98.38 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.912 1.285 . . . . 0.0 111.095 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.6 m -68.21 -38.25 81.72 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.5 p -82.61 -24.54 33.82 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.718 0.807 . . . . 0.0 112.659 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.2 m80 85.82 0.16 0.7 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 130.181 3.392 . . . . 0.0 113.121 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -77.38 164.45 25.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.643 1.177 . . . . 0.0 111.956 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.76 150.52 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.837 1.655 . . . . 0.0 110.296 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.82 -11.01 73.26 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.611 1.1 . . . . 0.0 114.527 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.8 mt 69.72 164.63 0.26 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.118 2.567 . . . . 0.0 114.506 167.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 t -175.74 154.94 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.696 2.799 . . . . 0.0 108.322 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -52.8 -37.04 59.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.468 1.107 . . . . 0.0 113.476 -170.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.73 -37.68 79.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.654 1.182 . . . . 0.0 112.514 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.07 -43.34 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.423 -0.798 . . . . 0.0 109.991 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.69 -34.74 72.29 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.455 -0.778 . . . . 0.0 112.759 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.62 -36.8 84.77 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.505 0.722 . . . . 0.0 111.306 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.1 m -70.29 -41.7 73.01 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.286 -0.884 . . . . 0.0 112.279 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -53.99 -33.09 56.14 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.106 1.363 . . . . 0.0 114.056 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.5 -34.37 64.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.841 0.856 . . . . 0.0 112.263 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.48 -5.71 51.29 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.703 1.201 . . . . 0.0 113.375 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.51 -31.83 19.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.419 1.088 . . . . 0.0 112.676 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -140.23 -43.03 0.42 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.2 -40.0 68.18 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.415 1.007 . . . . 0.0 112.658 -169.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.2 p -76.08 -14.54 60.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 124.064 0.946 . . . . 0.0 112.84 -176.445 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.7 -42.75 35.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.953 1.701 . . . . 0.0 114.482 -170.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -67.34 -25.56 66.05 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.246 1.418 . . . . 0.0 112.563 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -93.74 -43.33 8.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.173 . . . . 0.0 111.09 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.41 -44.25 76.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.689 1.196 . . . . 0.0 111.943 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -26.0 63.35 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.86 -22.24 56.4 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.731 0.696 . . . . 0.0 112.799 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.65 -39.51 36.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.2 0.909 . . . . 0.0 111.36 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt -52.68 -46.89 67.45 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.526 0.731 . . . . 0.0 111.956 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.73 -15.91 62.21 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.64 -44.52 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.991 1.269 . . . . 0.0 110.194 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -79.51 -16.08 56.64 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.36 17.85 51.41 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.843 1.211 . . . . 0.0 113.886 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.11 158.8 34.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.575 1.188 . . . . 0.0 111.173 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -145.95 128.18 15.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.804 1.242 . . . . 0.0 110.654 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.0 m -140.2 145.26 37.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.93 1.692 . . . . 0.0 111.062 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -71.84 162.75 28.98 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.837 0.455 . . . . 0.0 110.829 159.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.04 -36.25 62.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.05 65.29 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 mt -89.36 -29.26 19.24 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 0.0 112.296 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 98.3 mt -60.89 -50.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.964 1.256 . . . . 0.0 109.168 166.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.25 -33.72 54.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.194 0.998 . . . . 0.0 112.546 170.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -66.94 -27.05 67.16 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.962 1.255 . . . . 0.0 113.732 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.61 -39.28 18.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.515 1.052 . . . . 0.0 111.754 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.4 t -61.83 -34.27 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.688 0.676 . . . . 0.0 111.616 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.06 -38.6 62.62 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.348 1.459 . . . . 0.0 112.0 171.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.36 -42.91 82.7 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.516 -0.74 . . . . 0.0 110.694 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.5 -36.32 80.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.655 0.782 . . . . 0.0 112.634 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.23 -42.49 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 0.0 111.257 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.84 -49.17 18.76 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.768 1.227 . . . . 0.0 112.739 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.49 -18.73 20.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.408 1.483 . . . . 0.0 113.576 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.91 80.35 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.636 1.112 . . . . 0.0 114.04 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.68 147.42 25.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.767 1.627 . . . . 0.0 110.787 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -65.61 155.34 36.13 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 112.774 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -64.44 -28.09 69.44 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.628 1.171 . . . . 0.0 113.498 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.39 -30.89 71.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.009 0.924 . . . . 0.0 112.133 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.54 -15.68 79.26 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.536 1.541 . . . . 0.0 112.841 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 mmt -87.83 -59.93 2.11 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.085 0.954 . . . . 0.0 109.773 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.76 -43.24 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.819 0.848 . . . . 0.0 111.695 -171.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.79 77.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 119.168 0.895 . . . . 0.0 113.379 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -80.41 -27.14 38.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 117.798 0.799 . . . . 0.0 112.34 175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.99 -33.31 75.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 111.92 173.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.94 -48.32 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.46 0.704 . . . . 0.0 110.77 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.28 94.42 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.87 0.759 . . . . 0.0 112.141 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -62.27 -33.31 74.38 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.194 0.998 . . . . 0.0 112.852 176.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.93 -36.39 21.46 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -69.63 -43.9 71.72 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.904 1.282 . . . . 0.0 111.699 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 p -92.53 -25.77 18.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.534 1.534 . . . . 0.0 113.319 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.7 m80 83.09 20.59 0.2 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.78 2.832 . . . . 0.0 112.423 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -63.47 149.56 45.79 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.601 -1.312 . . . . 0.0 112.626 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.4 132.77 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 109.111 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.64 -177.45 51.53 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.18 0.895 . . . . 0.0 113.541 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.3 mt -136.16 156.94 47.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.667 1.587 . . . . 0.0 111.325 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -172.98 156.59 3.34 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.818 2.447 . . . . 0.0 108.721 -171.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 m -52.53 -31.62 36.46 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.353 1.461 . . . . 0.0 114.543 -169.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.5 -36.87 83.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.087 0.955 . . . . 0.0 112.261 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -72.96 -39.77 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.063 -1.023 . . . . 0.0 110.251 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.68 -33.21 68.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.58 -45.37 93.23 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.597 -0.689 . . . . 0.0 111.283 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.2 m -66.88 -34.14 77.14 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.346 -0.846 . . . . 0.0 112.766 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.53 -33.11 73.27 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.661 1.118 . . . . 0.0 113.471 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.81 -44.36 96.99 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.331 -0.856 . . . . 0.0 111.498 172.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -74.16 -29.33 61.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.936 0.894 . . . . 0.0 112.659 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -68.81 -34.09 74.94 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.356 1.863 . . . . 0.0 112.825 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -144.98 -42.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.73 -39.19 73.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.364 1.438 . . . . 0.0 112.031 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.4 m -68.54 -17.79 64.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 170.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 124.825 1.25 . . . . 0.0 113.995 179.288 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.17 74.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.112 0.965 . . . . 0.0 113.238 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -66.42 -34.02 77.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.92 0.888 . . . . 0.0 112.15 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -74.64 -33.01 62.45 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.977 0.808 . . . . 0.0 111.297 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.3 -47.5 73.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.345 0.658 . . . . 0.0 110.99 169.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.97 76.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.502 1.121 . . . . 0.0 113.047 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.18 -30.66 71.58 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -29.39 55.73 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.6 mt -50.22 -46.37 54.59 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.543 1.137 . . . . 0.0 112.664 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -65.08 -23.77 67.26 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.414 1.085 . . . . 0.0 113.071 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.25 -36.95 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.098 0.959 . . . . 0.0 111.03 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -86.87 -8.63 57.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.224 1.41 . . . . 0.0 113.2 174.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 11.39 74.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.662 1.125 . . . . 0.0 114.12 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.17 162.71 27.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.609 1.164 . . . . 0.0 111.633 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.94 123.03 4.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.974 1.71 . . . . 0.0 109.333 172.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -137.24 150.64 47.99 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.031 1.333 . . . . 0.0 111.574 -172.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -79.39 162.35 25.58 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.771 0.828 . . . . 0.0 111.939 168.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -53.77 -37.67 63.68 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.501 1.12 . . . . 0.0 112.194 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.62 68.29 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.02 -38.97 18.58 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.553 0.741 . . . . 0.0 110.587 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.83 -42.52 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.983 0.913 . . . . 0.0 111.355 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.17 -34.25 66.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.87 0.868 . . . . 0.0 112.335 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -67.8 -29.75 69.01 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.741 1.155 . . . . 0.0 112.98 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.93 -40.45 24.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.968 1.258 . . . . 0.0 111.418 171.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.36 -40.13 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.424 0.689 . . . . 0.0 111.165 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.14 -48.81 61.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 111.564 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.28 -43.51 86.2 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.357 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.29 -39.69 76.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.268 0.94 . . . . 0.0 112.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.02 -41.56 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 111.871 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -73.54 -42.26 61.93 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.89 0.876 . . . . 0.0 112.856 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CD2' HD12 ' A' ' 70' ' ' LEU . 73.1 m-85 -95.01 -16.39 22.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.757 1.223 . . . . 0.0 113.652 -175.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.26 7.22 86.86 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.214 1.388 . . . . 0.0 114.466 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.06 142.89 27.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.856 1.263 . . . . 0.0 110.368 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -71.31 158.26 36.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.933 1.349 . . . . 0.0 114.235 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.88 -36.97 68.21 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.587 2.755 . . . . 0.0 113.207 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.05 -28.29 68.96 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.567 1.147 . . . . 0.0 112.695 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.18 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.9 0.762 . . . . 0.0 111.54 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.86 89.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.004 0.922 . . . . 0.0 112.269 177.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -74.69 -42.98 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.013 0.925 . . . . 0.0 111.703 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.83 -42.62 9.62 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 118.804 0.729 . . . . 0.0 114.464 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -75.63 -20.77 58.27 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.651 1.225 . . . . 0.0 112.378 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -28.04 69.71 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.858 1.263 . . . . 0.0 112.43 173.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.05 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.122 0.969 . . . . 0.0 110.936 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.54 75.0 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.118 0.967 . . . . 0.0 112.762 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.32 -44.59 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.315 0.646 . . . . 0.0 111.073 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.3 -42.53 99.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.04 0.936 . . . . 0.0 112.74 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -69.95 -45.23 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.861 0.755 . . . . 0.0 112.123 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.0 t -61.43 -40.31 93.98 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.225 1.01 . . . . 0.0 112.943 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.0 p -80.46 -18.3 49.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.5 m80 71.96 10.67 6.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 128.05 2.54 . . . . 0.0 113.213 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -72.27 157.68 37.26 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.869 1.268 . . . . 0.0 112.923 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.31 148.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.953 1.701 . . . . 0.0 110.254 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 172.04 39.82 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.296 0.95 . . . . 0.0 112.914 -171.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.6 mt -136.15 153.97 51.11 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.423 1.489 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 t -172.49 155.37 3.4 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.346 2.258 . . . . 0.0 109.259 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -54.85 -30.28 57.21 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -164.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.14 -33.6 75.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.794 0.838 . . . . 0.0 112.527 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.3 mt -73.2 -42.71 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.304 1.042 . . . . 0.0 109.844 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.55 -32.32 69.71 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.732 -0.605 . . . . 0.0 112.586 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -66.99 -40.12 87.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.98 0.912 . . . . 0.0 111.613 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -66.14 -40.13 90.36 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.282 -0.886 . . . . 0.0 112.261 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -53.62 -31.28 46.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.216 1.407 . . . . 0.0 114.254 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -54.41 -34.94 62.31 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.994 0.918 . . . . 0.0 112.7 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.27 -15.44 24.49 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 112.76 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.63 -17.85 40.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.541 1.136 . . . . 0.0 113.106 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -152.04 -49.71 0.11 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 34' ' ' TYR . 3.7 mm? -68.51 -44.65 74.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.868 1.213 . . . . 0.0 113.569 -169.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -65.93 -23.98 66.73 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 N--CA 1.473 0.705 0 O-C-N 121.08 -1.013 . . . . 0.0 111.32 173.71 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.96 85.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.409 1.084 . . . . 0.0 112.743 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -70.37 -28.1 64.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.798 0.839 . . . . 0.0 112.311 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -81.43 -27.63 34.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.412 0.685 . . . . 0.0 111.853 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -82.51 -45.21 14.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.033 0.933 . . . . 0.0 112.172 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.09 65.33 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -170.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.16 -33.08 73.81 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.0 -22.85 55.39 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.01 -48.56 64.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.703 1.201 . . . . 0.0 112.205 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -72.12 -11.54 60.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.563 1.145 . . . . 0.0 113.748 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -73.59 -40.17 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.065 0.848 . . . . 0.0 109.939 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.03 -13.88 49.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.907 1.283 . . . . 0.0 113.188 174.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.01 11.95 59.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.21 1.386 . . . . 0.0 114.255 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -74.07 160.32 31.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.561 1.18 . . . . 0.0 111.016 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -153.71 133.44 13.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.417 1.487 . . . . 0.0 109.527 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -130.69 148.07 52.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.895 1.278 . . . . 0.0 111.891 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.12 161.0 29.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.17 0.588 . . . . 0.0 111.135 162.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -55.2 -34.89 64.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.319 1.048 . . . . 0.0 112.583 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.89 -30.71 70.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.638 0.775 . . . . 0.0 112.92 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.07 -34.25 22.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.723 0.809 . . . . 0.0 111.576 174.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.5 -47.06 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.424 1.011 . . . . 0.0 110.082 171.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -56.16 -39.03 71.71 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.478 1.111 . . . . 0.0 111.745 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -58.28 -46.54 85.87 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.529 1.058 . . . . 0.0 112.108 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.14 -38.1 72.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.682 1.128 . . . . 0.0 112.268 176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.06 -41.21 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.38 0.991 . . . . 0.0 110.989 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.22 -37.49 80.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.882 0.765 . . . . 0.0 111.99 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.8 -47.24 81.69 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.85 1.205 . . . . 0.0 110.546 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.7 m -58.04 -36.08 72.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.44 -40.65 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.424 1.09 . . . . 0.0 111.678 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.18 -50.47 10.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.991 0.814 . . . . 0.0 112.855 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -82.36 -19.68 38.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.945 1.298 . . . . 0.0 113.396 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.31 4.11 88.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.249 1.404 . . . . 0.0 114.799 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.88 148.49 25.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.07 1.348 . . . . 0.0 111.202 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.52 151.2 47.77 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -41.89 70.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.411 2.284 . . . . 0.0 113.859 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.29 -21.78 66.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.172 -0.955 . . . . 0.0 113.332 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.84 -44.96 11.17 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.143 0.878 . . . . 0.0 111.138 170.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -44.54 94.88 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.165 0.986 . . . . 0.0 111.524 174.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.35 -41.59 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 118.731 0.696 . . . . 0.0 111.935 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.27 -44.97 32.64 Favored Glycine 0 N--CA 1.469 0.858 0 CA-C-N 118.702 0.683 . . . . 0.0 113.927 -172.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.21 -19.05 61.18 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.471 1.135 . . . . 0.0 112.889 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.92 -26.58 66.92 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.978 0.911 . . . . 0.0 112.284 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.55 -43.64 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.321 1.048 . . . . 0.0 110.738 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 -11.31 54.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.714 1.206 . . . . 0.0 113.725 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -94.43 -65.99 0.95 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.255 1.022 . . . . 0.0 110.741 166.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.0 m -74.93 -38.88 61.66 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -164.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -77.95 -40.81 38.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.053 0.541 . . . . 0.0 110.415 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.0 m -63.81 -41.54 97.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 p -86.87 -7.93 57.75 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 m80 68.74 49.99 0.67 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.95 2.1 . . . . 0.0 112.252 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -70.22 161.19 30.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.583 1.153 . . . . 0.0 113.166 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.28 -17.19 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.57 -149.28 14.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.376 0.989 . . . . 0.0 113.14 -171.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.0 mt -129.34 142.36 50.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.081 1.752 . . . . 0.0 109.962 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -148.54 166.07 29.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.068 1.747 . . . . 0.0 110.342 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 p -57.0 -28.45 62.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -75.17 -40.91 59.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 111.778 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -68.58 -41.37 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.175 -0.953 . . . . 0.0 110.918 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.9 -24.47 55.63 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.461 1.028 . . . . 0.0 113.042 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -66.71 -43.55 84.02 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.336 0.971 . . . . 0.0 111.162 164.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -66.35 -31.42 72.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.258 -0.901 . . . . 0.0 112.641 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.35 -33.23 70.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.473 1.109 . . . . 0.0 112.964 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.82 -45.41 92.72 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.58 0.627 . . . . 0.0 110.807 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.48 -31.72 71.21 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.099 -1.001 . . . . 0.0 112.659 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -71.3 -25.78 62.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.544 1.138 . . . . 0.0 113.735 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -150.36 -48.42 0.13 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.2 -43.61 77.68 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.854 1.206 . . . . 0.0 112.451 -173.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -67.95 -22.28 65.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.095 0.958 . . . . 0.0 112.902 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.7 mttt . . . . . 0 CA--C 1.546 0.796 0 O-C-N 120.854 -1.154 . . . . 0.0 112.854 171.188 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.49 74.05 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.361 -0.837 . . . . 0.0 112.226 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -67.45 -29.25 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.22 1.008 . . . . 0.0 112.092 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.04 -56.91 4.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.875 0.87 . . . . 0.0 110.653 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.34 -33.66 76.36 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.29 -21.5 65.28 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -69.27 -26.84 64.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.03 0.832 . . . . 0.0 112.466 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.65 -35.27 24.71 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.964 0.802 . . . . 0.0 111.827 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.0 -36.09 67.52 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.443 1.019 . . . . 0.0 112.275 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -68.68 -17.68 64.13 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.193 1.397 . . . . 0.0 113.8 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -81.06 -41.82 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.307 0.958 . . . . 0.0 110.84 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -87.03 -13.28 44.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.575 1.15 . . . . 0.0 113.672 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.89 27.93 48.22 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.491 1.043 . . . . 0.0 113.38 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -77.77 101.38 6.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.313 1.445 . . . . 0.0 110.768 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -83.5 46.92 1.2 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.683 1.593 . . . . 0.0 112.167 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.05 143.55 54.26 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.718 1.207 . . . . 0.0 112.369 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.33 154.79 32.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.562 0.745 . . . . 0.0 111.058 167.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.85 -33.32 55.97 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.299 1.04 . . . . 0.0 112.893 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.84 70.17 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.56 -33.72 21.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.501 0.721 . . . . 0.0 111.477 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.03 -46.15 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.038 1.29 . . . . 0.0 109.99 173.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -56.3 -34.62 66.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.637 0.775 . . . . 0.0 112.346 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -65.96 -34.47 78.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.577 1.08 . . . . 0.0 112.911 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.89 -40.36 40.12 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.624 1.102 . . . . 0.0 111.54 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.28 -37.95 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.168 0.587 . . . . 0.0 111.465 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.03 -38.44 70.55 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.083 0.953 . . . . 0.0 112.005 173.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.26 -44.3 92.16 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.036 0.834 . . . . 0.0 110.802 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.13 -34.34 76.18 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.683 0.793 . . . . 0.0 112.278 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.53 -42.12 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.787 1.235 . . . . 0.0 111.515 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -75.71 -50.27 15.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.916 1.286 . . . . 0.0 112.361 -175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -85.33 -23.4 28.09 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.725 1.21 . . . . 0.0 113.373 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 7.6 82.91 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.606 1.098 . . . . 0.0 114.081 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -93.56 147.12 23.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.574 1.55 . . . . 0.0 110.643 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -68.35 147.22 52.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -27.96 53.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.171 1.788 . . . . 0.0 115.447 -174.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.75 -31.2 62.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.133 0.973 . . . . 0.0 113.366 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.84 -25.56 60.02 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.013 0.816 . . . . 0.0 112.964 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -82.88 -52.67 6.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.252 . . . . 0.0 110.884 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -74.58 -41.83 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 112.014 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.35 34.59 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 121.726 -0.609 . . . . 0.0 113.242 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -79.91 -19.17 48.76 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.859 0.83 . . . . 0.0 112.828 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.67 -32.49 73.57 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.055 0.942 . . . . 0.0 112.032 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -46.78 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.391 1.077 . . . . 0.0 111.245 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -33.63 75.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.482 1.113 . . . . 0.0 113.098 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -67.3 -50.04 61.81 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.698 0.799 . . . . 0.0 110.78 173.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.0 m -63.37 -39.1 93.61 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.004 0.922 . . . . 0.0 113.337 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.5 p -71.16 -45.71 62.93 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.507 1.048 . . . . 0.0 112.636 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -64.59 -32.37 73.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.7 p -90.53 -26.67 19.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.418 1.087 . . . . 0.0 113.139 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 71.89 32.11 1.94 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.904 2.082 . . . . 0.0 112.514 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.62 154.55 40.24 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.551 -1.343 . . . . 0.0 113.378 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -76.47 -6.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.82 -163.43 36.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.436 1.493 . . . . 0.0 112.747 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.2 mt -111.81 139.57 47.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.033 1.333 . . . . 0.0 111.369 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -146.61 162.44 38.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.89 2.476 . . . . 0.0 108.853 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 m -55.83 -30.63 61.74 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.84 -32.88 73.72 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.707 1.203 . . . . 0.0 112.505 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.8 mt -76.59 -40.65 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.096 0.958 . . . . 0.0 109.728 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.15 -29.83 64.43 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.691 0.678 . . . . 0.0 112.3 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.51 -45.86 85.43 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.786 0.721 . . . . 0.0 111.176 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -64.33 -34.85 79.09 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.322 -0.861 . . . . 0.0 112.976 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.53 -28.13 65.16 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -56.71 -38.79 72.8 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.415 0.686 . . . . 0.0 112.367 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -88.94 -13.88 37.97 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.794 1.238 . . . . 0.0 112.781 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -88.84 -20.47 24.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.85 1.26 . . . . 0.0 112.979 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -151.32 -43.96 0.11 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.37 -37.57 83.41 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.617 1.099 . . . . 0.0 113.345 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.7 p -71.15 -19.55 62.41 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 124.702 1.201 . . . . 0.0 113.468 -178.361 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -25.79 67.12 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -60.5 -29.8 69.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.077 1.351 . . . . 0.0 112.097 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.51 -32.2 69.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.869 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.72 -40.68 24.91 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.105 0.962 . . . . 0.0 111.0 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.94 67.91 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.273 1.029 . . . . 0.0 113.601 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.68 -29.66 70.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.127 0.971 . . . . 0.0 113.278 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -75.19 -36.66 61.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.398 0.999 . . . . 0.0 112.022 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.4 mt -56.57 -36.08 68.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.917 1.287 . . . . 0.0 112.36 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.79 -14.7 59.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.313 1.045 . . . . 0.0 113.135 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.48 -42.46 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.499 1.045 . . . . 0.0 109.483 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -88.21 -17.94 29.75 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.0 26.38 41.31 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.707 1.146 . . . . 0.0 113.722 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.91 147.32 45.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.888 1.275 . . . . 0.0 111.741 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -105.6 8.93 33.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.749 1.62 . . . . 0.0 113.649 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.3 125.51 23.11 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.844 1.258 . . . . 0.0 112.898 -172.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.81 169.5 18.19 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.182 1.393 . . . . 0.0 112.308 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.42 -37.82 57.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.185 0.994 . . . . 0.0 112.905 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.58 63.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 113.589 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.36 -40.08 11.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.219 1.008 . . . . 0.0 110.862 168.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.92 -47.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.356 1.062 . . . . 0.0 111.322 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.85 -30.17 68.78 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -72.74 -30.36 64.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.979 -1.076 . . . . 0.0 113.14 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.13 -38.89 30.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.83 1.196 . . . . 0.0 111.623 170.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.23 -36.95 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.569 0.748 . . . . 0.0 111.013 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -54.46 -45.39 73.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.125 0.97 . . . . 0.0 111.59 171.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.92 -40.9 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.933 0.788 . . . . 0.0 111.343 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.56 -22.4 65.14 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.812 1.245 . . . . 0.0 114.243 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.11 -42.47 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.658 1.183 . . . . 0.0 111.187 173.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -73.03 -43.8 61.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.659 1.184 . . . . 0.0 113.164 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.24 -20.09 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.346 1.458 . . . . 0.0 113.615 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.98 -0.34 66.83 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.244 1.402 . . . . 0.0 114.781 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -82.21 144.54 30.61 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.101 1.36 . . . . 0.0 110.429 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -73.26 161.62 30.31 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -40.41 61.65 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.836 2.054 . . . . 0.0 115.48 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -37.61 81.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.824 0.849 . . . . 0.0 111.161 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.58 -13.64 71.54 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.816 1.198 . . . . 0.0 113.717 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 mmt -92.91 -54.55 3.7 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.318 1.047 . . . . 0.0 110.698 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.41 -39.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.273 1.029 . . . . 0.0 112.07 -171.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -42.09 54.17 Favored Glycine 0 N--CA 1.472 1.05 0 O-C-N 121.465 -0.772 . . . . 0.0 113.338 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.33 -25.6 59.65 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.789 0.836 . . . . 0.0 112.732 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.51 -35.31 80.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.402 -0.811 . . . . 0.0 112.229 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.1 mt -63.62 -45.2 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.286 1.034 . . . . 0.0 110.18 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.44 96.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.012 0.925 . . . . 0.0 111.918 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.7 -48.05 82.52 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.355 0.662 . . . . 0.0 111.942 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.25 -41.8 93.98 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.447 1.099 . . . . 0.0 112.394 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -73.95 -56.17 5.28 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.47 1.508 . . . . 0.0 112.037 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -71.57 -28.28 63.73 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 p -93.78 -9.62 36.89 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.76 0.824 . . . . 0.0 113.104 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.9 t60 72.96 47.5 0.2 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.985 2.114 . . . . 0.0 112.775 168.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.08 -39.28 65.98 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.837 -1.165 . . . . 0.0 113.004 -173.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t 62.71 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 127.502 2.321 . . . . 0.0 110.206 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.45 177.0 35.79 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.848 1.213 . . . . 0.0 113.867 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 mt -132.81 149.48 52.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.91 1.684 . . . . 0.0 111.345 -172.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.0 p -146.04 168.66 20.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.737 2.015 . . . . 0.0 110.094 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -61.71 -28.14 69.21 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -73.41 -37.92 65.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.636 1.174 . . . . 0.0 111.505 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.73 -40.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.13 -0.981 . . . . 0.0 110.452 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.72 -29.36 66.73 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.079 -1.013 . . . . 0.0 113.183 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -66.34 -29.93 70.22 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 118.955 0.798 . . . . 0.0 111.95 167.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 m -80.16 -29.76 38.82 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.764 -1.21 . . . . 0.0 112.869 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.12 -32.66 71.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.38 -34.73 77.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.202 -0.936 . . . . 0.0 112.171 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -79.74 -21.44 44.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.213 1.005 . . . . 0.0 112.846 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -77.36 -45.72 25.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.984 1.314 . . . . 0.0 112.16 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -129.6 -47.25 1.17 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -172.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.49 -41.8 83.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.324 0.965 . . . . 0.0 111.552 -171.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -68.2 -32.05 72.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttm . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -174.317 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 m . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.5 66.53 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.03 1.332 . . . . 0.0 114.578 -169.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -60.65 -27.84 68.11 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 112.832 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.69 -39.97 69.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.533 0.733 . . . . 0.0 111.12 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tt -77.9 -47.21 19.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.274 1.03 . . . . 0.0 110.298 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.65 -38.62 67.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.371 1.469 . . . . 0.0 113.676 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.21 -30.72 67.89 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.628 0.771 . . . . 0.0 112.801 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -72.73 -33.09 66.18 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.83 0.741 . . . . 0.0 112.601 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.2 mt -51.23 -49.2 61.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.081 1.352 . . . . 0.0 112.222 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.45 -22.47 64.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.797 0.839 . . . . 0.0 113.156 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.1 mt -66.85 -37.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 O-C-N 121.336 -0.852 . . . . 0.0 110.159 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.33 -3.51 57.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.345 1.458 . . . . 0.0 113.401 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.6 11.35 81.96 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.594 1.093 . . . . 0.0 114.58 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.34 162.9 25.28 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.763 1.225 . . . . 0.0 110.459 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -157.43 140.64 15.39 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.742 1.217 . . . . 0.0 111.179 171.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.4 m -143.28 151.26 40.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.363 1.865 . . . . 0.0 110.552 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -77.04 164.72 25.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.113 0.565 . . . . 0.0 111.136 163.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.7 -36.9 65.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.572 0.749 . . . . 0.0 112.171 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.23 65.84 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.95 -31.59 18.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.886 0.874 . . . . 0.0 111.836 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.44 -43.87 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.662 1.119 . . . . 0.0 110.221 169.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.34 -36.73 66.61 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.193 0.997 . . . . 0.0 112.083 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -63.59 -38.83 92.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.242 0.928 . . . . 0.0 112.2 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.19 -36.69 47.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.798 1.181 . . . . 0.0 111.596 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.107 0.867 . . . . 0.0 111.541 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.49 -43.42 84.1 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.655 -0.653 . . . . 0.0 111.302 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.37 -42.38 99.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.076 0.853 . . . . 0.0 111.34 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.13 -34.26 71.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.846 0.858 . . . . 0.0 112.474 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.71 -45.32 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.536 1.135 . . . . 0.0 111.648 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.84 -35.29 67.23 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.49 -18.85 18.77 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.755 1.222 . . . . 0.0 113.132 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 8.18 73.74 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.052 1.311 . . . . 0.0 114.532 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -94.94 153.47 17.65 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.746 1.618 . . . . 0.0 111.185 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.2 140.14 57.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.028 1.331 . . . . 0.0 112.732 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -61.1 -20.25 62.41 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.874 1.67 . . . . 0.0 114.601 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.78 -29.54 64.93 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.43 1.092 . . . . 0.0 112.218 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.25 -43.82 37.34 Favored Glycine 0 C--N 1.345 1.063 0 O-C-N 121.259 -0.901 . . . . 0.0 112.085 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -66.66 -39.69 88.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.209 1.404 . . . . 0.0 111.741 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.66 -40.65 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.512 1.125 . . . . 0.0 111.218 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.48 -49.65 6.58 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 124.401 1.0 . . . . 0.0 114.112 -170.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.53 -20.35 62.82 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.656 1.228 . . . . 0.0 112.751 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.31 -29.6 70.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 112.328 173.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.11 -48.78 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 0.0 110.11 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.07 86.62 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 111.607 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.12 -50.82 66.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.426 0.69 . . . . 0.0 111.312 174.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.4 m -63.71 -33.15 74.99 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.736 0.814 . . . . 0.0 112.845 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -68.24 -46.04 71.58 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 110.12 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -63.09 -42.94 99.71 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.309 1.044 . . . . 0.0 113.708 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.0 p -79.24 -17.02 55.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.062 0.945 . . . . 0.0 113.358 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . 0.291 9.2 p-80 61.23 10.29 2.94 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.929 2.892 . . . . 0.0 115.319 -176.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.49 126.19 28.86 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.421 -1.424 . . . . 0.0 110.876 170.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.84 -8.91 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 124.517 1.127 . . . . 0.0 113.742 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.83 158.82 14.46 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 125.562 1.553 . . . . 0.0 112.784 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.39 141.31 41.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.609 1.563 . . . . 0.0 111.083 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -143.56 161.27 38.91 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.622 1.969 . . . . 0.0 109.773 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.63 -31.24 62.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.989 0.915 . . . . 0.0 113.468 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.87 -35.79 79.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.946 0.898 . . . . 0.0 112.088 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.26 -41.75 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.036 0.934 . . . . 0.0 110.27 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.58 -25.54 63.11 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.946 0.794 . . . . 0.0 112.958 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -71.59 -46.42 59.35 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.07 0.85 . . . . 0.0 111.045 166.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.7 m -65.16 -28.16 69.22 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.923 -1.111 . . . . 0.0 112.973 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.22 -29.35 65.64 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.8 1.24 . . . . 0.0 113.608 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.17 -47.81 83.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.326 0.65 . . . . 0.0 110.878 171.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -72.98 -18.93 61.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.914 0.885 . . . . 0.0 112.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -82.81 -18.42 40.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.157 1.383 . . . . 0.0 113.585 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -154.87 -60.64 0.12 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.925 0.784 . . . . 0.0 113.014 -175.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.11 -40.65 94.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.678 0.672 . . . . 0.0 112.344 -168.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.6 m -78.2 -18.85 54.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.475 0.807 0 O-C-N 121.212 -0.93 . . . . 0.0 111.634 174.06 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 120.724 0.297 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -28.58 66.49 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.517 1.127 . . . . 0.0 113.6 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.14 -21.39 66.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.257 1.023 . . . . 0.0 113.649 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -82.76 -56.34 3.9 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.127 0.971 . . . . 0.0 109.764 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.46 -40.28 93.01 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.625 1.17 . . . . 0.0 111.873 -167.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -21.05 63.91 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.04 -33.76 72.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.368 -0.832 . . . . 0.0 111.58 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -77.51 -39.27 46.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.387 0.675 . . . . 0.0 111.622 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.33 -33.67 65.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.081 0.952 . . . . 0.0 112.795 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -73.62 -17.25 61.19 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.045 1.338 . . . . 0.0 113.455 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.8 mt -79.62 -44.95 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.388 0.994 . . . . 0.0 109.81 172.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.24 -10.89 51.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.025 1.33 . . . . 0.0 113.739 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 25.01 60.95 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.35 0.976 . . . . 0.0 113.299 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -77.02 107.0 9.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.55 1.14 . . . . 0.0 109.728 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.99 43.51 0.7 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.495 1.918 . . . . 0.0 113.624 -167.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.38 131.08 40.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.853 -1.154 . . . . 0.0 111.812 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.45 170.24 16.51 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.05 0.54 . . . . 0.0 111.153 160.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -49.29 -40.4 34.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.637 1.175 . . . . 0.0 113.862 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.29 64.14 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.23 -34.89 18.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.245 1.018 . . . . 0.0 111.7 172.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.52 -45.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.894 1.224 . . . . 0.0 110.666 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -57.25 -25.7 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -67.87 -42.76 80.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 120.097 1.317 . . . . 0.0 112.711 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.25 -36.59 77.29 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.258 0.936 . . . . 0.0 111.0 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.24 -42.27 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.005 0.522 . . . . 0.0 111.381 171.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.51 -47.34 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.918 0.887 . . . . 0.0 111.565 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.74 -43.41 69.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.16 0.891 . . . . 0.0 111.319 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.66 -25.57 68.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.8 t -87.71 -40.97 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.566 1.146 . . . . 0.0 111.037 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -74.72 -47.45 31.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.782 1.233 . . . . 0.0 112.136 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -93.67 -22.92 18.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.32 1.448 . . . . 0.0 113.229 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.97 70.64 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.275 1.417 . . . . 0.0 114.933 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -75.0 147.2 40.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.415 1.086 . . . . 0.0 110.571 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.76 149.2 49.29 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -48.33 -33.4 8.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.509 1.924 . . . . 0.0 115.209 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.71 -34.64 76.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.253 1.021 . . . . 0.0 112.092 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.69 -41.46 50.29 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 123.712 0.672 . . . . 0.0 111.936 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -62.7 -50.98 68.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.784 0.834 . . . . 0.0 111.232 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.08 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.388 0.675 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.11 35.48 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 118.54 0.609 . . . . 0.0 113.657 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -76.08 -23.62 55.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.259 1.03 . . . . 0.0 113.295 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.99 -34.18 77.81 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.671 0.789 . . . . 0.0 112.13 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.07 -45.35 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.027 0.931 . . . . 0.0 110.708 178.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.59 96.37 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.53 0.732 . . . . 0.0 111.843 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -67.47 -44.5 78.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.045 0.538 . . . . 0.0 112.382 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.02 -38.3 85.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.042 0.837 . . . . 0.0 112.436 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -65.85 -48.27 72.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.988 1.315 . . . . 0.0 111.001 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -72.26 -35.98 68.91 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -78.86 -26.78 44.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.434 0.694 . . . . 0.0 111.911 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 75.62 12.79 3.04 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.418 2.287 . . . . 0.0 114.45 162.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.47 151.56 45.91 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.039 -1.663 . . . . 0.0 112.654 173.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 71.5 t -81.81 123.19 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.119 0.967 . . . . 0.0 108.804 172.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.7 -162.62 53.68 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.405 1.002 . . . . 0.0 113.095 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.28 158.19 38.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.961 1.304 . . . . 0.0 111.961 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.4 p -137.93 164.85 27.98 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.487 1.915 . . . . 0.0 110.82 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -57.49 -28.54 63.5 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -73.94 -40.14 63.27 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.455 1.102 . . . . 0.0 111.95 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.01 -46.47 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.793 0.724 . . . . 0.0 110.37 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.56 -31.65 71.87 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.02 -46.62 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.039 0.836 . . . . 0.0 111.322 170.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.2 m -66.67 -30.79 71.14 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.342 -0.849 . . . . 0.0 113.115 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.6 -31.5 66.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.311 1.044 . . . . 0.0 113.578 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -57.07 -41.74 79.34 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.584 0.754 . . . . 0.0 111.524 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -85.29 -11.73 54.06 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.402 1.081 . . . . 0.0 112.717 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -95.09 -18.41 21.01 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.112 1.365 . . . . 0.0 113.666 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -147.72 -50.0 0.18 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.06 -66.33 0.56 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -73.01 -16.0 61.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.768 0.827 . . . . 0.0 112.769 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt . . . . . 0 CA--C 1.543 0.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.38 172.555 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 CA--C 1.544 0.739 0 CA-C-O 121.277 0.561 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.2 -33.24 67.29 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -68.14 -30.87 70.1 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.218 1.007 . . . . 0.0 112.481 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.0 -36.24 59.26 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.302 -0.874 . . . . 0.0 110.939 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.17 -43.61 73.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 110.301 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -33.96 74.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.947 0.899 . . . . 0.0 113.308 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -64.77 -35.38 80.9 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.624 -0.673 . . . . 0.0 111.603 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.76 -37.04 70.55 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.141 -0.974 . . . . 0.0 111.945 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -53.36 -42.4 66.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.474 1.034 . . . . 0.0 111.136 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.27 -28.18 69.16 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.045 0.938 . . . . 0.0 112.793 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.6 -39.49 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.2 -0.938 . . . . 0.0 111.682 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -85.48 -7.91 58.65 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.56 15.17 78.67 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.771 1.177 . . . . 0.0 114.06 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -76.95 164.4 25.82 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.712 1.605 . . . . 0.0 111.613 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.01 131.41 12.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.602 1.561 . . . . 0.0 110.048 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -138.46 149.72 45.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.672 1.589 . . . . 0.0 110.812 -175.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -74.84 163.94 27.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.23 0.612 . . . . 0.0 111.142 165.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -51.45 -40.71 59.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.446 1.099 . . . . 0.0 111.996 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.2 66.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -90.86 -33.57 15.61 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.143 0.977 . . . . 0.0 111.772 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.3 -47.5 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 120.661 -1.275 . . . . 0.0 109.794 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -56.94 -34.77 68.34 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.305 1.042 . . . . 0.0 112.431 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.71 -44.26 96.67 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.939 1.245 . . . . 0.0 112.477 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.03 -35.18 59.6 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.249 0.931 . . . . 0.0 112.168 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.31 -41.51 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 118.838 0.744 . . . . 0.0 110.95 171.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.64 -38.01 77.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.638 0.775 . . . . 0.0 111.842 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.19 -45.8 90.04 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.559 1.072 . . . . 0.0 110.583 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.07 -39.67 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.434 0.694 . . . . 0.0 111.791 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.02 -42.05 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.356 1.462 . . . . 0.0 112.026 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.37 -51.46 13.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.079 0.952 . . . . 0.0 112.49 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -85.57 -20.28 29.81 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.47 1.108 . . . . 0.0 113.559 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 27.56 73.6 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 123.709 0.671 . . . . 0.0 112.905 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -105.97 146.4 30.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.154 1.782 . . . . 0.0 108.685 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -68.02 158.51 32.73 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.207 1.003 . . . . 0.0 113.663 -173.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.74 -32.64 73.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.128 1.771 . . . . 0.0 113.369 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.21 -29.51 70.33 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.349 -0.844 . . . . 0.0 112.634 172.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 -15.71 81.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.833 1.206 . . . . 0.0 112.895 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 mmt -87.6 -63.77 1.25 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.235 1.018 . . . . 0.0 110.255 165.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.05 -36.64 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.992 1.317 . . . . 0.0 112.882 -166.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.81 -39.9 19.3 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 118.6 0.636 . . . . 0.0 113.036 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -75.21 -26.75 59.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.54 0.736 . . . . 0.0 112.165 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.78 -31.06 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.336 1.055 . . . . 0.0 112.711 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.47 -45.92 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.098 0.959 . . . . 0.0 110.988 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.32 93.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.484 0.714 . . . . 0.0 111.803 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.49 -49.12 72.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.897 0.879 . . . . 0.0 112.04 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.1 -36.1 80.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -69.38 -48.85 59.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.666 1.186 . . . . 0.0 110.998 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.5 p -69.57 -33.17 72.35 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -81.77 -24.56 35.93 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.256 1.022 . . . . 0.0 112.919 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 79.63 24.62 0.44 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.117 2.567 . . . . 0.0 112.413 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.21 148.18 45.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.476 1.11 . . . . 0.0 112.638 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.43 123.73 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.489 1.516 . . . . 0.0 108.289 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 174.05 43.46 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.1 0.857 . . . . 0.0 113.481 -174.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 mp -134.65 158.34 44.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.569 1.547 . . . . 0.0 110.298 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -173.64 171.78 3.76 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.794 2.838 . . . . 0.0 108.071 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.2 p -54.76 -31.16 58.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.69 -31.06 72.11 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.304 1.042 . . . . 0.0 113.132 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.9 -49.45 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.054 0.941 . . . . 0.0 108.863 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.19 -30.85 68.07 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.73 -32.07 71.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.558 0.743 . . . . 0.0 112.212 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 m -74.12 -34.67 63.98 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.068 -1.02 . . . . 0.0 111.903 172.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -62.08 -31.32 71.74 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.874 -1.141 . . . . 0.0 113.604 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.57 -49.14 77.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.599 0.76 . . . . 0.0 111.266 169.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.5 -23.48 60.04 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.691 1.196 . . . . 0.0 112.903 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -74.71 -24.99 58.84 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.776 1.63 . . . . 0.0 113.286 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -152.68 -50.77 0.1 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -169.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.68 -44.54 49.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.819 0.736 . . . . 0.0 112.099 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -72.48 -38.73 68.11 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 -169.65 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.18 83.52 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.861 0.865 . . . . 0.0 112.378 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.62 -32.45 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.934 0.894 . . . . 0.0 111.489 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -72.44 -44.74 61.97 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.053 0.541 . . . . 0.0 110.709 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.09 -39.87 95.0 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.717 0.69 . . . . 0.0 112.141 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.6 -22.45 63.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -66.6 -26.48 67.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.552 0.741 . . . . 0.0 112.601 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.9 -39.86 17.71 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.954 0.902 . . . . 0.0 112.535 172.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.9 -43.03 63.18 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.5 1.046 . . . . 0.0 112.674 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.85 -18.84 65.57 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.056 1.343 . . . . 0.0 114.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.98 -40.65 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.254 -0.904 . . . . 0.0 110.23 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.04 -6.48 59.32 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 113.4 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.55 74.11 Favored Glycine 0 N--CA 1.476 1.302 0 C-N-CA 124.582 1.087 . . . . 0.0 113.573 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.86 133.53 40.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.845 1.258 . . . . 0.0 110.553 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -114.41 121.76 44.55 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.147 1.379 . . . . 0.0 110.475 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -143.26 164.16 30.98 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.58 1.552 . . . . 0.0 111.542 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -108.64 168.95 8.97 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.304 1.442 . . . . 0.0 110.766 165.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -51.84 -39.92 59.67 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.504 1.122 . . . . 0.0 112.628 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.3 68.46 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.77 -35.56 22.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.442 0.697 . . . . 0.0 111.114 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.07 -43.46 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.454 1.101 . . . . 0.0 111.607 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.7 -37.43 65.81 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.382 0.673 . . . . 0.0 111.775 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -60.94 -30.51 70.27 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.19 -0.944 . . . . 0.0 113.404 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.99 -39.71 19.35 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.575 1.079 . . . . 0.0 111.842 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -58.4 -38.4 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 118.81 0.732 . . . . 0.0 110.953 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -56.92 -42.34 79.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.048 0.939 . . . . 0.0 112.29 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.73 -46.37 82.55 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.628 1.104 . . . . 0.0 110.776 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.6 m -56.28 -39.3 72.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.425 0.69 . . . . 0.0 112.026 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -79.86 -43.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.028 1.331 . . . . 0.0 111.914 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -69.9 -43.07 72.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.171 0.989 . . . . 0.0 111.827 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -89.83 -17.18 28.62 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.56 1.144 . . . . 0.0 113.014 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.17 53.38 9.18 Favored Glycine 0 C--N 1.343 0.961 0 C-N-CA 124.077 0.846 . . . . 0.0 111.234 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -142.76 150.75 40.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.502 1.121 . . . . 0.0 111.044 -161.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.02 138.34 42.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.137 0.975 . . . . 0.0 112.52 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -62.31 -20.23 64.12 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.104 1.761 . . . . 0.0 115.63 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.0 -32.58 71.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.289 0.949 . . . . 0.0 112.428 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.19 -44.57 43.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 121.642 -0.661 . . . . 0.0 111.859 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -62.66 -45.08 94.47 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 111.587 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.77 -42.73 47.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 118.559 0.618 . . . . 0.0 111.768 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.17 -48.12 54.89 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.687 0.676 . . . . 0.0 113.844 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.56 -21.07 59.7 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.08 -32.85 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.096 0.958 . . . . 0.0 112.218 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.5 -47.72 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.491 1.117 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.85 84.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.667 0.387 . . . . 0.0 111.615 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -64.33 -52.04 60.41 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.271 1.028 . . . . 0.0 112.052 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.0 p -72.37 -29.51 63.85 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -74.27 -46.47 41.2 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.381 174.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -67.38 -25.24 65.86 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -173.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -82.24 -19.57 39.39 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.534 1.134 . . . . 0.0 112.862 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 74.95 4.92 4.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.191 2.596 . . . . 0.0 113.896 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 135.82 54.75 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.525 -1.359 . . . . 0.0 110.982 174.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -76.61 138.81 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.773 0.829 . . . . 0.0 111.314 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.33 -162.17 53.25 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.666 0.65 . . . . 0.0 114.241 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 mt -136.97 142.52 42.6 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.722 1.609 . . . . 0.0 110.456 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.3 p -142.67 157.4 44.72 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.872 2.069 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -54.11 -30.41 48.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -170.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.13 -37.58 87.9 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 112.429 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.41 -45.56 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.205 1.002 . . . . 0.0 109.953 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.68 -30.47 70.73 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.764 -0.585 . . . . 0.0 112.572 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -72.41 -42.24 65.35 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.675 0.671 . . . . 0.0 112.185 172.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.6 m -64.06 -33.45 75.79 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.443 -0.786 . . . . 0.0 112.424 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -54.58 -27.26 37.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.77 -34.05 71.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.573 0.749 . . . . 0.0 112.452 174.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -80.15 -29.05 38.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.959 0.903 . . . . 0.0 112.642 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -78.66 -17.64 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -149.11 -48.14 0.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.5 -44.79 56.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -168.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.4 p -66.13 -23.5 66.5 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 124.849 1.26 . . . . 0.0 111.65 173.176 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 122.263 1.03 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.67 66.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.43 1.092 . . . . 0.0 112.035 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.39 -25.98 67.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.668 1.187 . . . . 0.0 112.749 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -90.97 -41.22 11.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.915 0.886 . . . . 0.0 111.358 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.83 -43.02 80.53 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.683 0.793 . . . . 0.0 112.397 -176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -25.84 67.65 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.67 -30.58 70.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.12 0.968 . . . . 0.0 112.806 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -72.21 -27.79 62.76 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.52 -35.59 70.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.851 1.26 . . . . 0.0 112.809 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -67.81 -23.01 65.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.446 1.099 . . . . 0.0 113.071 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.83 -39.3 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.05 0.94 . . . . 0.0 110.138 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -89.33 -9.87 48.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.505 1.522 . . . . 0.0 113.593 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 18.57 71.93 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.369 0.985 . . . . 0.0 113.952 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.5 163.38 22.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.956 1.703 . . . . 0.0 111.96 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -156.87 136.53 12.36 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.574 1.549 . . . . 0.0 110.716 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -154.99 156.36 35.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.629 1.972 . . . . 0.0 110.811 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -80.86 163.32 23.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 164.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.85 -39.48 62.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.969 0.908 . . . . 0.0 112.399 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.36 67.77 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -88.52 -35.08 17.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 0.0 111.758 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -61.25 -42.1 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.234 1.014 . . . . 0.0 110.692 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.88 -30.25 61.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.871 0.869 . . . . 0.0 113.308 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.67 -52.46 65.36 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.358 1.436 . . . . 0.0 111.156 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 27' ' ' LEU . 1.9 mm? -65.07 -31.45 72.67 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.662 0.664 . . . . 0.0 111.356 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.68 -41.56 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.56 171.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -57.49 -46.29 83.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.778 1.172 . . . . 0.0 111.126 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.19 -49.7 68.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.664 0.666 . . . . 0.0 112.407 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 p -63.63 -30.14 71.29 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.259 0.936 . . . . 0.0 113.145 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.28 -42.1 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.666 1.186 . . . . 0.0 111.621 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.5 -50.28 18.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.578 0.751 . . . . 0.0 112.386 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.51 -16.48 42.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.54 1.136 . . . . 0.0 113.448 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.59 3.75 83.69 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.846 1.212 . . . . 0.0 114.236 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -74.08 133.26 42.87 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 109.611 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.01 139.29 56.32 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.627 -0.67 . . . . 0.0 110.979 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -24.66 63.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -153.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -64.62 -27.23 68.8 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.542 1.064 . . . . 0.0 112.271 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.45 -36.52 38.55 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.435 1.016 . . . . 0.0 111.467 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.8 tpp -66.34 -45.23 80.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.412 1.106 . . . . 0.0 111.139 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.31 -39.26 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.805 1.242 . . . . 0.0 111.508 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.24 -40.09 50.5 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.139 0.876 . . . . 0.0 113.684 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.91 -32.2 73.8 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.679 1.24 . . . . 0.0 112.425 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.42 -31.71 70.66 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.728 1.211 . . . . 0.0 113.264 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.83 -42.61 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.495 1.118 . . . . 0.0 111.368 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.26 82.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.886 0.874 . . . . 0.0 112.199 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.53 -50.65 66.52 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.803 0.841 . . . . 0.0 111.151 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.71 -35.23 79.07 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.656 0.782 . . . . 0.0 113.071 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.5 m -65.65 -42.48 91.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.224 1.01 . . . . 0.0 110.949 174.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -68.34 -36.33 79.09 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -82.8 -27.18 31.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.115 0.87 . . . . 0.0 112.873 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 80.38 -1.93 1.94 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.55 2.74 . . . . 0.0 112.954 174.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -70.98 142.59 50.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.06 -1.65 . . . . 0.0 111.725 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.5 t -90.06 137.52 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.194 1.397 . . . . 0.0 110.373 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.37 -172.58 53.84 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.293 0.949 . . . . 0.0 114.046 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 mt -135.17 153.52 51.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.197 1.799 . . . . 0.0 110.979 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -170.8 161.31 7.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.746 2.018 . . . . 0.0 109.756 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -58.41 -28.07 64.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.591 1.157 . . . . 0.0 113.66 -171.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.62 -36.25 80.47 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.943 0.897 . . . . 0.0 111.889 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.7 mt -78.32 -41.18 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.425 1.09 . . . . 0.0 109.935 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.52 -35.58 81.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -69.52 -44.97 69.92 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.485 0.584 . . . . 0.0 112.25 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 p -72.62 -25.52 61.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.158 -0.963 . . . . 0.0 113.449 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -60.82 -35.39 76.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.166 -0.959 . . . . 0.0 113.345 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.37 -37.11 77.07 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.614 -0.679 . . . . 0.0 112.107 170.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -88.78 -19.27 26.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -171.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -17.29 51.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -158.69 -46.39 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.2 -48.04 74.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.612 1.096 . . . . 0.0 112.195 -170.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -68.47 -17.35 64.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.45 1.1 . . . . 0.0 113.227 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 CA--C 1.552 1.056 0 O-C-N 120.809 -1.182 . . . . 0.0 113.05 172.269 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.934 0.873 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.68 96.98 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.961 0.904 . . . . 0.0 111.81 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.21 -38.72 92.04 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.84 0.856 . . . . 0.0 111.608 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.574 0.749 . . . . 0.0 111.884 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.4 -42.44 92.57 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.575 0.75 . . . . 0.0 111.133 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.37 -26.59 66.55 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.51 -42.22 95.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.966 0.803 . . . . 0.0 110.748 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.21 -37.07 80.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.425 -0.798 . . . . 0.0 112.73 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.52 -50.75 62.22 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.581 1.082 . . . . 0.0 110.866 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -69.56 -24.5 63.72 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.049 0.94 . . . . 0.0 113.338 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.1 -38.44 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 119.88 1.218 . . . . 0.0 111.419 171.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -87.21 -2.52 58.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.603 1.161 . . . . 0.0 113.62 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 11.08 67.35 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.634 1.588 . . . . 0.0 114.916 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp -79.08 152.56 30.77 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 109.987 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -148.44 134.92 19.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.956 1.303 . . . . 0.0 111.061 -175.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 m -148.48 161.76 40.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.735 1.614 . . . . 0.0 112.49 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -88.38 162.92 16.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.33 1.052 . . . . 0.0 110.887 159.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.42 -35.47 60.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.612 1.165 . . . . 0.0 112.759 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.18 -24.52 64.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.238 1.015 . . . . 0.0 113.368 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -87.8 -34.05 18.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.609 0.764 . . . . 0.0 111.99 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.88 -45.0 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.064 0.946 . . . . 0.0 111.297 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.69 -26.89 67.45 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.9 -41.65 92.1 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.047 -1.033 . . . . 0.0 111.883 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -35.33 66.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.277 0.631 . . . . 0.0 111.939 176.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.76 -42.77 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.354 0.525 . . . . 0.0 110.485 172.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.95 -32.76 73.22 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.825 0.739 . . . . 0.0 112.891 173.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.21 -48.85 71.93 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.433 1.47 . . . . 0.0 110.4 171.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.19 -40.68 67.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 111.859 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.71 -43.24 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 111.901 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.61 -42.99 63.89 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.164 0.893 . . . . 0.0 112.475 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -85.23 -15.34 43.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.201 1.0 . . . . 0.0 113.326 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 46.73 40.54 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.478 1.037 . . . . 0.0 111.309 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -134.22 157.55 45.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.196 1.398 . . . . 0.0 111.174 -164.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -67.62 149.25 50.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.576 1.55 . . . . 0.0 111.807 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -31.27 72.38 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.367 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.34 -21.38 66.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.38 1.072 . . . . 0.0 113.113 175.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.68 -50.56 5.23 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.251 0.929 . . . . 0.0 111.28 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -36.38 83.93 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.778 1.231 . . . . 0.0 112.061 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.67 -45.76 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.735 0.814 . . . . 0.0 110.935 170.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.56 97.41 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.001 0.819 . . . . 0.0 114.086 -171.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -72.84 -25.88 61.27 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.241 1.021 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.56 -30.68 68.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.89 -48.36 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 118.65 0.659 . . . . 0.0 110.407 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.58 88.98 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.585 0.754 . . . . 0.0 111.866 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -65.29 -46.23 81.26 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.029 0.532 . . . . 0.0 111.47 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.1 m -62.17 -41.58 98.45 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.443 -0.786 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -66.47 -49.39 66.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.579 1.152 . . . . 0.0 111.339 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -69.57 -30.17 67.88 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.4 p -82.88 -22.89 33.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.681 0.793 . . . . 0.0 112.728 172.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 79.56 -0.66 2.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 128.207 2.603 . . . . 0.0 113.135 173.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -72.36 117.98 14.68 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.268 -1.52 . . . . 0.0 111.241 175.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.11 143.76 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.821 0.848 . . . . 0.0 110.355 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 -173.36 55.05 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.766 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -144.06 160.38 40.98 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.9 1.68 . . . . 0.0 111.919 -172.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -173.12 156.39 3.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.684 2.394 . . . . 0.0 109.137 -172.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.57 -31.07 61.87 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -165.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.14 -34.03 77.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.245 1.018 . . . . 0.0 112.291 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.04 -45.04 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.696 0.798 . . . . 0.0 109.625 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.4 -30.01 68.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.072 0.851 . . . . 0.0 113.041 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -65.64 -47.65 74.85 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.432 0.693 . . . . 0.0 111.373 168.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.4 m -64.7 -34.14 77.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.136 -0.978 . . . . 0.0 113.074 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.03 -31.96 67.5 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.139 1.375 . . . . 0.0 113.564 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -40.79 94.22 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.757 0.708 . . . . 0.0 111.795 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -80.61 -21.52 41.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.002 0.921 . . . . 0.0 113.072 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -72.51 -27.44 62.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.579 1.152 . . . . 0.0 112.854 -177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -156.02 -44.27 0.08 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.42 -37.72 85.85 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.192 0.906 . . . . 0.0 113.268 -167.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.8 p -73.16 -18.98 61.21 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 N--CA 1.471 0.583 0 C-N-CA 124.341 1.056 . . . . 0.0 113.248 -174.908 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.68 67.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -174.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.11 -24.49 65.03 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.977 0.911 . . . . 0.0 112.839 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -84.17 -43.76 14.64 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.472 -0.768 . . . . 0.0 110.457 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.94 -45.46 81.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.554 0.742 . . . . 0.0 111.373 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -26.25 68.35 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.15 -35.45 78.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.166 0.586 . . . . 0.0 111.309 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -72.59 -35.47 67.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.478 0.711 . . . . 0.0 112.592 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -52.26 -41.77 63.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.835 0.854 . . . . 0.0 111.965 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.83 -16.27 61.6 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -75.34 -41.01 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.256 0.935 . . . . 0.0 110.882 174.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -84.19 -14.76 49.23 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.811 1.245 . . . . 0.0 113.606 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.94 58.41 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.689 1.137 . . . . 0.0 113.704 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.14 143.34 48.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.807 1.243 . . . . 0.0 110.119 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -125.56 121.95 35.12 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.275 1.43 . . . . 0.0 110.439 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 m -144.11 141.82 30.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.642 1.577 . . . . 0.0 110.603 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.67 167.43 21.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.664 0.785 . . . . 0.0 110.792 164.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -53.99 -37.48 64.05 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.771 -0.581 . . . . 0.0 112.554 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -25.11 65.24 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -89.46 -32.13 17.37 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.186 0.994 . . . . 0.0 111.871 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.04 -46.98 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.049 1.295 . . . . 0.0 109.705 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.37 -32.64 68.76 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.606 0.762 . . . . 0.0 112.362 171.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -65.25 -36.49 84.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 120.038 1.29 . . . . 0.0 113.045 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.79 -38.23 47.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.873 1.215 . . . . 0.0 111.884 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.25 -38.72 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.933 0.788 . . . . 0.0 111.232 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.92 -48.85 66.97 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.761 1.225 . . . . 0.0 111.272 172.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.02 -44.01 94.89 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.766 0.712 . . . . 0.0 111.421 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.3 m -60.83 -28.71 69.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.138 0.975 . . . . 0.0 113.17 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -88.93 -39.21 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.134 1.373 . . . . 0.0 111.579 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.77 -50.84 18.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.726 1.21 . . . . 0.0 112.199 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -90.78 -21.48 21.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.839 1.656 . . . . 0.0 113.603 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.5 12.06 82.46 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.686 1.136 . . . . 0.0 115.055 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -91.15 2.21 56.51 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.48 1.14 . . . . 0.0 113.549 -169.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 72.75 163.84 0.28 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.44 2.296 . . . . 0.0 114.69 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.207 1.803 . . . . 0.0 113.499 -174.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.85 -31.03 71.37 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.847 0.748 . . . . 0.0 112.15 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.61 -12.91 74.31 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.704 1.145 . . . . 0.0 113.562 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 mmt -97.44 -59.45 1.78 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.7 1.25 . . . . 0.0 111.121 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.99 -38.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.197 1.399 . . . . 0.0 112.181 -166.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -25.7 60.44 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 118.458 0.572 . . . . 0.0 113.571 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.67 -27.91 22.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.465 1.106 . . . . 0.0 112.329 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.85 -28.93 67.93 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.98 1.312 . . . . 0.0 112.48 172.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.78 -40.54 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.028 0.931 . . . . 0.0 111.644 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.01 93.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.277 0.631 . . . . 0.0 111.338 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.62 -46.83 71.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.96 0.504 . . . . 0.0 111.224 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.14 -39.02 81.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.006 0.923 . . . . 0.0 112.904 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.75 -42.23 74.16 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.015 1.326 . . . . 0.0 110.978 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.2 t -64.86 -44.84 88.42 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.113 0.965 . . . . 0.0 113.452 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 t -74.66 -26.87 60.15 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.261 0.624 . . . . 0.0 112.016 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 80.31 42.45 0.06 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.121 2.568 . . . . 0.0 112.073 164.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.43 165.0 15.52 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.395 1.478 . . . . 0.0 112.857 -172.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 m -120.45 144.57 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.879 1.672 . . . . 0.0 110.101 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.84 163.59 27.62 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.465 1.031 . . . . 0.0 112.557 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.1 164.7 26.44 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.919 1.288 . . . . 0.0 111.397 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 t -173.06 158.21 3.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.226 2.21 . . . . 0.0 109.051 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -53.53 -29.33 36.18 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.186 1.394 . . . . 0.0 113.874 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.1 -30.59 71.72 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.839 0.856 . . . . 0.0 112.659 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -84.18 -51.73 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.404 1.082 . . . . 0.0 110.095 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.16 -28.53 68.85 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.73 -41.1 72.3 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.289 0.95 . . . . 0.0 111.76 170.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.7 m -70.52 -28.2 64.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.654 0.782 . . . . 0.0 113.074 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.87 -29.66 67.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.331 1.052 . . . . 0.0 113.193 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.7 -44.8 85.05 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.776 -0.578 . . . . 0.0 111.466 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.54 -36.54 78.96 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.518 -0.739 . . . . 0.0 112.257 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -65.82 -28.6 69.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.483 1.513 . . . . 0.0 113.509 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -148.49 -59.76 0.24 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -170.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.62 -45.46 90.18 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.075 0.852 . . . . 0.0 112.658 -169.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.1 t -64.43 -32.3 73.87 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.28 1.032 . . . . 0.0 112.386 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 mttm . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.642 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 121.625 0.726 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.28 71.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.731 0.813 . . . . 0.0 112.313 173.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -73.7 -37.93 65.01 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.765 0.826 . . . . 0.0 112.193 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -66.76 -39.42 87.87 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.057 0.389 . . . . 0.0 110.699 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.49 -52.88 61.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.991 0.916 . . . . 0.0 110.54 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.5 70.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.528 1.131 . . . . 0.0 113.369 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -63.57 -38.71 92.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.572 0.624 . . . . 0.0 112.074 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -65.73 -36.21 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.308 -0.87 . . . . 0.0 111.412 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.61 -30.24 68.55 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.255 -0.903 . . . . 0.0 112.831 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.52 -22.23 61.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.704 0.801 . . . . 0.0 113.127 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -77.81 -44.87 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.875 0.87 . . . . 0.0 110.496 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.02 -1.27 40.15 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.579 1.152 . . . . 0.0 113.866 -171.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.97 25.3 62.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.465 1.031 . . . . 0.0 114.336 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -79.97 102.33 9.17 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.065 1.346 . . . . 0.0 109.581 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.61 73.15 10.6 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.316 1.046 . . . . 0.0 111.711 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -85.24 159.41 20.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.84 1.656 . . . . 0.0 111.94 167.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.18 169.88 9.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.764 1.226 . . . . 0.0 110.743 159.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.27 -35.87 67.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.024 0.929 . . . . 0.0 112.577 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.05 68.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.7 -32.4 21.95 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.081 0.952 . . . . 0.0 111.856 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.9 -47.57 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.093 1.315 . . . . 0.0 110.311 168.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.28 -34.94 71.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.367 0.667 . . . . 0.0 112.02 171.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -64.94 -30.21 71.19 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.907 -1.121 . . . . 0.0 113.868 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.32 -36.43 26.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.299 1.408 . . . . 0.0 112.146 170.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.9 -37.38 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.496 1.044 . . . . 0.0 111.367 170.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.69 -45.32 77.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.98 0.912 . . . . 0.0 111.677 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.19 -41.93 96.88 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.953 0.797 . . . . 0.0 110.962 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.2 m -57.09 -41.96 79.87 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.096 0.958 . . . . 0.0 111.762 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.15 -40.48 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.081 1.352 . . . . 0.0 111.58 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.94 -47.11 63.64 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.416 1.087 . . . . 0.0 112.605 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -94.52 -9.1 36.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.067 1.347 . . . . 0.0 114.337 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 32.48 69.4 Favored Glycine 0 N--CA 1.476 1.327 0 CA-C-N 119.158 0.89 . . . . 0.0 112.823 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -124.28 154.75 39.78 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.509 1.924 . . . . 0.0 109.969 -171.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.82 157.72 35.9 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.425 1.107 . . . . 0.0 113.869 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -62.32 -38.43 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.515 1.926 . . . . 0.0 112.106 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.36 -29.44 70.51 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.803 0.841 . . . . 0.0 111.788 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.07 -34.86 61.34 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.677 1.132 . . . . 0.0 112.551 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.5 mmt -71.49 -55.34 8.07 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 117.683 0.742 . . . . 0.0 110.947 170.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.35 -37.26 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.508 0.723 . . . . 0.0 111.916 -175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.0 87.2 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.748 0.704 . . . . 0.0 114.101 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.15 -31.68 27.05 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.074 0.937 . . . . 0.0 111.836 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.18 -34.99 79.35 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.711 0.804 . . . . 0.0 112.647 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.14 -44.51 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.444 1.098 . . . . 0.0 111.414 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.475 0.58 . . . . 0.0 111.797 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -66.4 -49.68 66.0 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.055 0.542 . . . . 0.0 111.655 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.63 -32.49 72.63 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.37 -45.69 68.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 110.759 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -64.68 -42.4 95.38 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.017 0.927 . . . . 0.0 113.402 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.7 p -78.07 -25.19 47.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.148 0.979 . . . . 0.0 112.655 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 81.87 -2.85 1.56 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 129.415 3.086 . . . . 0.0 113.24 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -81.06 100.04 8.8 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.651 -1.281 . . . . 0.0 111.82 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.77 -14.5 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.406 1.082 . . . . 0.0 113.373 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.63 132.42 10.99 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.744 1.64 . . . . 0.0 110.854 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.4 161.41 14.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.283 1.033 . . . . 0.0 112.5 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.9 p -143.02 167.74 21.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.92 2.088 . . . . 0.0 109.748 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -60.3 -26.77 66.77 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -75.7 -40.66 55.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 111.595 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.47 -40.16 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.592 -0.693 . . . . 0.0 110.077 173.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.21 -38.09 75.21 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -58.47 -43.02 88.78 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.024 0.829 . . . . 0.0 111.593 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.8 m -67.71 -35.7 79.28 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 113.081 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.6 -34.5 77.96 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.687 1.13 . . . . 0.0 113.012 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.4 -42.13 91.03 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.475 -0.766 . . . . 0.0 111.366 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -71.89 -27.6 62.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -71.21 -24.25 62.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.12 1.368 . . . . 0.0 113.499 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -153.46 -36.05 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.66 -53.96 5.03 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 112.635 -168.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.7 p -77.83 -2.56 37.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 N--CA 1.478 0.953 0 C-N-CA 124.647 1.179 . . . . 0.0 113.354 162.838 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 121.016 0.436 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.3 94.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.997 0.919 . . . . 0.0 112.541 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.16 -41.5 73.74 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.991 0.516 . . . . 0.0 111.207 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -59.0 -41.03 86.69 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.384 1.073 . . . . 0.0 111.508 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -78.18 -39.48 40.62 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.062 0.545 . . . . 0.0 112.045 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -28.15 68.28 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -65.14 -20.34 66.41 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.524 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -92.63 -36.0 13.22 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.517 1.053 . . . . 0.0 112.585 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.87 -46.24 42.22 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.784 1.175 . . . . 0.0 111.698 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.18 -19.95 65.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.148 1.379 . . . . 0.0 113.68 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mm -76.91 -38.76 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.597 1.09 . . . . 0.0 111.272 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -83.08 -7.56 59.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.914 1.286 . . . . 0.0 112.995 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 13.2 73.51 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.678 1.132 . . . . 0.0 113.868 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.54 152.87 40.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.187 0.993 . . . . 0.0 110.825 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -152.38 121.46 6.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.714 1.606 . . . . 0.0 109.613 175.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.7 m -131.68 154.79 48.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.211 1.404 . . . . 0.0 112.048 -170.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.38 157.66 32.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.292 0.637 . . . . 0.0 111.184 165.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.24 -35.03 64.53 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.698 0.799 . . . . 0.0 112.388 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.21 68.6 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -86.92 -36.05 18.57 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.362 0.665 . . . . 0.0 111.832 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.11 -46.28 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 119.164 0.893 . . . . 0.0 110.583 173.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -53.86 -34.04 58.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.423 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -68.42 -35.53 77.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.79 -1.194 . . . . 0.0 113.005 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.39 -39.94 52.27 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.264 0.938 . . . . 0.0 111.038 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.81 -35.82 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.436 0.694 . . . . 0.0 112.014 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.51 -46.99 83.14 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.665 1.186 . . . . 0.0 111.399 172.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.92 -39.17 84.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.709 -0.62 . . . . 0.0 110.99 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.56 -15.44 58.03 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 174.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.48 -50.62 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.632 1.173 . . . . 0.0 111.024 168.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -72.9 -32.28 65.23 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -172.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -106.74 -21.36 13.06 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.511 1.524 . . . . 0.0 112.747 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 -8.81 24.73 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.601 1.572 . . . . 0.0 115.564 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.99 156.01 32.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.982 1.713 . . . . 0.0 112.401 -175.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -55.37 132.13 47.41 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.959 1.304 . . . . 0.0 112.608 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 2.8 mp0 -46.61 -37.69 8.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.499 2.319 . . . . 0.0 112.92 171.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -30.57 68.2 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.819 1.248 . . . . 0.0 113.081 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.92 -43.31 17.79 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.691 1.138 . . . . 0.0 111.841 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -40.42 92.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.834 0.854 . . . . 0.0 112.013 174.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -74.62 -45.11 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.074 0.95 . . . . 0.0 111.776 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -40.92 14.82 Favored Glycine 0 N--CA 1.471 0.984 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.495 -168.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.2 -22.99 61.95 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.931 1.366 . . . . 0.0 112.287 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.75 -28.99 69.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.446 1.099 . . . . 0.0 112.261 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.87 -43.68 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.375 1.07 . . . . 0.0 111.294 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.23 92.58 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.114 0.565 . . . . 0.0 111.735 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -67.36 -46.2 74.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.462 0.705 . . . . 0.0 111.797 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.83 -35.92 81.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.685 0.675 . . . . 0.0 112.618 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -66.57 -44.66 81.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.812 1.245 . . . . 0.0 110.201 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -42.0 98.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -76.98 -21.61 54.46 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.131 -0.981 . . . . 0.0 113.312 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.7 m80 73.79 -3.15 2.57 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.399 2.679 . . . . 0.0 113.804 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -72.49 146.98 46.47 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.741 -1.225 . . . . 0.0 112.39 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -94.69 135.26 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.405 1.482 . . . . 0.0 108.864 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.1 179.43 52.59 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.466 1.032 . . . . 0.0 113.948 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.91 145.71 51.61 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.222 1.809 . . . . 0.0 111.022 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -141.53 160.54 39.93 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.352 2.261 . . . . 0.0 108.87 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -54.49 -33.35 59.64 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.05 -35.85 80.77 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 112.396 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.53 -39.53 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.375 -0.828 . . . . 0.0 110.091 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -31.72 69.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 173.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.74 -37.14 81.77 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.633 1.106 . . . . 0.0 111.802 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -66.37 -39.65 89.24 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.071 -1.018 . . . . 0.0 112.712 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.1 -35.36 66.95 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.719 1.145 . . . . 0.0 113.886 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -58.43 -42.95 88.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.438 0.695 . . . . 0.0 111.966 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -83.91 -27.39 28.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.61 1.164 . . . . 0.0 112.992 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -67.05 -33.79 76.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.146 1.778 . . . . 0.0 112.771 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -149.65 -42.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.36 -54.78 27.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.432 1.015 . . . . 0.0 111.583 -173.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.2 m -64.56 -22.85 67.08 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 N--CA 1.475 0.804 0 O-C-N 121.125 -0.984 . . . . 0.0 112.675 174.026 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 121.045 0.45 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.82 71.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.064 0.946 . . . . 0.0 112.519 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.33 -32.64 74.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.758 1.223 . . . . 0.0 111.743 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -94.09 -36.89 11.89 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.89 -36.38 81.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.34 0.973 . . . . 0.0 111.798 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.15 60.47 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.42 -33.04 48.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.647 0.779 . . . . 0.0 111.735 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.28 -33.54 73.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.783 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.59 -34.83 59.78 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.341 1.057 . . . . 0.0 112.456 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -70.83 -20.74 62.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.157 0.983 . . . . 0.0 112.683 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 mm -73.34 -35.47 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.148 0.979 . . . . 0.0 111.047 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -98.34 -9.94 24.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.269 1.428 . . . . 0.0 113.523 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.6 18.63 61.54 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.753 1.168 . . . . 0.0 113.987 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 mt -76.07 159.38 30.83 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.272 1.036 . . . . 0.0 111.449 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -148.6 39.41 0.88 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.13 1.372 . . . . 0.0 111.784 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -57.8 143.11 43.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.484 1.514 . . . . 0.0 112.532 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.26 161.34 31.24 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.478 0.711 . . . . 0.0 111.809 169.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.14 -35.99 67.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.734 0.814 . . . . 0.0 112.153 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.23 67.94 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.3 mt -87.51 -34.34 18.66 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.599 0.759 . . . . 0.0 111.749 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -55.79 -46.15 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.644 1.111 . . . . 0.0 110.459 170.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.82 -34.28 67.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.295 0.638 . . . . 0.0 112.419 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.76 -29.77 67.19 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.634 -1.291 . . . . 0.0 113.269 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.55 -38.21 26.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.771 1.169 . . . . 0.0 111.072 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.27 -39.21 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 118.855 0.752 . . . . 0.0 111.282 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.25 -40.66 59.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.221 1.008 . . . . 0.0 111.62 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.93 -45.28 74.78 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.636 -0.665 . . . . 0.0 110.198 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -62.0 -30.05 70.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.875 0.87 . . . . 0.0 113.01 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -75.92 -45.43 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.467 1.107 . . . . 0.0 111.012 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -75.07 -49.74 18.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.95 0.9 . . . . 0.0 112.666 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -88.57 -17.3 30.48 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.261 1.424 . . . . 0.0 113.747 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 -0.87 62.36 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.392 1.472 . . . . 0.0 114.776 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -80.37 145.0 32.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.776 1.63 . . . . 0.0 111.233 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -63.64 149.1 47.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.145 1.378 . . . . 0.0 112.723 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.87 -34.03 52.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.071 1.748 . . . . 0.0 114.642 -170.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.78 -28.84 69.74 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.53 -17.27 79.86 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 124.365 0.983 . . . . 0.0 112.63 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.6 mmt -93.8 -53.79 3.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.152 0.981 . . . . 0.0 110.601 171.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -68.64 -43.21 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.127 0.971 . . . . 0.0 112.139 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.52 -39.93 24.39 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.735 0.698 . . . . 0.0 113.288 -174.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -69.98 -20.63 63.29 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.644 0.778 . . . . 0.0 112.951 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.28 -30.81 70.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 112.624 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.76 -41.05 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 118.651 0.659 . . . . 0.0 110.437 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.31 69.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.06 0.944 . . . . 0.0 113.032 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.15 -44.59 53.04 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.787 -0.571 . . . . 0.0 111.293 170.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.93 -39.14 91.02 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 p -68.74 -48.87 62.66 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.035 0.834 . . . . 0.0 111.728 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.9 m -66.01 -31.45 72.35 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -83.84 -26.5 29.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 172.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 72.34 11.87 5.76 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.342 2.257 . . . . 0.0 113.264 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 145.57 52.63 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.291 -1.505 . . . . 0.0 112.594 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.27 141.62 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.028 1.331 . . . . 0.0 110.568 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.08 -169.56 39.11 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.375 0.988 . . . . 0.0 113.939 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 mt -134.5 143.7 47.61 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.921 1.688 . . . . 0.0 110.204 175.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -138.72 161.84 36.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.864 2.065 . . . . 0.0 109.245 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -57.73 -29.55 64.83 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -74.46 -29.59 61.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.266 1.026 . . . . 0.0 113.247 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.96 -40.5 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.75 -31.69 69.79 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.36 -45.81 89.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.17 0.988 . . . . 0.0 110.848 170.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -65.47 -33.14 75.25 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.011 -1.056 . . . . 0.0 113.328 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.69 -34.78 74.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.422 1.01 . . . . 0.0 113.498 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.84 -36.96 75.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.792 0.724 . . . . 0.0 111.94 172.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -85.97 -15.84 40.27 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.565 1.146 . . . . 0.0 112.367 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.56 -20.89 28.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.44 1.496 . . . . 0.0 112.879 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -150.8 -51.57 0.13 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.45 -38.74 88.05 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.247 0.93 . . . . 0.0 113.017 -168.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.7 p -74.9 -23.62 58.4 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.472 0.626 0 O-C-N 121.112 -0.992 . . . . 0.0 113.187 -177.738 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.68 71.45 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.327 -0.858 . . . . 0.0 112.102 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -69.61 -22.97 63.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.035 0.934 . . . . 0.0 112.241 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -42.98 10.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.036 0.934 . . . . 0.0 111.203 173.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -36.08 80.13 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 111.799 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.74 65.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.72 -31.68 68.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.136 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -70.96 -33.01 70.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.854 0.861 . . . . 0.0 112.373 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -54.08 -32.91 56.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.206 1.403 . . . . 0.0 112.525 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.68 -29.11 70.4 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.418 1.487 . . . . 0.0 112.315 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.8 mm -83.6 -39.35 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.768 1.227 . . . . 0.0 110.475 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -84.82 -6.94 59.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.823 1.249 . . . . 0.0 113.618 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.57 70.73 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.735 1.16 . . . . 0.0 113.247 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.37 161.46 20.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.435 1.494 . . . . 0.0 112.154 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -153.3 129.67 10.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.968 1.707 . . . . 0.0 109.971 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 m -149.33 156.59 42.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.134 1.774 . . . . 0.0 111.238 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.55 154.45 34.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.106 0.562 . . . . 0.0 110.921 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.22 -33.77 59.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.36 1.064 . . . . 0.0 112.656 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.17 70.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.72 0.808 . . . . 0.0 112.702 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.06 -35.81 25.43 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.691 0.678 . . . . 0.0 112.132 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.61 -45.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.195 0.907 . . . . 0.0 110.752 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.64 -29.37 69.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.174 0.99 . . . . 0.0 112.775 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -65.8 -34.14 77.48 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 174.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.03 -35.44 66.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.917 1.235 . . . . 0.0 111.707 172.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.34 -40.7 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 118.798 0.726 . . . . 0.0 110.748 170.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.31 -31.79 69.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.293 1.037 . . . . 0.0 111.964 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.77 -46.7 44.03 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.663 -1.273 . . . . 0.0 110.757 171.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.17 -37.39 72.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.789 1.177 . . . . 0.0 112.734 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -73.47 -33.38 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.954 1.302 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -90.81 -46.28 8.31 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.337 0.971 . . . . 0.0 113.033 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -82.49 -20.44 36.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.408 1.083 . . . . 0.0 112.561 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.6 2.45 88.02 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.803 1.668 . . . . 0.0 114.784 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -90.54 143.29 26.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.265 1.426 . . . . 0.0 110.538 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -72.26 161.78 30.38 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.9 -40.08 60.13 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.698 2.399 . . . . 0.0 112.843 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.15 -25.29 66.9 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.0 -52.37 4.1 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 124.413 1.006 . . . . 0.0 110.936 172.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -38.91 84.41 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.933 . . . . 0.0 112.777 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.65 -48.87 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.141 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.22 -26.22 62.22 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 115.244 0.857 . . . . 0.0 115.244 -166.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -85.57 -16.1 40.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.427 1.114 . . . . 0.0 113.437 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.58 -27.32 67.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.614 1.166 . . . . 0.0 112.997 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.8 mp -62.23 -31.29 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.872 0.869 . . . . 0.0 111.15 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.4 78.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.692 0.797 . . . . 0.0 112.922 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.51 -47.43 69.98 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.118 0.967 . . . . 0.0 110.43 175.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 81.8 m -60.84 -38.48 85.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.11 0.964 . . . . 0.0 112.494 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -65.7 -49.27 69.15 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.965 1.306 . . . . 0.0 110.549 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -65.6 -34.49 78.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.4 p -87.26 -23.71 24.61 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 76.95 5.58 3.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 128.678 2.791 . . . . 0.0 112.737 -175.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -69.83 135.02 49.16 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.927 -1.108 . . . . 0.0 112.365 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -93.5 -4.64 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.97 1.308 . . . . 0.0 113.847 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.84 161.66 24.58 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.611 1.577 . . . . 0.0 113.21 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.58 161.96 28.38 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.469 1.508 . . . . 0.0 111.716 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -141.51 168.53 19.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.921 2.088 . . . . 0.0 109.732 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -60.7 -28.12 68.4 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.16 -33.34 61.49 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.119 0.968 . . . . 0.0 112.114 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -69.78 -42.42 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.45 -0.781 . . . . 0.0 110.361 174.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.53 -26.68 62.75 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.139 0.881 . . . . 0.0 113.304 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.2 -39.0 82.57 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.108 -0.995 . . . . 0.0 111.404 166.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -66.96 -37.81 84.95 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.305 -0.872 . . . . 0.0 112.721 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.06 -34.81 45.17 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.591 1.557 . . . . 0.0 113.883 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -55.82 -43.58 77.07 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.786 1.234 . . . . 0.0 112.527 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -95.23 -27.32 15.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.434 1.493 . . . . 0.0 112.267 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -69.39 -37.42 77.53 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.909 1.684 . . . . 0.0 112.226 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -144.62 -40.25 0.26 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -54.22 25.97 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.533 1.06 . . . . 0.0 113.354 -169.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.8 p -64.67 -40.13 94.87 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.4 -0.813 . . . . 0.0 112.414 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 179.519 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -104.61 154.97 19.26 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.813 0.845 . . . . 0.0 112.894 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.67 -4.0 57.97 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.912 1.285 . . . . 0.0 113.911 166.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m 78.15 96.19 0.06 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.774 2.43 . . . . 0.0 113.043 171.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.15 68.38 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.063 0.945 . . . . 0.0 113.477 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.01 -28.25 68.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.034 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.6 -34.47 30.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.933 0.788 . . . . 0.0 110.895 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -67.71 -43.13 80.78 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.072 0.949 . . . . 0.0 111.006 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.83 66.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.361 1.465 . . . . 0.0 114.389 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.0 -30.87 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.9 0.773 . . . . 0.0 112.589 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -79.55 -39.38 31.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.205 0.602 . . . . 0.0 112.064 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -55.83 -34.47 65.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.537 1.135 . . . . 0.0 112.387 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.69 -19.24 62.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.131 1.372 . . . . 0.0 113.033 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.42 -45.55 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.763 1.165 . . . . 0.0 109.984 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -93.27 -5.98 48.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.829 1.252 . . . . 0.0 113.644 -171.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 28.36 54.18 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.625 1.107 . . . . 0.0 113.458 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -80.76 89.19 5.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.459 1.504 . . . . 0.0 109.773 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.61 110.72 8.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.604 0.762 . . . . 0.0 112.123 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.9 m -134.86 144.56 47.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.136 2.174 . . . . 0.0 110.622 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -79.81 164.1 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.138 0.575 . . . . 0.0 111.082 160.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.17 -38.26 51.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.287 1.035 . . . . 0.0 112.661 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.01 -28.93 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.77 -27.9 22.03 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.043 0.937 . . . . 0.0 112.143 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.13 -47.29 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 119.677 1.126 . . . . 0.0 110.117 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.03 -28.19 69.41 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.606 0.762 . . . . 0.0 112.299 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -59.58 -37.72 79.25 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.674 -1.266 . . . . 0.0 112.449 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.88 -34.25 64.37 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.362 0.983 . . . . 0.0 112.053 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.85 -44.1 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.003 0.82 . . . . 0.0 110.5 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.79 -41.99 83.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.281 173.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.97 -46.61 83.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.336 0.971 . . . . 0.0 111.599 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.8 m -56.1 -39.87 72.82 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.716 1.143 . . . . 0.0 112.21 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -75.36 -42.59 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.028 1.331 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -69.39 -43.1 74.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.544 0.738 . . . . 0.0 112.219 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.71 -17.06 32.59 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.198 0.999 . . . . 0.0 112.95 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.17 58.45 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.249 0.928 . . . . 0.0 111.453 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -127.84 140.64 51.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.467 1.507 . . . . 0.0 110.684 -164.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.26 141.13 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.843 0.857 . . . . 0.0 112.726 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -63.42 -21.3 66.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.931 1.693 . . . . 0.0 115.415 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.03 -22.34 66.79 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.637 1.108 . . . . 0.0 112.569 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.98 -50.42 6.89 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -37.37 84.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.285 1.034 . . . . 0.0 112.637 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -79.58 -44.95 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.621 0.768 . . . . 0.0 111.199 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -44.64 47.53 Favored Glycine 0 N--CA 1.47 0.929 0 CA-C-N 118.993 0.815 . . . . 0.0 114.313 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -76.38 -22.19 55.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 117.833 0.816 . . . . 0.0 112.646 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.35 -28.98 68.41 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.835 1.254 . . . . 0.0 112.675 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.63 -42.96 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.538 0.735 . . . . 0.0 111.004 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.62 84.16 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 112.127 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.58 -47.99 73.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.562 0.745 . . . . 0.0 111.33 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -62.25 -35.34 78.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.2 m -65.05 -47.01 78.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.365 1.066 . . . . 0.0 111.185 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.2 m -64.22 -34.58 78.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.5 p -83.62 -15.02 50.6 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 71.2 7.41 6.12 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 128.306 2.643 . . . . 0.0 113.237 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.55 127.24 32.66 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.722 -1.236 . . . . 0.0 112.707 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.26 -12.17 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 124.517 1.127 . . . . 0.0 113.969 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.68 150.5 20.85 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.275 1.893 . . . . 0.0 112.361 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.66 162.41 13.09 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.613 1.165 . . . . 0.0 112.08 -173.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.3 p -134.49 165.38 25.33 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.747 . . . . 0.0 110.766 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.9 p -59.09 -25.2 63.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.33 -43.29 51.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.888 0.875 . . . . 0.0 111.405 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.5 mt -61.85 -49.35 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-N 119.37 0.987 . . . . 0.0 110.863 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.33 -20.33 61.5 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -72.61 -50.33 26.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.285 0.948 . . . . 0.0 111.049 167.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -64.2 -29.13 70.25 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.095 -1.003 . . . . 0.0 113.369 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -55.04 -30.87 60.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.62 1.168 . . . . 0.0 113.536 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.4 -39.31 90.23 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.29 0.636 . . . . 0.0 112.35 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -91.07 -26.1 19.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.935 1.294 . . . . 0.0 112.873 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.26 -24.42 60.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.549 1.539 . . . . 0.0 112.77 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -148.77 -45.49 0.15 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.9 -48.87 27.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.072 0.851 . . . . 0.0 113.192 -168.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.5 p -68.87 -23.91 64.28 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.037 -1.039 . . . . 0.0 113.259 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -65.01 -29.54 70.46 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.565 1.146 . . . . 0.0 113.785 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -118.19 -3.23 11.06 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.19 1.396 . . . . 0.0 114.712 -170.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -56.83 124.84 19.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.329 1.451 . . . . 0.0 113.108 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 p -81.24 -23.39 38.07 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -71.14 -20.18 62.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.635 1.174 . . . . 0.0 113.444 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.81 -10.79 49.86 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.411 1.484 . . . . 0.0 113.977 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.284 1.434 . . . . 0.0 112.938 -176.627 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mtp . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -163.68 169.02 19.09 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.869 1.267 . . . . 0.0 112.19 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.76 87.03 2.21 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.773 1.229 . . . . 0.0 111.016 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 t -70.76 137.51 49.69 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.78 71.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.676 1.19 . . . . 0.0 113.66 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -70.92 -27.83 64.07 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -79.6 -29.46 41.17 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.503 0.721 . . . . 0.0 110.702 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.8 -46.18 72.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.425 0.69 . . . . 0.0 110.625 169.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.97 69.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.457 1.103 . . . . 0.0 113.586 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.77 -25.21 68.1 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.292 1.037 . . . . 0.0 112.421 173.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -85.12 -40.82 16.31 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.307 0.958 . . . . 0.0 112.198 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.49 -43.34 64.97 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.189 0.904 . . . . 0.0 112.06 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -9.9 58.77 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.626 1.17 . . . . 0.0 114.031 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -86.06 -41.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.71 1.141 . . . . 0.0 109.915 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -81.29 -21.29 39.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.27 20.23 42.74 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.796 1.188 . . . . 0.0 113.873 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.44 155.87 40.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.803 1.241 . . . . 0.0 111.125 174.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.44 28.36 3.68 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.539 1.135 . . . . 0.0 113.737 -165.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -58.97 128.06 35.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.116 -0.99 . . . . 0.0 110.928 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.02 170.34 14.04 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.223 0.609 . . . . 0.0 111.036 166.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -54.41 -37.35 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.847 0.859 . . . . 0.0 112.522 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.73 -24.3 64.44 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.17 -31.93 14.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.145 0.978 . . . . 0.0 111.867 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.5 -42.76 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.594 1.088 . . . . 0.0 110.364 168.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.31 -31.91 62.03 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 172.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -69.96 -40.11 75.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.23 -36.84 71.97 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.517 1.053 . . . . 0.0 110.868 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.44 -42.87 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 118.46 0.573 . . . . 0.0 111.226 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.25 -43.26 78.52 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.083 0.856 . . . . 0.0 111.687 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.72 -47.53 85.88 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 111.279 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.1 -32.42 68.08 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.867 -1.146 . . . . 0.0 113.315 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.22 -41.01 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.29 1.436 . . . . 0.0 111.765 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -75.77 -36.36 59.85 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.079 0.854 . . . . 0.0 113.054 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -100.53 -10.18 21.3 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.36 3.66 58.21 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.917 1.246 . . . . 0.0 114.442 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -85.18 148.54 26.05 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.563 1.545 . . . . 0.0 110.85 -174.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -67.53 156.3 37.04 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.017 0.913 . . . . 0.0 113.158 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -54.07 -35.66 62.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.188 2.195 . . . . 0.0 113.452 -174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.89 -33.59 70.68 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.798 1.239 . . . . 0.0 113.157 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 -32.97 56.52 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.814 0.721 . . . . 0.0 112.638 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -43.05 22.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.486 1.115 . . . . 0.0 111.235 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.7 t -74.62 -42.98 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.607 0.763 . . . . 0.0 112.476 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -30.48 61.87 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 118.664 0.666 . . . . 0.0 114.047 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -82.75 -18.07 42.03 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.064 0.932 . . . . 0.0 112.986 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -65.27 -23.01 66.93 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.993 -1.067 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.04 -37.17 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.096 0.958 . . . . 0.0 111.436 175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.11 -21.96 66.38 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.004 0.922 . . . . 0.0 112.847 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.54 -66.9 0.78 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.899 0.879 . . . . 0.0 109.339 167.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m -63.45 -37.53 87.65 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -72.51 -32.09 65.87 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.797 . . . . 0.0 111.693 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -75.95 -39.75 55.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.65 0.78 . . . . 0.0 112.529 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 p -78.56 -27.1 45.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 112.758 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.3 m80 78.07 5.1 2.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.685 2.794 . . . . 0.0 112.94 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.01 119.17 12.89 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 111.54 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -83.22 -13.93 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.538 1.135 . . . . 0.0 113.098 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.98 156.27 22.84 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.433 1.492 . . . . 0.0 112.1 172.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.0 139.72 51.96 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.144 1.777 . . . . 0.0 109.485 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 p -145.03 162.6 36.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.669 1.588 . . . . 0.0 110.649 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 m -58.11 -32.51 68.18 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.643 -0.661 . . . . 0.0 112.072 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.96 -39.68 75.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.081 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.6 -44.05 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.912 0.778 . . . . 0.0 110.826 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.23 -31.98 62.82 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.188 0.904 . . . . 0.0 113.231 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -73.44 -26.93 61.16 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.513 1.051 . . . . 0.0 112.59 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.8 t -69.96 -39.24 76.14 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.199 -1.563 . . . . 0.0 111.897 168.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -60.5 -34.78 74.58 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.094 -1.004 . . . . 0.0 113.296 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.66 -44.16 76.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.971 0.508 . . . . 0.0 111.273 171.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -75.8 -26.0 56.89 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -70.03 -25.46 63.58 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.615 1.566 . . . . 0.0 113.429 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -153.36 -39.6 0.1 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.08 -47.28 11.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.638 1.108 . . . . 0.0 112.545 -169.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -16.84 62.79 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -73.44 -3.86 30.11 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.542 1.137 . . . . 0.0 113.623 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 89.72 138.35 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 130.896 3.678 . . . . 0.0 110.336 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.2 tp -129.86 86.88 2.46 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.7 1.2 . . . . 0.0 111.675 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.4 m -69.2 -5.46 22.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.353 1.461 . . . . 0.0 114.502 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.98 -14.78 63.21 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.931 1.292 . . . . 0.0 114.037 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.25 -40.89 0.1 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.951 1.3 . . . . 0.0 114.296 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 . . . . . 0 C--O 1.251 1.137 0 C-N-CA 124.518 1.127 . . . . 0.0 112.466 178.439 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -76.95 -21.19 55.16 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -169.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.16 54.28 0.18 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.145 1.378 . . . . 0.0 111.591 -173.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t -69.5 135.78 50.59 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.073 -1.017 . . . . 0.0 110.733 171.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.62 77.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.531 0.732 . . . . 0.0 112.414 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -74.26 -33.86 63.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.538 0.735 . . . . 0.0 111.338 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -71.76 -35.8 70.21 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.065 0.946 . . . . 0.0 111.371 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.9 -43.6 71.41 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.857 0.863 . . . . 0.0 111.461 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.02 -24.43 66.16 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.15 -33.09 72.86 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.874 0.761 . . . . 0.0 112.217 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.81 -47.32 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.838 0.745 . . . . 0.0 110.15 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.51 -36.77 69.56 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.593 1.157 . . . . 0.0 112.154 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.83 -31.42 72.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.792 1.637 . . . . 0.0 112.939 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.67 -42.98 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 121.436 -0.79 . . . . 0.0 110.844 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -94.82 -2.64 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.75 48.75 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.446 1.022 . . . . 0.0 114.602 172.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.42 94.22 8.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.514 1.157 . . . . 0.0 109.416 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -79.19 51.33 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.542 1.537 . . . . 0.0 112.054 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.3 145.62 54.95 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.015 1.326 . . . . 0.0 112.049 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.97 161.54 29.99 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.545 0.738 . . . . 0.0 111.909 170.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.02 -36.21 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.058 0.943 . . . . 0.0 111.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.39 68.35 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.515 -0.741 . . . . 0.0 112.988 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.96 -35.47 22.02 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.554 0.742 . . . . 0.0 111.78 172.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.32 -46.25 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.869 1.213 . . . . 0.0 110.61 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.8 -34.76 67.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.161 0.984 . . . . 0.0 112.209 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.45 -41.36 96.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.161 0.891 . . . . 0.0 112.661 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.39 -35.93 60.98 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.558 1.072 . . . . 0.0 112.015 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.09 -43.42 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.028 0.831 . . . . 0.0 111.03 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.51 -37.79 87.43 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.698 -0.626 . . . . 0.0 112.097 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.73 -46.75 86.64 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.588 -1.32 . . . . 0.0 111.291 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.8 m -58.34 -33.32 69.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.964 0.905 . . . . 0.0 112.398 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.14 -41.2 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.432 1.093 . . . . 0.0 112.014 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -43.24 23.76 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.75 0.704 . . . . 0.0 112.667 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -88.47 -21.29 24.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.082 0.953 . . . . 0.0 113.215 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.4 3.09 69.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.45 1.024 . . . . 0.0 114.691 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -82.99 151.36 25.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.03 1.332 . . . . 0.0 109.959 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -68.85 164.73 21.34 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -61.19 -35.22 76.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.284 1.434 . . . . 0.0 111.922 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.42 -37.01 76.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.667 1.187 . . . . 0.0 111.945 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.75 64.96 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 123.915 0.769 . . . . 0.0 112.174 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -53.82 38.73 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.926 0.891 . . . . 0.0 110.99 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.92 -39.27 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.16 0.584 . . . . 0.0 112.185 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -41.8 94.22 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.957 0.798 . . . . 0.0 113.298 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.83 -27.09 60.14 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 117.684 0.742 . . . . 0.0 112.382 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.76 -38.47 76.78 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.707 0.685 . . . . 0.0 111.686 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.7 mt -60.15 -46.34 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.137 0.975 . . . . 0.0 110.657 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.01 88.74 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.96 0.504 . . . . 0.0 111.52 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -66.05 -51.8 54.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -68.35 -27.26 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.461 1.028 . . . . 0.0 113.538 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -67.69 -44.32 78.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.989 0.916 . . . . 0.0 110.559 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 t -63.95 -41.38 97.61 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.6 p -79.62 -28.78 40.94 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 70.75 8.57 6.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 127.36 2.264 . . . . 0.0 114.264 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -70.68 152.95 43.3 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.219 -1.551 . . . . 0.0 112.126 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.1 m -76.27 129.26 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.073 0.949 . . . . 0.0 110.617 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.24 -168.5 37.88 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 123.96 0.791 . . . . 0.0 113.74 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 159.56 40.3 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.672 1.589 . . . . 0.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -134.02 167.02 21.39 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.037 1.735 . . . . 0.0 111.372 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -63.66 -21.54 66.43 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -77.77 -43.39 30.89 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.212 1.005 . . . . 0.0 111.049 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.43 -47.06 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.422 -0.799 . . . . 0.0 110.187 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.4 -13.59 61.89 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -79.24 -45.76 19.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.629 1.104 . . . . 0.0 110.818 164.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -63.06 -31.43 72.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.159 0.984 . . . . 0.0 113.091 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -57.84 -29.18 64.76 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.148 1.379 . . . . 0.0 114.034 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.28 -38.8 90.75 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.601 -0.687 . . . . 0.0 111.799 173.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -78.88 -27.14 43.95 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.066 -1.021 . . . . 0.0 112.283 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -67.84 -28.82 67.88 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.029 1.332 . . . . 0.0 113.191 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -151.69 -44.45 0.11 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.41 -42.18 65.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.604 1.093 . . . . 0.0 112.714 -169.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.9 t -74.27 -16.68 60.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.399 1.08 . . . . 0.0 113.29 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -62.73 -29.85 70.99 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.671 -1.268 . . . . 0.0 113.492 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 167.28 141.45 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 129.533 3.133 . . . . 0.0 111.328 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.4 tp -116.56 113.6 22.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.822 1.649 . . . . 0.0 109.148 166.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -65.54 -17.88 64.9 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -76.29 -19.14 58.56 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.767 1.227 . . . . 0.0 113.301 172.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.18 -21.52 9.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.002 1.721 . . . . 0.0 114.496 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 124.491 1.116 . . . . 0.0 113.531 -178.782 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -72.69 152.3 41.76 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.71 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.842 2.457 . . . . 0.0 113.501 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t 80.35 147.86 0.09 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.186 2.594 . . . . 0.0 112.962 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.94 97.43 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.205 1.002 . . . . 0.0 113.106 -171.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -67.09 -25.82 66.41 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -79.38 -42.69 25.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.99 0.516 . . . . 0.0 111.093 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.11 -40.18 78.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.918 -0.489 . . . . 0.0 111.821 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.78 70.05 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.83 -33.81 76.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 111.502 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -70.99 -44.06 66.73 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.119 0.872 . . . . 0.0 111.277 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.8 mt -54.44 -39.6 67.55 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 123.908 0.883 . . . . 0.0 111.797 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -66.74 -29.79 69.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.51 1.124 . . . . 0.0 113.086 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.44 -42.64 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.55 1.068 . . . . 0.0 111.194 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.74 -11.69 58.11 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 20.85 57.61 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.225 1.393 . . . . 0.0 114.212 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.34 121.41 21.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.608 1.163 . . . . 0.0 110.955 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.83 146.15 35.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.195 0.998 . . . . 0.0 111.187 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.9 p -164.32 -179.76 6.28 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -170.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.74 168.26 23.38 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.854 2.462 . . . . 0.0 108.411 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.73 -38.39 47.17 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.417 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.05 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.42 -33.97 21.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.84 -47.28 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.311 -0.868 . . . . 0.0 110.071 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.1 -34.49 72.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.967 0.907 . . . . 0.0 112.158 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -61.04 -33.11 72.79 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.958 -1.089 . . . . 0.0 113.028 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.34 -39.0 15.72 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.625 1.102 . . . . 0.0 112.479 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.57 -35.03 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 119.528 1.058 . . . . 0.0 111.416 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.36 -37.64 72.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.86 0.864 . . . . 0.0 112.062 171.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.73 -46.58 81.67 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.293 0.951 . . . . 0.0 110.534 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.35 -39.98 77.1 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.495 0.718 . . . . 0.0 112.376 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.75 -40.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.784 1.233 . . . . 0.0 111.601 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -76.95 -44.44 31.4 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.787 0.835 . . . . 0.0 112.903 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.65 -16.02 31.4 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.756 1.222 . . . . 0.0 113.84 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.81 33.58 66.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.883 0.754 . . . . 0.0 112.765 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -120.18 148.9 43.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.14 1.376 . . . . 0.0 111.46 -170.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -65.6 151.11 47.24 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 0.0 113.614 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.12 -39.7 60.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.308 1.843 . . . . 0.0 113.336 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.16 -32.37 73.74 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.705 1.202 . . . . 0.0 111.885 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.64 -21.5 74.76 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.484 1.04 . . . . 0.0 112.869 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.5 mmt -87.81 -61.15 1.78 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.889 0.876 . . . . 0.0 110.455 167.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.8 -40.58 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.183 0.993 . . . . 0.0 112.051 -165.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.77 -32.71 61.02 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 118.584 0.629 . . . . 0.0 113.094 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -78.75 -29.05 44.97 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.695 0.798 . . . . 0.0 111.851 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.21 -30.37 71.43 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.994 0.918 . . . . 0.0 112.085 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.0 mm -58.88 -52.46 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.688 0.677 . . . . 0.0 110.463 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.76 -37.45 79.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.391 0.676 . . . . 0.0 112.167 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.6 -47.35 72.96 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.708 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.31 -42.11 94.89 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.999 0.818 . . . . 0.0 112.257 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.4 m -61.98 -41.76 98.38 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.912 1.285 . . . . 0.0 111.095 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.6 m -68.21 -38.25 81.72 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.5 p -82.61 -24.54 33.82 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.718 0.807 . . . . 0.0 112.659 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.2 m80 85.82 0.16 0.7 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 130.181 3.392 . . . . 0.0 113.121 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -77.38 164.45 25.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.643 1.177 . . . . 0.0 111.956 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.76 150.52 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.837 1.655 . . . . 0.0 110.296 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.82 -11.01 73.26 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.611 1.1 . . . . 0.0 114.527 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.8 mt 69.72 164.63 0.26 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.118 2.567 . . . . 0.0 114.506 167.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 t -175.74 154.94 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.696 2.799 . . . . 0.0 108.322 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -52.8 -37.04 59.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.468 1.107 . . . . 0.0 113.476 -170.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.73 -37.68 79.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.654 1.182 . . . . 0.0 112.514 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.07 -43.34 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.423 -0.798 . . . . 0.0 109.991 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.69 -34.74 72.29 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.455 -0.778 . . . . 0.0 112.759 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.62 -36.8 84.77 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.505 0.722 . . . . 0.0 111.306 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.1 m -70.29 -41.7 73.01 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.286 -0.884 . . . . 0.0 112.279 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -53.99 -33.09 56.14 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.106 1.363 . . . . 0.0 114.056 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.5 -34.37 64.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.841 0.856 . . . . 0.0 112.263 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.48 -5.71 51.29 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.703 1.201 . . . . 0.0 113.375 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.51 -31.83 19.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.419 1.088 . . . . 0.0 112.676 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -140.23 -43.03 0.42 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.2 -40.0 68.18 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.415 1.007 . . . . 0.0 112.658 -169.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.2 p -76.08 -14.54 60.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -67.31 -46.14 74.39 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.064 0.946 . . . . 0.0 112.84 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 174.46 138.12 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 128.772 2.829 . . . . 0.0 109.471 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.0 tp -137.63 126.25 23.69 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.256 1.422 . . . . 0.0 108.513 158.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.1 m -79.33 -13.51 59.6 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -89.94 143.99 26.31 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.431 1.892 . . . . 0.0 111.755 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 69.99 -41.72 0.49 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.236 2.615 . . . . 0.0 115.438 173.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 . . . . . 0 C--O 1.255 1.373 0 C-N-CA 126.612 1.965 . . . . 0.0 112.927 177.147 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 p -88.9 156.94 18.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.901 0.88 . . . . 0.0 113.247 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -169.9 -60.59 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.354 1.862 . . . . 0.0 112.089 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.5 p -117.18 2.69 12.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.266 1.426 . . . . 0.0 114.662 -171.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.7 -42.75 35.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.953 1.701 . . . . 0.0 114.482 -170.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -67.34 -25.56 66.05 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.246 1.418 . . . . 0.0 112.563 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -93.74 -43.33 8.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.173 . . . . 0.0 111.09 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.41 -44.25 76.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.689 1.196 . . . . 0.0 111.943 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -26.0 63.35 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.86 -22.24 56.4 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.731 0.696 . . . . 0.0 112.799 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.65 -39.51 36.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.2 0.909 . . . . 0.0 111.36 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt -52.68 -46.89 67.45 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.526 0.731 . . . . 0.0 111.956 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.73 -15.91 62.21 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.64 -44.52 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.991 1.269 . . . . 0.0 110.194 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -79.51 -16.08 56.64 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.36 17.85 51.41 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.843 1.211 . . . . 0.0 113.886 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.11 158.8 34.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.575 1.188 . . . . 0.0 111.173 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -145.95 128.18 15.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.804 1.242 . . . . 0.0 110.654 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.0 m -140.2 145.26 37.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.93 1.692 . . . . 0.0 111.062 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -71.84 162.75 28.98 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.837 0.455 . . . . 0.0 110.829 159.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.04 -36.25 62.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.05 65.29 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 mt -89.36 -29.26 19.24 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 0.0 112.296 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 98.3 mt -60.89 -50.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.964 1.256 . . . . 0.0 109.168 166.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.25 -33.72 54.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.194 0.998 . . . . 0.0 112.546 170.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -66.94 -27.05 67.16 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.962 1.255 . . . . 0.0 113.732 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.61 -39.28 18.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.515 1.052 . . . . 0.0 111.754 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.4 t -61.83 -34.27 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.688 0.676 . . . . 0.0 111.616 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.06 -38.6 62.62 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.348 1.459 . . . . 0.0 112.0 171.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.36 -42.91 82.7 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.516 -0.74 . . . . 0.0 110.694 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.5 -36.32 80.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.655 0.782 . . . . 0.0 112.634 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.23 -42.49 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 0.0 111.257 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.84 -49.17 18.76 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.768 1.227 . . . . 0.0 112.739 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.49 -18.73 20.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.408 1.483 . . . . 0.0 113.576 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.91 80.35 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.636 1.112 . . . . 0.0 114.04 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.68 147.42 25.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.767 1.627 . . . . 0.0 110.787 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -65.61 155.34 36.13 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 112.774 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -64.44 -28.09 69.44 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.628 1.171 . . . . 0.0 113.498 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.39 -30.89 71.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.009 0.924 . . . . 0.0 112.133 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.54 -15.68 79.26 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.536 1.541 . . . . 0.0 112.841 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 mmt -87.83 -59.93 2.11 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.085 0.954 . . . . 0.0 109.773 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.76 -43.24 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.819 0.848 . . . . 0.0 111.695 -171.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.79 77.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 119.168 0.895 . . . . 0.0 113.379 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -80.41 -27.14 38.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 117.798 0.799 . . . . 0.0 112.34 175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.99 -33.31 75.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 111.92 173.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.94 -48.32 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.46 0.704 . . . . 0.0 110.77 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.28 94.42 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.87 0.759 . . . . 0.0 112.141 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -62.27 -33.31 74.38 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.194 0.998 . . . . 0.0 112.852 176.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.93 -36.39 21.46 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -69.63 -43.9 71.72 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.904 1.282 . . . . 0.0 111.699 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 p -92.53 -25.77 18.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.534 1.534 . . . . 0.0 113.319 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.7 m80 83.09 20.59 0.2 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.78 2.832 . . . . 0.0 112.423 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -63.47 149.56 45.79 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.601 -1.312 . . . . 0.0 112.626 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.4 132.77 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 109.111 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.64 -177.45 51.53 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.18 0.895 . . . . 0.0 113.541 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.3 mt -136.16 156.94 47.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.667 1.587 . . . . 0.0 111.325 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -172.98 156.59 3.34 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.818 2.447 . . . . 0.0 108.721 -171.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 m -52.53 -31.62 36.46 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.353 1.461 . . . . 0.0 114.543 -169.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.5 -36.87 83.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.087 0.955 . . . . 0.0 112.261 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -72.96 -39.77 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.063 -1.023 . . . . 0.0 110.251 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.68 -33.21 68.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.58 -45.37 93.23 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.597 -0.689 . . . . 0.0 111.283 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.2 m -66.88 -34.14 77.14 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.346 -0.846 . . . . 0.0 112.766 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.53 -33.11 73.27 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.661 1.118 . . . . 0.0 113.471 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.81 -44.36 96.99 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.331 -0.856 . . . . 0.0 111.498 172.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -74.16 -29.33 61.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.936 0.894 . . . . 0.0 112.659 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -68.81 -34.09 74.94 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.356 1.863 . . . . 0.0 112.825 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -144.98 -42.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.73 -39.19 73.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.364 1.438 . . . . 0.0 112.031 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.4 m -68.54 -17.79 64.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 170.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -90.13 -32.79 16.5 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.825 1.25 . . . . 0.0 113.995 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -164.3 126.01 2.27 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.678 1.591 . . . . 0.0 111.947 -168.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.6 tp -97.35 112.15 24.1 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.705 1.602 . . . . 0.0 108.103 154.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.8 m -70.16 -14.34 62.6 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -171.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -83.5 -13.49 54.49 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.709 1.204 . . . . 0.0 113.215 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.62 -34.76 7.64 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.745 1.618 . . . . 0.0 113.05 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.072 1.749 . . . . 0.0 111.461 176.932 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -84.71 41.54 0.86 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.998 1.319 . . . . 0.0 113.967 -171.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.45 61.4 2.24 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.691 1.596 . . . . 0.0 112.555 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 m -62.06 128.66 37.18 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.001 -1.062 . . . . 0.0 113.04 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.17 74.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.112 0.965 . . . . 0.0 113.238 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -66.42 -34.02 77.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.92 0.888 . . . . 0.0 112.15 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -74.64 -33.01 62.45 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.977 0.808 . . . . 0.0 111.297 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.3 -47.5 73.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.345 0.658 . . . . 0.0 110.99 169.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.97 76.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.502 1.121 . . . . 0.0 113.047 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.18 -30.66 71.58 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -29.39 55.73 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.6 mt -50.22 -46.37 54.59 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.543 1.137 . . . . 0.0 112.664 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -65.08 -23.77 67.26 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.414 1.085 . . . . 0.0 113.071 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.25 -36.95 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.098 0.959 . . . . 0.0 111.03 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -86.87 -8.63 57.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.224 1.41 . . . . 0.0 113.2 174.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 11.39 74.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.662 1.125 . . . . 0.0 114.12 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.17 162.71 27.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.609 1.164 . . . . 0.0 111.633 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.94 123.03 4.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.974 1.71 . . . . 0.0 109.333 172.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -137.24 150.64 47.99 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.031 1.333 . . . . 0.0 111.574 -172.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -79.39 162.35 25.58 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.771 0.828 . . . . 0.0 111.939 168.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -53.77 -37.67 63.68 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.501 1.12 . . . . 0.0 112.194 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.62 68.29 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.02 -38.97 18.58 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.553 0.741 . . . . 0.0 110.587 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.83 -42.52 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.983 0.913 . . . . 0.0 111.355 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.17 -34.25 66.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.87 0.868 . . . . 0.0 112.335 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -67.8 -29.75 69.01 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.741 1.155 . . . . 0.0 112.98 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.93 -40.45 24.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.968 1.258 . . . . 0.0 111.418 171.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.36 -40.13 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.424 0.689 . . . . 0.0 111.165 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.14 -48.81 61.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 111.564 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.28 -43.51 86.2 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.357 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.29 -39.69 76.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.268 0.94 . . . . 0.0 112.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.02 -41.56 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 111.871 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -73.54 -42.26 61.93 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.89 0.876 . . . . 0.0 112.856 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CD2' HD12 ' A' ' 70' ' ' LEU . 73.1 m-85 -95.01 -16.39 22.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.757 1.223 . . . . 0.0 113.652 -175.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.26 7.22 86.86 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.214 1.388 . . . . 0.0 114.466 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.06 142.89 27.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.856 1.263 . . . . 0.0 110.368 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -71.31 158.26 36.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.933 1.349 . . . . 0.0 114.235 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.88 -36.97 68.21 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.587 2.755 . . . . 0.0 113.207 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.05 -28.29 68.96 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.567 1.147 . . . . 0.0 112.695 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.18 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.9 0.762 . . . . 0.0 111.54 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.86 89.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.004 0.922 . . . . 0.0 112.269 177.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -74.69 -42.98 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.013 0.925 . . . . 0.0 111.703 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.83 -42.62 9.62 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 118.804 0.729 . . . . 0.0 114.464 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -75.63 -20.77 58.27 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.651 1.225 . . . . 0.0 112.378 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -28.04 69.71 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.858 1.263 . . . . 0.0 112.43 173.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.05 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.122 0.969 . . . . 0.0 110.936 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.54 75.0 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.118 0.967 . . . . 0.0 112.762 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.32 -44.59 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.315 0.646 . . . . 0.0 111.073 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.3 -42.53 99.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.04 0.936 . . . . 0.0 112.74 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -69.95 -45.23 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.861 0.755 . . . . 0.0 112.123 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.0 t -61.43 -40.31 93.98 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.225 1.01 . . . . 0.0 112.943 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.0 p -80.46 -18.3 49.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.5 m80 71.96 10.67 6.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 128.05 2.54 . . . . 0.0 113.213 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -72.27 157.68 37.26 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.869 1.268 . . . . 0.0 112.923 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.31 148.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.953 1.701 . . . . 0.0 110.254 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 172.04 39.82 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.296 0.95 . . . . 0.0 112.914 -171.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.6 mt -136.15 153.97 51.11 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.423 1.489 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 t -172.49 155.37 3.4 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.346 2.258 . . . . 0.0 109.259 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -54.85 -30.28 57.21 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -164.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.14 -33.6 75.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.794 0.838 . . . . 0.0 112.527 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.3 mt -73.2 -42.71 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.304 1.042 . . . . 0.0 109.844 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.55 -32.32 69.71 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.732 -0.605 . . . . 0.0 112.586 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -66.99 -40.12 87.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.98 0.912 . . . . 0.0 111.613 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -66.14 -40.13 90.36 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.282 -0.886 . . . . 0.0 112.261 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -53.62 -31.28 46.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.216 1.407 . . . . 0.0 114.254 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -54.41 -34.94 62.31 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.994 0.918 . . . . 0.0 112.7 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.27 -15.44 24.49 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 112.76 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.63 -17.85 40.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.541 1.136 . . . . 0.0 113.106 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -152.04 -49.71 0.11 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 34' ' ' TYR . 3.7 mm? -68.51 -44.65 74.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.868 1.213 . . . . 0.0 113.569 -169.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -65.93 -23.98 66.73 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.09 -42.05 48.51 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.08 -1.013 . . . . 0.0 111.32 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -74.73 -46.61 36.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.104 1.761 . . . . 0.0 112.552 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.3 tp -86.99 108.02 18.66 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.575 0.75 . . . . 0.0 110.536 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.2 p -65.96 -16.69 64.11 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -72.08 -36.1 69.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.873 1.269 . . . . 0.0 111.664 171.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.37 -22.25 21.58 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.177 1.391 . . . . 0.0 113.496 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.766 2.026 . . . . 0.0 113.909 -177.661 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -156.68 153.68 28.88 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.932 1.293 . . . . 0.0 111.397 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.18 -23.22 60.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.512 0.725 . . . . 0.0 112.726 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t 76.66 131.83 0.05 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 128.003 2.521 . . . . 0.0 113.808 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.96 85.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.409 1.084 . . . . 0.0 112.743 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -70.37 -28.1 64.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.798 0.839 . . . . 0.0 112.311 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -81.43 -27.63 34.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.412 0.685 . . . . 0.0 111.853 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -82.51 -45.21 14.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.033 0.933 . . . . 0.0 112.172 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.09 65.33 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -170.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.16 -33.08 73.81 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.0 -22.85 55.39 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.01 -48.56 64.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.703 1.201 . . . . 0.0 112.205 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -72.12 -11.54 60.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.563 1.145 . . . . 0.0 113.748 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -73.59 -40.17 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.065 0.848 . . . . 0.0 109.939 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.03 -13.88 49.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.907 1.283 . . . . 0.0 113.188 174.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.01 11.95 59.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.21 1.386 . . . . 0.0 114.255 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -74.07 160.32 31.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.561 1.18 . . . . 0.0 111.016 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -153.71 133.44 13.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.417 1.487 . . . . 0.0 109.527 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -130.69 148.07 52.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.895 1.278 . . . . 0.0 111.891 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.12 161.0 29.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.17 0.588 . . . . 0.0 111.135 162.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -55.2 -34.89 64.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.319 1.048 . . . . 0.0 112.583 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.89 -30.71 70.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.638 0.775 . . . . 0.0 112.92 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.07 -34.25 22.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.723 0.809 . . . . 0.0 111.576 174.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.5 -47.06 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.424 1.011 . . . . 0.0 110.082 171.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -56.16 -39.03 71.71 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.478 1.111 . . . . 0.0 111.745 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -58.28 -46.54 85.87 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.529 1.058 . . . . 0.0 112.108 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.14 -38.1 72.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.682 1.128 . . . . 0.0 112.268 176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.06 -41.21 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.38 0.991 . . . . 0.0 110.989 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.22 -37.49 80.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.882 0.765 . . . . 0.0 111.99 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.8 -47.24 81.69 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.85 1.205 . . . . 0.0 110.546 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.7 m -58.04 -36.08 72.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.44 -40.65 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.424 1.09 . . . . 0.0 111.678 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.18 -50.47 10.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.991 0.814 . . . . 0.0 112.855 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -82.36 -19.68 38.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.945 1.298 . . . . 0.0 113.396 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.31 4.11 88.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.249 1.404 . . . . 0.0 114.799 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.88 148.49 25.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.07 1.348 . . . . 0.0 111.202 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.52 151.2 47.77 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -41.89 70.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.411 2.284 . . . . 0.0 113.859 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.29 -21.78 66.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.172 -0.955 . . . . 0.0 113.332 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.84 -44.96 11.17 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.143 0.878 . . . . 0.0 111.138 170.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -44.54 94.88 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.165 0.986 . . . . 0.0 111.524 174.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.35 -41.59 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 118.731 0.696 . . . . 0.0 111.935 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.27 -44.97 32.64 Favored Glycine 0 N--CA 1.469 0.858 0 CA-C-N 118.702 0.683 . . . . 0.0 113.927 -172.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.21 -19.05 61.18 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.471 1.135 . . . . 0.0 112.889 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.92 -26.58 66.92 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.978 0.911 . . . . 0.0 112.284 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.55 -43.64 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.321 1.048 . . . . 0.0 110.738 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 -11.31 54.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.714 1.206 . . . . 0.0 113.725 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -94.43 -65.99 0.95 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.255 1.022 . . . . 0.0 110.741 166.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.0 m -74.93 -38.88 61.66 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -164.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -77.95 -40.81 38.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.053 0.541 . . . . 0.0 110.415 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.0 m -63.81 -41.54 97.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 p -86.87 -7.93 57.75 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 m80 68.74 49.99 0.67 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.95 2.1 . . . . 0.0 112.252 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -70.22 161.19 30.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.583 1.153 . . . . 0.0 113.166 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.28 -17.19 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.57 -149.28 14.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.376 0.989 . . . . 0.0 113.14 -171.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.0 mt -129.34 142.36 50.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.081 1.752 . . . . 0.0 109.962 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -148.54 166.07 29.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.068 1.747 . . . . 0.0 110.342 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 p -57.0 -28.45 62.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -75.17 -40.91 59.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 111.778 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -68.58 -41.37 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.175 -0.953 . . . . 0.0 110.918 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.9 -24.47 55.63 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.461 1.028 . . . . 0.0 113.042 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -66.71 -43.55 84.02 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.336 0.971 . . . . 0.0 111.162 164.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -66.35 -31.42 72.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.258 -0.901 . . . . 0.0 112.641 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.35 -33.23 70.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.473 1.109 . . . . 0.0 112.964 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.82 -45.41 92.72 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.58 0.627 . . . . 0.0 110.807 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.48 -31.72 71.21 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.099 -1.001 . . . . 0.0 112.659 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -71.3 -25.78 62.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.544 1.138 . . . . 0.0 113.735 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -150.36 -48.42 0.13 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.2 -43.61 77.68 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.854 1.206 . . . . 0.0 112.451 -173.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -67.95 -22.28 65.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.095 0.958 . . . . 0.0 112.902 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -78.36 -21.8 48.92 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.854 -1.154 . . . . 0.0 112.854 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -108.97 -28.0 9.36 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.215 1.806 . . . . 0.0 114.03 -165.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.26 108.5 4.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.046 0.939 . . . . 0.0 111.91 -175.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.6 p -77.78 -7.77 57.05 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.71 -23.15 65.25 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.816 -1.178 . . . . 0.0 113.038 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.06 6.93 2.65 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.277 1.431 . . . . 0.0 113.997 -174.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 C--O 1.253 1.254 0 C-N-CA 125.692 1.597 . . . . 0.0 111.75 178.014 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -72.6 135.92 45.64 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.31 93.7 6.6 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.369 1.067 . . . . 0.0 109.516 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.0 p -138.27 162.72 33.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.898 1.279 . . . . 0.0 112.65 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.49 74.05 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.361 -0.837 . . . . 0.0 112.226 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -67.45 -29.25 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.22 1.008 . . . . 0.0 112.092 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.04 -56.91 4.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.875 0.87 . . . . 0.0 110.653 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.34 -33.66 76.36 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.29 -21.5 65.28 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -69.27 -26.84 64.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.03 0.832 . . . . 0.0 112.466 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.65 -35.27 24.71 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.964 0.802 . . . . 0.0 111.827 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.0 -36.09 67.52 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.443 1.019 . . . . 0.0 112.275 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -68.68 -17.68 64.13 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.193 1.397 . . . . 0.0 113.8 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -81.06 -41.82 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.307 0.958 . . . . 0.0 110.84 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -87.03 -13.28 44.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.575 1.15 . . . . 0.0 113.672 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.89 27.93 48.22 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.491 1.043 . . . . 0.0 113.38 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -77.77 101.38 6.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.313 1.445 . . . . 0.0 110.768 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -83.5 46.92 1.2 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.683 1.593 . . . . 0.0 112.167 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.05 143.55 54.26 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.718 1.207 . . . . 0.0 112.369 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.33 154.79 32.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.562 0.745 . . . . 0.0 111.058 167.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.85 -33.32 55.97 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.299 1.04 . . . . 0.0 112.893 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.84 70.17 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.56 -33.72 21.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.501 0.721 . . . . 0.0 111.477 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.03 -46.15 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.038 1.29 . . . . 0.0 109.99 173.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -56.3 -34.62 66.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.637 0.775 . . . . 0.0 112.346 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -65.96 -34.47 78.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.577 1.08 . . . . 0.0 112.911 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.89 -40.36 40.12 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.624 1.102 . . . . 0.0 111.54 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.28 -37.95 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.168 0.587 . . . . 0.0 111.465 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.03 -38.44 70.55 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.083 0.953 . . . . 0.0 112.005 173.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.26 -44.3 92.16 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.036 0.834 . . . . 0.0 110.802 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.13 -34.34 76.18 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.683 0.793 . . . . 0.0 112.278 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.53 -42.12 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.787 1.235 . . . . 0.0 111.515 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -75.71 -50.27 15.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.916 1.286 . . . . 0.0 112.361 -175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -85.33 -23.4 28.09 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.725 1.21 . . . . 0.0 113.373 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 7.6 82.91 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.606 1.098 . . . . 0.0 114.081 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -93.56 147.12 23.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.574 1.55 . . . . 0.0 110.643 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -68.35 147.22 52.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -27.96 53.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.171 1.788 . . . . 0.0 115.447 -174.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.75 -31.2 62.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.133 0.973 . . . . 0.0 113.366 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.84 -25.56 60.02 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.013 0.816 . . . . 0.0 112.964 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -82.88 -52.67 6.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.252 . . . . 0.0 110.884 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -74.58 -41.83 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 112.014 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.35 34.59 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 121.726 -0.609 . . . . 0.0 113.242 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -79.91 -19.17 48.76 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.859 0.83 . . . . 0.0 112.828 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.67 -32.49 73.57 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.055 0.942 . . . . 0.0 112.032 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -46.78 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.391 1.077 . . . . 0.0 111.245 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -33.63 75.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.482 1.113 . . . . 0.0 113.098 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -67.3 -50.04 61.81 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.698 0.799 . . . . 0.0 110.78 173.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.0 m -63.37 -39.1 93.61 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.004 0.922 . . . . 0.0 113.337 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.5 p -71.16 -45.71 62.93 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.507 1.048 . . . . 0.0 112.636 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -64.59 -32.37 73.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.7 p -90.53 -26.67 19.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.418 1.087 . . . . 0.0 113.139 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 71.89 32.11 1.94 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.904 2.082 . . . . 0.0 112.514 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.62 154.55 40.24 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.551 -1.343 . . . . 0.0 113.378 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -76.47 -6.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.82 -163.43 36.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.436 1.493 . . . . 0.0 112.747 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.2 mt -111.81 139.57 47.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.033 1.333 . . . . 0.0 111.369 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -146.61 162.44 38.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.89 2.476 . . . . 0.0 108.853 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 m -55.83 -30.63 61.74 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.84 -32.88 73.72 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.707 1.203 . . . . 0.0 112.505 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.8 mt -76.59 -40.65 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.096 0.958 . . . . 0.0 109.728 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.15 -29.83 64.43 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.691 0.678 . . . . 0.0 112.3 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.51 -45.86 85.43 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.786 0.721 . . . . 0.0 111.176 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -64.33 -34.85 79.09 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.322 -0.861 . . . . 0.0 112.976 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.53 -28.13 65.16 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -56.71 -38.79 72.8 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.415 0.686 . . . . 0.0 112.367 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -88.94 -13.88 37.97 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.794 1.238 . . . . 0.0 112.781 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -88.84 -20.47 24.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.85 1.26 . . . . 0.0 112.979 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -151.32 -43.96 0.11 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.37 -37.57 83.41 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.617 1.099 . . . . 0.0 113.345 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.7 p -71.15 -19.55 62.41 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -87.15 -29.17 22.0 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.702 1.201 . . . . 0.0 113.468 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -156.03 124.15 5.73 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.034 1.334 . . . . 0.0 111.745 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.9 tp -125.7 128.76 48.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.385 2.274 . . . . 0.0 108.709 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.9 m -60.08 -19.7 54.43 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -74.07 -22.44 59.52 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.47 1.108 . . . . 0.0 113.199 173.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.15 -20.52 10.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.252 1.821 . . . . 0.0 113.974 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.97 0 C-N-CA 124.388 1.075 . . . . 0.0 113.376 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -75.82 170.26 16.56 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.21 67.16 3.13 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.24 1.016 . . . . 0.0 111.409 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.4 m -67.24 126.67 29.95 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.243 1.017 . . . . 0.0 112.846 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -25.79 67.12 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -60.5 -29.8 69.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.077 1.351 . . . . 0.0 112.097 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.51 -32.2 69.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.869 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.72 -40.68 24.91 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.105 0.962 . . . . 0.0 111.0 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.94 67.91 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.273 1.029 . . . . 0.0 113.601 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.68 -29.66 70.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.127 0.971 . . . . 0.0 113.278 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -75.19 -36.66 61.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.398 0.999 . . . . 0.0 112.022 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.4 mt -56.57 -36.08 68.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.917 1.287 . . . . 0.0 112.36 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.79 -14.7 59.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.313 1.045 . . . . 0.0 113.135 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.48 -42.46 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.499 1.045 . . . . 0.0 109.483 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -88.21 -17.94 29.75 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.0 26.38 41.31 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.707 1.146 . . . . 0.0 113.722 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.91 147.32 45.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.888 1.275 . . . . 0.0 111.741 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -105.6 8.93 33.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.749 1.62 . . . . 0.0 113.649 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.3 125.51 23.11 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.844 1.258 . . . . 0.0 112.898 -172.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.81 169.5 18.19 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.182 1.393 . . . . 0.0 112.308 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.42 -37.82 57.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.185 0.994 . . . . 0.0 112.905 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.58 63.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 113.589 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.36 -40.08 11.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.219 1.008 . . . . 0.0 110.862 168.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.92 -47.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.356 1.062 . . . . 0.0 111.322 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.85 -30.17 68.78 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -72.74 -30.36 64.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.979 -1.076 . . . . 0.0 113.14 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.13 -38.89 30.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.83 1.196 . . . . 0.0 111.623 170.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.23 -36.95 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.569 0.748 . . . . 0.0 111.013 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -54.46 -45.39 73.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.125 0.97 . . . . 0.0 111.59 171.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.92 -40.9 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.933 0.788 . . . . 0.0 111.343 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.56 -22.4 65.14 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.812 1.245 . . . . 0.0 114.243 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.11 -42.47 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.658 1.183 . . . . 0.0 111.187 173.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -73.03 -43.8 61.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.659 1.184 . . . . 0.0 113.164 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.24 -20.09 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.346 1.458 . . . . 0.0 113.615 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.98 -0.34 66.83 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.244 1.402 . . . . 0.0 114.781 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -82.21 144.54 30.61 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.101 1.36 . . . . 0.0 110.429 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -73.26 161.62 30.31 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -40.41 61.65 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.836 2.054 . . . . 0.0 115.48 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -37.61 81.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.824 0.849 . . . . 0.0 111.161 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.58 -13.64 71.54 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.816 1.198 . . . . 0.0 113.717 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 mmt -92.91 -54.55 3.7 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.318 1.047 . . . . 0.0 110.698 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.41 -39.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.273 1.029 . . . . 0.0 112.07 -171.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -42.09 54.17 Favored Glycine 0 N--CA 1.472 1.05 0 O-C-N 121.465 -0.772 . . . . 0.0 113.338 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.33 -25.6 59.65 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.789 0.836 . . . . 0.0 112.732 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.51 -35.31 80.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.402 -0.811 . . . . 0.0 112.229 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.1 mt -63.62 -45.2 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.286 1.034 . . . . 0.0 110.18 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.44 96.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.012 0.925 . . . . 0.0 111.918 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.7 -48.05 82.52 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.355 0.662 . . . . 0.0 111.942 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.25 -41.8 93.98 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.447 1.099 . . . . 0.0 112.394 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -73.95 -56.17 5.28 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.47 1.508 . . . . 0.0 112.037 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -71.57 -28.28 63.73 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 p -93.78 -9.62 36.89 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.76 0.824 . . . . 0.0 113.104 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.9 t60 72.96 47.5 0.2 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.985 2.114 . . . . 0.0 112.775 168.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.08 -39.28 65.98 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.837 -1.165 . . . . 0.0 113.004 -173.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t 62.71 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 127.502 2.321 . . . . 0.0 110.206 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.45 177.0 35.79 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.848 1.213 . . . . 0.0 113.867 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 mt -132.81 149.48 52.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.91 1.684 . . . . 0.0 111.345 -172.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.0 p -146.04 168.66 20.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.737 2.015 . . . . 0.0 110.094 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -61.71 -28.14 69.21 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -73.41 -37.92 65.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.636 1.174 . . . . 0.0 111.505 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.73 -40.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.13 -0.981 . . . . 0.0 110.452 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.72 -29.36 66.73 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.079 -1.013 . . . . 0.0 113.183 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -66.34 -29.93 70.22 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 118.955 0.798 . . . . 0.0 111.95 167.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 m -80.16 -29.76 38.82 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.764 -1.21 . . . . 0.0 112.869 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.12 -32.66 71.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.38 -34.73 77.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.202 -0.936 . . . . 0.0 112.171 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -79.74 -21.44 44.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.213 1.005 . . . . 0.0 112.846 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -77.36 -45.72 25.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.984 1.314 . . . . 0.0 112.16 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -129.6 -47.25 1.17 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -172.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.49 -41.8 83.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.324 0.965 . . . . 0.0 111.552 -171.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -68.2 -32.05 72.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -88.34 -62.11 1.56 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -94.13 -25.57 17.08 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -158.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.44 123.06 23.99 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.849 0.75 . . . . 0.0 110.774 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.9 p -69.17 -17.99 63.88 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -83.62 -19.43 35.48 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.976 1.31 . . . . 0.0 113.589 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.53 -34.59 17.34 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.622 1.169 . . . . 0.0 113.447 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 124.747 1.219 . . . . 0.0 113.752 178.587 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB3' ' HA ' ' A' ' 2' ' ' SER 0.306 1.1 tmt? . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 117.513 -1.232 . . . . 0.0 111.368 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 60.8 m -143.14 140.29 30.76 Favored 'General case' 0 N--CA 1.48 1.03 1 C-N-CA 133.139 4.575 . . . . 0.0 110.388 -0.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.1 59.39 3.84 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.83 1.252 . . . . 0.0 111.126 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 m -58.54 127.05 30.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.497 1.119 . . . . 0.0 113.374 -170.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.5 66.53 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.03 1.332 . . . . 0.0 114.578 -169.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -60.65 -27.84 68.11 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 112.832 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.69 -39.97 69.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.533 0.733 . . . . 0.0 111.12 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tt -77.9 -47.21 19.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.274 1.03 . . . . 0.0 110.298 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.65 -38.62 67.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.371 1.469 . . . . 0.0 113.676 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.21 -30.72 67.89 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.628 0.771 . . . . 0.0 112.801 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -72.73 -33.09 66.18 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.83 0.741 . . . . 0.0 112.601 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.2 mt -51.23 -49.2 61.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.081 1.352 . . . . 0.0 112.222 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.45 -22.47 64.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.797 0.839 . . . . 0.0 113.156 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.1 mt -66.85 -37.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 O-C-N 121.336 -0.852 . . . . 0.0 110.159 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.33 -3.51 57.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.345 1.458 . . . . 0.0 113.401 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.6 11.35 81.96 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.594 1.093 . . . . 0.0 114.58 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.34 162.9 25.28 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.763 1.225 . . . . 0.0 110.459 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -157.43 140.64 15.39 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.742 1.217 . . . . 0.0 111.179 171.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.4 m -143.28 151.26 40.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.363 1.865 . . . . 0.0 110.552 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -77.04 164.72 25.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.113 0.565 . . . . 0.0 111.136 163.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.7 -36.9 65.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.572 0.749 . . . . 0.0 112.171 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.23 65.84 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.95 -31.59 18.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.886 0.874 . . . . 0.0 111.836 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.44 -43.87 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.662 1.119 . . . . 0.0 110.221 169.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.34 -36.73 66.61 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.193 0.997 . . . . 0.0 112.083 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -63.59 -38.83 92.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.242 0.928 . . . . 0.0 112.2 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.19 -36.69 47.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.798 1.181 . . . . 0.0 111.596 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.107 0.867 . . . . 0.0 111.541 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.49 -43.42 84.1 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.655 -0.653 . . . . 0.0 111.302 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.37 -42.38 99.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.076 0.853 . . . . 0.0 111.34 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.13 -34.26 71.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.846 0.858 . . . . 0.0 112.474 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.71 -45.32 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.536 1.135 . . . . 0.0 111.648 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.84 -35.29 67.23 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.49 -18.85 18.77 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.755 1.222 . . . . 0.0 113.132 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 8.18 73.74 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.052 1.311 . . . . 0.0 114.532 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -94.94 153.47 17.65 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.746 1.618 . . . . 0.0 111.185 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.2 140.14 57.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.028 1.331 . . . . 0.0 112.732 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -61.1 -20.25 62.41 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.874 1.67 . . . . 0.0 114.601 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.78 -29.54 64.93 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.43 1.092 . . . . 0.0 112.218 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.25 -43.82 37.34 Favored Glycine 0 C--N 1.345 1.063 0 O-C-N 121.259 -0.901 . . . . 0.0 112.085 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -66.66 -39.69 88.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.209 1.404 . . . . 0.0 111.741 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.66 -40.65 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.512 1.125 . . . . 0.0 111.218 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.48 -49.65 6.58 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 124.401 1.0 . . . . 0.0 114.112 -170.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.53 -20.35 62.82 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.656 1.228 . . . . 0.0 112.751 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.31 -29.6 70.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 112.328 173.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.11 -48.78 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 0.0 110.11 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.07 86.62 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 111.607 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.12 -50.82 66.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.426 0.69 . . . . 0.0 111.312 174.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.4 m -63.71 -33.15 74.99 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.736 0.814 . . . . 0.0 112.845 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -68.24 -46.04 71.58 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 110.12 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -63.09 -42.94 99.71 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.309 1.044 . . . . 0.0 113.708 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.0 p -79.24 -17.02 55.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.062 0.945 . . . . 0.0 113.358 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . 0.291 9.2 p-80 61.23 10.29 2.94 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.929 2.892 . . . . 0.0 115.319 -176.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.49 126.19 28.86 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.421 -1.424 . . . . 0.0 110.876 170.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.84 -8.91 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 124.517 1.127 . . . . 0.0 113.742 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.83 158.82 14.46 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 125.562 1.553 . . . . 0.0 112.784 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.39 141.31 41.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.609 1.563 . . . . 0.0 111.083 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -143.56 161.27 38.91 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.622 1.969 . . . . 0.0 109.773 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.63 -31.24 62.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.989 0.915 . . . . 0.0 113.468 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.87 -35.79 79.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.946 0.898 . . . . 0.0 112.088 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.26 -41.75 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.036 0.934 . . . . 0.0 110.27 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.58 -25.54 63.11 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.946 0.794 . . . . 0.0 112.958 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -71.59 -46.42 59.35 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.07 0.85 . . . . 0.0 111.045 166.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.7 m -65.16 -28.16 69.22 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.923 -1.111 . . . . 0.0 112.973 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.22 -29.35 65.64 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.8 1.24 . . . . 0.0 113.608 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.17 -47.81 83.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.326 0.65 . . . . 0.0 110.878 171.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -72.98 -18.93 61.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.914 0.885 . . . . 0.0 112.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -82.81 -18.42 40.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.157 1.383 . . . . 0.0 113.585 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -154.87 -60.64 0.12 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.925 0.784 . . . . 0.0 113.014 -175.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.11 -40.65 94.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.678 0.672 . . . . 0.0 112.344 -168.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.6 m -78.2 -18.85 54.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -70.67 -51.02 30.5 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.212 -0.93 . . . . 0.0 111.634 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 173.31 132.98 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.743 2.817 . . . . 0.0 110.095 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 tp -72.41 152.19 42.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.431 1.092 . . . . 0.0 110.887 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 p -75.91 7.57 3.87 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.394 1.478 . . . . 0.0 114.105 174.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -147.8 153.97 39.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 128.044 2.538 . . . . 0.0 110.475 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.84 84.54 1.22 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.553 1.141 . . . . 0.0 111.508 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 . . . . . 0 C--O 1.255 1.352 0 C-N-CA 126.731 2.012 . . . . 0.0 113.375 178.559 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 tpp . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -79.27 82.48 5.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.86 0.864 . . . . 0.0 111.392 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.53 107.69 16.95 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.044 1.338 . . . . 0.0 111.362 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -113.99 147.31 38.83 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.977 1.311 . . . . 0.0 110.814 163.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -28.58 66.49 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.517 1.127 . . . . 0.0 113.6 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.14 -21.39 66.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.257 1.023 . . . . 0.0 113.649 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -82.76 -56.34 3.9 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.127 0.971 . . . . 0.0 109.764 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.46 -40.28 93.01 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.625 1.17 . . . . 0.0 111.873 -167.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -21.05 63.91 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.04 -33.76 72.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.368 -0.832 . . . . 0.0 111.58 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -77.51 -39.27 46.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.387 0.675 . . . . 0.0 111.622 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.33 -33.67 65.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.081 0.952 . . . . 0.0 112.795 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -73.62 -17.25 61.19 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.045 1.338 . . . . 0.0 113.455 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.8 mt -79.62 -44.95 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.388 0.994 . . . . 0.0 109.81 172.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.24 -10.89 51.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.025 1.33 . . . . 0.0 113.739 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 25.01 60.95 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.35 0.976 . . . . 0.0 113.299 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -77.02 107.0 9.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.55 1.14 . . . . 0.0 109.728 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.99 43.51 0.7 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.495 1.918 . . . . 0.0 113.624 -167.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.38 131.08 40.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.853 -1.154 . . . . 0.0 111.812 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.45 170.24 16.51 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.05 0.54 . . . . 0.0 111.153 160.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -49.29 -40.4 34.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.637 1.175 . . . . 0.0 113.862 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.29 64.14 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.23 -34.89 18.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.245 1.018 . . . . 0.0 111.7 172.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.52 -45.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.894 1.224 . . . . 0.0 110.666 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -57.25 -25.7 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -67.87 -42.76 80.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 120.097 1.317 . . . . 0.0 112.711 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.25 -36.59 77.29 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.258 0.936 . . . . 0.0 111.0 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.24 -42.27 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.005 0.522 . . . . 0.0 111.381 171.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.51 -47.34 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.918 0.887 . . . . 0.0 111.565 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.74 -43.41 69.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.16 0.891 . . . . 0.0 111.319 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.66 -25.57 68.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.8 t -87.71 -40.97 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.566 1.146 . . . . 0.0 111.037 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -74.72 -47.45 31.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.782 1.233 . . . . 0.0 112.136 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -93.67 -22.92 18.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.32 1.448 . . . . 0.0 113.229 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.97 70.64 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.275 1.417 . . . . 0.0 114.933 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -75.0 147.2 40.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.415 1.086 . . . . 0.0 110.571 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.76 149.2 49.29 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -48.33 -33.4 8.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.509 1.924 . . . . 0.0 115.209 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.71 -34.64 76.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.253 1.021 . . . . 0.0 112.092 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.69 -41.46 50.29 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 123.712 0.672 . . . . 0.0 111.936 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -62.7 -50.98 68.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.784 0.834 . . . . 0.0 111.232 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.08 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.388 0.675 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.11 35.48 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 118.54 0.609 . . . . 0.0 113.657 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -76.08 -23.62 55.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.259 1.03 . . . . 0.0 113.295 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.99 -34.18 77.81 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.671 0.789 . . . . 0.0 112.13 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.07 -45.35 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.027 0.931 . . . . 0.0 110.708 178.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.59 96.37 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.53 0.732 . . . . 0.0 111.843 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -67.47 -44.5 78.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.045 0.538 . . . . 0.0 112.382 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.02 -38.3 85.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.042 0.837 . . . . 0.0 112.436 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -65.85 -48.27 72.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.988 1.315 . . . . 0.0 111.001 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -72.26 -35.98 68.91 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -78.86 -26.78 44.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.434 0.694 . . . . 0.0 111.911 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 75.62 12.79 3.04 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.418 2.287 . . . . 0.0 114.45 162.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.47 151.56 45.91 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.039 -1.663 . . . . 0.0 112.654 173.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 71.5 t -81.81 123.19 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.119 0.967 . . . . 0.0 108.804 172.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.7 -162.62 53.68 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.405 1.002 . . . . 0.0 113.095 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.28 158.19 38.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.961 1.304 . . . . 0.0 111.961 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.4 p -137.93 164.85 27.98 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.487 1.915 . . . . 0.0 110.82 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -57.49 -28.54 63.5 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -73.94 -40.14 63.27 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.455 1.102 . . . . 0.0 111.95 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.01 -46.47 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.793 0.724 . . . . 0.0 110.37 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.56 -31.65 71.87 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.02 -46.62 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.039 0.836 . . . . 0.0 111.322 170.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.2 m -66.67 -30.79 71.14 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.342 -0.849 . . . . 0.0 113.115 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.6 -31.5 66.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.311 1.044 . . . . 0.0 113.578 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -57.07 -41.74 79.34 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.584 0.754 . . . . 0.0 111.524 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -85.29 -11.73 54.06 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.402 1.081 . . . . 0.0 112.717 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -95.09 -18.41 21.01 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.112 1.365 . . . . 0.0 113.666 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -147.72 -50.0 0.18 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.06 -66.33 0.56 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -73.01 -16.0 61.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.768 0.827 . . . . 0.0 112.769 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -63.73 -56.35 16.33 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.38 172.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -77.56 -39.85 44.42 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.381 1.472 . . . . 0.0 112.901 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 tp -85.55 108.02 17.75 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.625 0.77 . . . . 0.0 111.112 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 p -72.58 -18.43 61.61 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.52 -26.47 64.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.944 1.298 . . . . 0.0 113.148 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.16 -18.71 45.35 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.19 1.396 . . . . 0.0 113.76 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.2 mtm105 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.582 1.553 . . . . 0.0 112.89 178.409 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -84.69 50.91 2.0 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.768 1.227 . . . . 0.0 112.496 -174.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.61 75.26 3.3 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.144 1.378 . . . . 0.0 111.629 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -61.19 136.08 57.95 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.996 -1.065 . . . . 0.0 112.276 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.2 -33.24 67.29 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -68.14 -30.87 70.1 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.218 1.007 . . . . 0.0 112.481 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.0 -36.24 59.26 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.302 -0.874 . . . . 0.0 110.939 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.17 -43.61 73.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 110.301 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -33.96 74.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.947 0.899 . . . . 0.0 113.308 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -64.77 -35.38 80.9 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.624 -0.673 . . . . 0.0 111.603 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.76 -37.04 70.55 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.141 -0.974 . . . . 0.0 111.945 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -53.36 -42.4 66.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.474 1.034 . . . . 0.0 111.136 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.27 -28.18 69.16 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.045 0.938 . . . . 0.0 112.793 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.6 -39.49 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.2 -0.938 . . . . 0.0 111.682 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -85.48 -7.91 58.65 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.56 15.17 78.67 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.771 1.177 . . . . 0.0 114.06 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -76.95 164.4 25.82 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.712 1.605 . . . . 0.0 111.613 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.01 131.41 12.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.602 1.561 . . . . 0.0 110.048 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -138.46 149.72 45.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.672 1.589 . . . . 0.0 110.812 -175.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -74.84 163.94 27.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.23 0.612 . . . . 0.0 111.142 165.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -51.45 -40.71 59.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.446 1.099 . . . . 0.0 111.996 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.2 66.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -90.86 -33.57 15.61 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.143 0.977 . . . . 0.0 111.772 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.3 -47.5 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 120.661 -1.275 . . . . 0.0 109.794 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -56.94 -34.77 68.34 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.305 1.042 . . . . 0.0 112.431 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.71 -44.26 96.67 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.939 1.245 . . . . 0.0 112.477 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.03 -35.18 59.6 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.249 0.931 . . . . 0.0 112.168 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.31 -41.51 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 118.838 0.744 . . . . 0.0 110.95 171.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.64 -38.01 77.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.638 0.775 . . . . 0.0 111.842 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.19 -45.8 90.04 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.559 1.072 . . . . 0.0 110.583 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.07 -39.67 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.434 0.694 . . . . 0.0 111.791 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.02 -42.05 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.356 1.462 . . . . 0.0 112.026 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.37 -51.46 13.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.079 0.952 . . . . 0.0 112.49 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -85.57 -20.28 29.81 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.47 1.108 . . . . 0.0 113.559 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 27.56 73.6 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 123.709 0.671 . . . . 0.0 112.905 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -105.97 146.4 30.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.154 1.782 . . . . 0.0 108.685 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -68.02 158.51 32.73 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.207 1.003 . . . . 0.0 113.663 -173.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.74 -32.64 73.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.128 1.771 . . . . 0.0 113.369 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.21 -29.51 70.33 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.349 -0.844 . . . . 0.0 112.634 172.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 -15.71 81.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.833 1.206 . . . . 0.0 112.895 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 mmt -87.6 -63.77 1.25 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.235 1.018 . . . . 0.0 110.255 165.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.05 -36.64 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.992 1.317 . . . . 0.0 112.882 -166.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.81 -39.9 19.3 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 118.6 0.636 . . . . 0.0 113.036 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -75.21 -26.75 59.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.54 0.736 . . . . 0.0 112.165 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.78 -31.06 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.336 1.055 . . . . 0.0 112.711 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.47 -45.92 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.098 0.959 . . . . 0.0 110.988 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.32 93.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.484 0.714 . . . . 0.0 111.803 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.49 -49.12 72.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.897 0.879 . . . . 0.0 112.04 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.1 -36.1 80.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -69.38 -48.85 59.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.666 1.186 . . . . 0.0 110.998 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.5 p -69.57 -33.17 72.35 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -81.77 -24.56 35.93 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.256 1.022 . . . . 0.0 112.919 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 79.63 24.62 0.44 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.117 2.567 . . . . 0.0 112.413 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.21 148.18 45.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.476 1.11 . . . . 0.0 112.638 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.43 123.73 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.489 1.516 . . . . 0.0 108.289 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 174.05 43.46 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.1 0.857 . . . . 0.0 113.481 -174.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 mp -134.65 158.34 44.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.569 1.547 . . . . 0.0 110.298 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -173.64 171.78 3.76 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.794 2.838 . . . . 0.0 108.071 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.2 p -54.76 -31.16 58.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.69 -31.06 72.11 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.304 1.042 . . . . 0.0 113.132 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.9 -49.45 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.054 0.941 . . . . 0.0 108.863 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.19 -30.85 68.07 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.73 -32.07 71.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.558 0.743 . . . . 0.0 112.212 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 m -74.12 -34.67 63.98 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.068 -1.02 . . . . 0.0 111.903 172.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -62.08 -31.32 71.74 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.874 -1.141 . . . . 0.0 113.604 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.57 -49.14 77.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.599 0.76 . . . . 0.0 111.266 169.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.5 -23.48 60.04 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.691 1.196 . . . . 0.0 112.903 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -74.71 -24.99 58.84 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.776 1.63 . . . . 0.0 113.286 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -152.68 -50.77 0.1 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -169.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.68 -44.54 49.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.819 0.736 . . . . 0.0 112.099 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -72.48 -38.73 68.11 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -98.88 -6.31 29.24 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 -169.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -151.58 -39.06 0.12 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.6 tp 67.84 -45.67 0.5 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 127.601 2.36 . . . . 0.0 114.532 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m 83.05 5.95 0.84 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.528 2.731 . . . . 0.0 114.262 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -87.24 -160.47 0.6 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.613 1.165 . . . . 0.0 111.56 168.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.79 -13.32 61.66 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.044 0 C-N-CA 125.701 1.6 . . . . 0.0 110.405 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 tpp . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -78.11 164.95 24.54 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -172.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.82 -18.61 63.46 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 t 79.2 124.51 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 128.247 2.619 . . . . 0.0 114.081 170.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.18 83.52 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.861 0.865 . . . . 0.0 112.378 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.62 -32.45 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.934 0.894 . . . . 0.0 111.489 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -72.44 -44.74 61.97 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.053 0.541 . . . . 0.0 110.709 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.09 -39.87 95.0 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.717 0.69 . . . . 0.0 112.141 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.6 -22.45 63.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -66.6 -26.48 67.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.552 0.741 . . . . 0.0 112.601 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.9 -39.86 17.71 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.954 0.902 . . . . 0.0 112.535 172.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.9 -43.03 63.18 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.5 1.046 . . . . 0.0 112.674 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.85 -18.84 65.57 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.056 1.343 . . . . 0.0 114.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.98 -40.65 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.254 -0.904 . . . . 0.0 110.23 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.04 -6.48 59.32 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 113.4 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.55 74.11 Favored Glycine 0 N--CA 1.476 1.302 0 C-N-CA 124.582 1.087 . . . . 0.0 113.573 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.86 133.53 40.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.845 1.258 . . . . 0.0 110.553 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -114.41 121.76 44.55 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.147 1.379 . . . . 0.0 110.475 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -143.26 164.16 30.98 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.58 1.552 . . . . 0.0 111.542 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -108.64 168.95 8.97 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.304 1.442 . . . . 0.0 110.766 165.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -51.84 -39.92 59.67 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.504 1.122 . . . . 0.0 112.628 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.3 68.46 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.77 -35.56 22.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.442 0.697 . . . . 0.0 111.114 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.07 -43.46 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.454 1.101 . . . . 0.0 111.607 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.7 -37.43 65.81 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.382 0.673 . . . . 0.0 111.775 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -60.94 -30.51 70.27 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.19 -0.944 . . . . 0.0 113.404 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.99 -39.71 19.35 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.575 1.079 . . . . 0.0 111.842 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -58.4 -38.4 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 118.81 0.732 . . . . 0.0 110.953 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -56.92 -42.34 79.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.048 0.939 . . . . 0.0 112.29 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.73 -46.37 82.55 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.628 1.104 . . . . 0.0 110.776 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.6 m -56.28 -39.3 72.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.425 0.69 . . . . 0.0 112.026 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -79.86 -43.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.028 1.331 . . . . 0.0 111.914 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -69.9 -43.07 72.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.171 0.989 . . . . 0.0 111.827 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -89.83 -17.18 28.62 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.56 1.144 . . . . 0.0 113.014 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.17 53.38 9.18 Favored Glycine 0 C--N 1.343 0.961 0 C-N-CA 124.077 0.846 . . . . 0.0 111.234 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -142.76 150.75 40.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.502 1.121 . . . . 0.0 111.044 -161.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.02 138.34 42.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.137 0.975 . . . . 0.0 112.52 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -62.31 -20.23 64.12 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.104 1.761 . . . . 0.0 115.63 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.0 -32.58 71.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.289 0.949 . . . . 0.0 112.428 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.19 -44.57 43.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 121.642 -0.661 . . . . 0.0 111.859 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -62.66 -45.08 94.47 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 111.587 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.77 -42.73 47.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 118.559 0.618 . . . . 0.0 111.768 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.17 -48.12 54.89 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.687 0.676 . . . . 0.0 113.844 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.56 -21.07 59.7 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.08 -32.85 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.096 0.958 . . . . 0.0 112.218 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.5 -47.72 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.491 1.117 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.85 84.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.667 0.387 . . . . 0.0 111.615 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -64.33 -52.04 60.41 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.271 1.028 . . . . 0.0 112.052 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.0 p -72.37 -29.51 63.85 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -74.27 -46.47 41.2 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.381 174.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -67.38 -25.24 65.86 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -173.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -82.24 -19.57 39.39 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.534 1.134 . . . . 0.0 112.862 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 74.95 4.92 4.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.191 2.596 . . . . 0.0 113.896 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 135.82 54.75 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.525 -1.359 . . . . 0.0 110.982 174.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -76.61 138.81 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.773 0.829 . . . . 0.0 111.314 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.33 -162.17 53.25 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.666 0.65 . . . . 0.0 114.241 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 mt -136.97 142.52 42.6 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.722 1.609 . . . . 0.0 110.456 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.3 p -142.67 157.4 44.72 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.872 2.069 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -54.11 -30.41 48.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -170.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.13 -37.58 87.9 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 112.429 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.41 -45.56 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.205 1.002 . . . . 0.0 109.953 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.68 -30.47 70.73 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.764 -0.585 . . . . 0.0 112.572 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -72.41 -42.24 65.35 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.675 0.671 . . . . 0.0 112.185 172.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.6 m -64.06 -33.45 75.79 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.443 -0.786 . . . . 0.0 112.424 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -54.58 -27.26 37.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.77 -34.05 71.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.573 0.749 . . . . 0.0 112.452 174.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -80.15 -29.05 38.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.959 0.903 . . . . 0.0 112.642 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -78.66 -17.64 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -149.11 -48.14 0.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.5 -44.79 56.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -168.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.4 p -66.13 -23.5 66.5 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -74.96 -39.42 61.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.849 1.26 . . . . 0.0 111.65 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -83.35 -37.58 23.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.87 1.268 . . . . 0.0 113.67 -167.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.7 tp -68.48 119.67 13.32 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.942 0.792 . . . . 0.0 111.337 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -88.79 -13.68 38.85 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -83.46 133.11 34.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.881 1.272 . . . . 0.0 111.931 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.44 48.3 1.49 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.777 1.631 . . . . 0.0 111.818 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 126.094 1.758 . . . . 0.0 113.023 -174.313 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -84.22 146.6 27.72 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -172.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.42 56.6 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 t 82.59 146.65 0.08 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 128.632 2.773 . . . . 0.0 113.141 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.67 66.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.43 1.092 . . . . 0.0 112.035 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.39 -25.98 67.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.668 1.187 . . . . 0.0 112.749 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -90.97 -41.22 11.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.915 0.886 . . . . 0.0 111.358 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.83 -43.02 80.53 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.683 0.793 . . . . 0.0 112.397 -176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -25.84 67.65 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.67 -30.58 70.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.12 0.968 . . . . 0.0 112.806 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -72.21 -27.79 62.76 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.52 -35.59 70.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.851 1.26 . . . . 0.0 112.809 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -67.81 -23.01 65.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.446 1.099 . . . . 0.0 113.071 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.83 -39.3 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.05 0.94 . . . . 0.0 110.138 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -89.33 -9.87 48.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.505 1.522 . . . . 0.0 113.593 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 18.57 71.93 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.369 0.985 . . . . 0.0 113.952 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.5 163.38 22.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.956 1.703 . . . . 0.0 111.96 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -156.87 136.53 12.36 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.574 1.549 . . . . 0.0 110.716 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -154.99 156.36 35.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.629 1.972 . . . . 0.0 110.811 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -80.86 163.32 23.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 164.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.85 -39.48 62.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.969 0.908 . . . . 0.0 112.399 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.36 67.77 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -88.52 -35.08 17.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 0.0 111.758 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -61.25 -42.1 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.234 1.014 . . . . 0.0 110.692 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.88 -30.25 61.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.871 0.869 . . . . 0.0 113.308 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.67 -52.46 65.36 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.358 1.436 . . . . 0.0 111.156 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 27' ' ' LEU . 1.9 mm? -65.07 -31.45 72.67 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.662 0.664 . . . . 0.0 111.356 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.68 -41.56 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.56 171.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -57.49 -46.29 83.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.778 1.172 . . . . 0.0 111.126 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.19 -49.7 68.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.664 0.666 . . . . 0.0 112.407 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 p -63.63 -30.14 71.29 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.259 0.936 . . . . 0.0 113.145 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.28 -42.1 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.666 1.186 . . . . 0.0 111.621 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.5 -50.28 18.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.578 0.751 . . . . 0.0 112.386 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.51 -16.48 42.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.54 1.136 . . . . 0.0 113.448 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.59 3.75 83.69 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.846 1.212 . . . . 0.0 114.236 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -74.08 133.26 42.87 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 109.611 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.01 139.29 56.32 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.627 -0.67 . . . . 0.0 110.979 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -24.66 63.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -153.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -64.62 -27.23 68.8 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.542 1.064 . . . . 0.0 112.271 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.45 -36.52 38.55 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.435 1.016 . . . . 0.0 111.467 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.8 tpp -66.34 -45.23 80.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.412 1.106 . . . . 0.0 111.139 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.31 -39.26 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.805 1.242 . . . . 0.0 111.508 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.24 -40.09 50.5 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.139 0.876 . . . . 0.0 113.684 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.91 -32.2 73.8 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.679 1.24 . . . . 0.0 112.425 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.42 -31.71 70.66 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.728 1.211 . . . . 0.0 113.264 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.83 -42.61 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.495 1.118 . . . . 0.0 111.368 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.26 82.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.886 0.874 . . . . 0.0 112.199 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.53 -50.65 66.52 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.803 0.841 . . . . 0.0 111.151 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.71 -35.23 79.07 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.656 0.782 . . . . 0.0 113.071 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.5 m -65.65 -42.48 91.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.224 1.01 . . . . 0.0 110.949 174.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -68.34 -36.33 79.09 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -82.8 -27.18 31.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.115 0.87 . . . . 0.0 112.873 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 80.38 -1.93 1.94 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.55 2.74 . . . . 0.0 112.954 174.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -70.98 142.59 50.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.06 -1.65 . . . . 0.0 111.725 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.5 t -90.06 137.52 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.194 1.397 . . . . 0.0 110.373 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.37 -172.58 53.84 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.293 0.949 . . . . 0.0 114.046 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 mt -135.17 153.52 51.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.197 1.799 . . . . 0.0 110.979 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -170.8 161.31 7.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.746 2.018 . . . . 0.0 109.756 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -58.41 -28.07 64.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.591 1.157 . . . . 0.0 113.66 -171.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.62 -36.25 80.47 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.943 0.897 . . . . 0.0 111.889 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.7 mt -78.32 -41.18 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.425 1.09 . . . . 0.0 109.935 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.52 -35.58 81.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -69.52 -44.97 69.92 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.485 0.584 . . . . 0.0 112.25 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 p -72.62 -25.52 61.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.158 -0.963 . . . . 0.0 113.449 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -60.82 -35.39 76.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.166 -0.959 . . . . 0.0 113.345 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.37 -37.11 77.07 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.614 -0.679 . . . . 0.0 112.107 170.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -88.78 -19.27 26.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -171.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -17.29 51.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -158.69 -46.39 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.2 -48.04 74.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.612 1.096 . . . . 0.0 112.195 -170.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -68.47 -17.35 64.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.45 1.1 . . . . 0.0 113.227 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -75.1 -4.67 39.94 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 120.809 -1.182 . . . . 0.0 113.05 172.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 89.24 138.73 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 131.359 3.864 . . . . 0.0 110.059 -175.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.8 tp -77.04 83.37 3.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.295 1.438 . . . . 0.0 110.736 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.2 p -64.58 -15.35 60.93 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -74.85 -15.08 60.74 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.528 1.531 . . . . 0.0 112.993 172.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.99 -29.93 5.15 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.785 1.634 . . . . 0.0 114.05 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.536 1.534 . . . . 0.0 112.988 -179.41 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.1 mtp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -163.77 172.96 13.41 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.919 1.288 . . . . 0.0 111.373 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.96 -20.99 60.94 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.516 1.126 . . . . 0.0 114.024 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.0 t 82.76 121.79 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 128.939 2.896 . . . . 0.0 112.104 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.68 96.98 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.961 0.904 . . . . 0.0 111.81 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.21 -38.72 92.04 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.84 0.856 . . . . 0.0 111.608 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.574 0.749 . . . . 0.0 111.884 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.4 -42.44 92.57 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.575 0.75 . . . . 0.0 111.133 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.37 -26.59 66.55 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.51 -42.22 95.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.966 0.803 . . . . 0.0 110.748 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.21 -37.07 80.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.425 -0.798 . . . . 0.0 112.73 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.52 -50.75 62.22 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.581 1.082 . . . . 0.0 110.866 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -69.56 -24.5 63.72 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.049 0.94 . . . . 0.0 113.338 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.1 -38.44 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 119.88 1.218 . . . . 0.0 111.419 171.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -87.21 -2.52 58.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.603 1.161 . . . . 0.0 113.62 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 11.08 67.35 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.634 1.588 . . . . 0.0 114.916 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp -79.08 152.56 30.77 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 109.987 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -148.44 134.92 19.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.956 1.303 . . . . 0.0 111.061 -175.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 m -148.48 161.76 40.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.735 1.614 . . . . 0.0 112.49 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -88.38 162.92 16.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.33 1.052 . . . . 0.0 110.887 159.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.42 -35.47 60.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.612 1.165 . . . . 0.0 112.759 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.18 -24.52 64.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.238 1.015 . . . . 0.0 113.368 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -87.8 -34.05 18.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.609 0.764 . . . . 0.0 111.99 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.88 -45.0 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.064 0.946 . . . . 0.0 111.297 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.69 -26.89 67.45 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.9 -41.65 92.1 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.047 -1.033 . . . . 0.0 111.883 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -35.33 66.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.277 0.631 . . . . 0.0 111.939 176.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.76 -42.77 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.354 0.525 . . . . 0.0 110.485 172.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.95 -32.76 73.22 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.825 0.739 . . . . 0.0 112.891 173.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.21 -48.85 71.93 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.433 1.47 . . . . 0.0 110.4 171.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.19 -40.68 67.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 111.859 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.71 -43.24 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 111.901 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.61 -42.99 63.89 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.164 0.893 . . . . 0.0 112.475 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -85.23 -15.34 43.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.201 1.0 . . . . 0.0 113.326 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 46.73 40.54 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.478 1.037 . . . . 0.0 111.309 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -134.22 157.55 45.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.196 1.398 . . . . 0.0 111.174 -164.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -67.62 149.25 50.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.576 1.55 . . . . 0.0 111.807 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -31.27 72.38 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.367 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.34 -21.38 66.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.38 1.072 . . . . 0.0 113.113 175.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.68 -50.56 5.23 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.251 0.929 . . . . 0.0 111.28 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -36.38 83.93 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.778 1.231 . . . . 0.0 112.061 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.67 -45.76 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.735 0.814 . . . . 0.0 110.935 170.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.56 97.41 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.001 0.819 . . . . 0.0 114.086 -171.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -72.84 -25.88 61.27 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.241 1.021 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.56 -30.68 68.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.89 -48.36 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 118.65 0.659 . . . . 0.0 110.407 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.58 88.98 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.585 0.754 . . . . 0.0 111.866 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -65.29 -46.23 81.26 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.029 0.532 . . . . 0.0 111.47 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.1 m -62.17 -41.58 98.45 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.443 -0.786 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -66.47 -49.39 66.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.579 1.152 . . . . 0.0 111.339 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -69.57 -30.17 67.88 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.4 p -82.88 -22.89 33.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.681 0.793 . . . . 0.0 112.728 172.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 79.56 -0.66 2.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 128.207 2.603 . . . . 0.0 113.135 173.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -72.36 117.98 14.68 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.268 -1.52 . . . . 0.0 111.241 175.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.11 143.76 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.821 0.848 . . . . 0.0 110.355 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 -173.36 55.05 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.766 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -144.06 160.38 40.98 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.9 1.68 . . . . 0.0 111.919 -172.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -173.12 156.39 3.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.684 2.394 . . . . 0.0 109.137 -172.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.57 -31.07 61.87 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -165.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.14 -34.03 77.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.245 1.018 . . . . 0.0 112.291 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.04 -45.04 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.696 0.798 . . . . 0.0 109.625 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.4 -30.01 68.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.072 0.851 . . . . 0.0 113.041 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -65.64 -47.65 74.85 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.432 0.693 . . . . 0.0 111.373 168.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.4 m -64.7 -34.14 77.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.136 -0.978 . . . . 0.0 113.074 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.03 -31.96 67.5 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.139 1.375 . . . . 0.0 113.564 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -40.79 94.22 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.757 0.708 . . . . 0.0 111.795 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -80.61 -21.52 41.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.002 0.921 . . . . 0.0 113.072 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -72.51 -27.44 62.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.579 1.152 . . . . 0.0 112.854 -177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -156.02 -44.27 0.08 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.42 -37.72 85.85 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.192 0.906 . . . . 0.0 113.268 -167.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.8 p -73.16 -18.98 61.21 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.94 -34.7 62.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.341 1.056 . . . . 0.0 113.248 -174.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 175.92 135.32 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.53 2.332 . . . . 0.0 111.477 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 tp -93.51 102.64 14.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.972 1.309 . . . . 0.0 108.104 162.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 p -68.78 -9.97 53.97 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -177.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -74.32 -25.82 59.79 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.609 1.164 . . . . 0.0 112.42 168.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.32 -34.3 6.85 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.596 1.558 . . . . 0.0 113.664 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.191 1.797 . . . . 0.0 112.091 -176.165 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -85.45 28.08 0.78 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -171.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.87 53.56 1.69 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.093 2.157 . . . . 0.0 112.824 -173.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m -61.41 148.8 40.44 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.667 1.187 . . . . 0.0 113.512 -174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.68 67.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -174.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.11 -24.49 65.03 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.977 0.911 . . . . 0.0 112.839 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -84.17 -43.76 14.64 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.472 -0.768 . . . . 0.0 110.457 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.94 -45.46 81.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.554 0.742 . . . . 0.0 111.373 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -26.25 68.35 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.15 -35.45 78.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.166 0.586 . . . . 0.0 111.309 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -72.59 -35.47 67.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.478 0.711 . . . . 0.0 112.592 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -52.26 -41.77 63.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.835 0.854 . . . . 0.0 111.965 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.83 -16.27 61.6 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -75.34 -41.01 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.256 0.935 . . . . 0.0 110.882 174.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -84.19 -14.76 49.23 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.811 1.245 . . . . 0.0 113.606 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.94 58.41 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.689 1.137 . . . . 0.0 113.704 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.14 143.34 48.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.807 1.243 . . . . 0.0 110.119 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -125.56 121.95 35.12 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.275 1.43 . . . . 0.0 110.439 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 m -144.11 141.82 30.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.642 1.577 . . . . 0.0 110.603 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.67 167.43 21.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.664 0.785 . . . . 0.0 110.792 164.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -53.99 -37.48 64.05 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.771 -0.581 . . . . 0.0 112.554 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -25.11 65.24 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -89.46 -32.13 17.37 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.186 0.994 . . . . 0.0 111.871 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.04 -46.98 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.049 1.295 . . . . 0.0 109.705 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.37 -32.64 68.76 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.606 0.762 . . . . 0.0 112.362 171.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -65.25 -36.49 84.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 120.038 1.29 . . . . 0.0 113.045 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.79 -38.23 47.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.873 1.215 . . . . 0.0 111.884 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.25 -38.72 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.933 0.788 . . . . 0.0 111.232 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.92 -48.85 66.97 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.761 1.225 . . . . 0.0 111.272 172.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.02 -44.01 94.89 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.766 0.712 . . . . 0.0 111.421 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.3 m -60.83 -28.71 69.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.138 0.975 . . . . 0.0 113.17 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -88.93 -39.21 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.134 1.373 . . . . 0.0 111.579 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.77 -50.84 18.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.726 1.21 . . . . 0.0 112.199 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -90.78 -21.48 21.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.839 1.656 . . . . 0.0 113.603 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.5 12.06 82.46 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.686 1.136 . . . . 0.0 115.055 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -91.15 2.21 56.51 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.48 1.14 . . . . 0.0 113.549 -169.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 72.75 163.84 0.28 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.44 2.296 . . . . 0.0 114.69 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.207 1.803 . . . . 0.0 113.499 -174.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.85 -31.03 71.37 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.847 0.748 . . . . 0.0 112.15 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.61 -12.91 74.31 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.704 1.145 . . . . 0.0 113.562 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 mmt -97.44 -59.45 1.78 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.7 1.25 . . . . 0.0 111.121 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.99 -38.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.197 1.399 . . . . 0.0 112.181 -166.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -25.7 60.44 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 118.458 0.572 . . . . 0.0 113.571 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.67 -27.91 22.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.465 1.106 . . . . 0.0 112.329 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.85 -28.93 67.93 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.98 1.312 . . . . 0.0 112.48 172.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.78 -40.54 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.028 0.931 . . . . 0.0 111.644 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.01 93.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.277 0.631 . . . . 0.0 111.338 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.62 -46.83 71.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.96 0.504 . . . . 0.0 111.224 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.14 -39.02 81.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.006 0.923 . . . . 0.0 112.904 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.75 -42.23 74.16 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.015 1.326 . . . . 0.0 110.978 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.2 t -64.86 -44.84 88.42 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.113 0.965 . . . . 0.0 113.452 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 t -74.66 -26.87 60.15 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.261 0.624 . . . . 0.0 112.016 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 80.31 42.45 0.06 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.121 2.568 . . . . 0.0 112.073 164.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.43 165.0 15.52 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.395 1.478 . . . . 0.0 112.857 -172.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 m -120.45 144.57 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.879 1.672 . . . . 0.0 110.101 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.84 163.59 27.62 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.465 1.031 . . . . 0.0 112.557 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.1 164.7 26.44 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.919 1.288 . . . . 0.0 111.397 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 t -173.06 158.21 3.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.226 2.21 . . . . 0.0 109.051 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -53.53 -29.33 36.18 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.186 1.394 . . . . 0.0 113.874 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.1 -30.59 71.72 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.839 0.856 . . . . 0.0 112.659 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -84.18 -51.73 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.404 1.082 . . . . 0.0 110.095 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.16 -28.53 68.85 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.73 -41.1 72.3 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.289 0.95 . . . . 0.0 111.76 170.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.7 m -70.52 -28.2 64.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.654 0.782 . . . . 0.0 113.074 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.87 -29.66 67.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.331 1.052 . . . . 0.0 113.193 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.7 -44.8 85.05 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.776 -0.578 . . . . 0.0 111.466 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.54 -36.54 78.96 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.518 -0.739 . . . . 0.0 112.257 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -65.82 -28.6 69.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.483 1.513 . . . . 0.0 113.509 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -148.49 -59.76 0.24 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -170.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.62 -45.46 90.18 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.075 0.852 . . . . 0.0 112.658 -169.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.1 t -64.43 -32.3 73.87 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.28 1.032 . . . . 0.0 112.386 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -78.77 -27.43 44.62 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -120.17 -4.22 10.02 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -166.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.44 110.07 1.34 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.953 1.252 . . . . 0.0 111.549 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.9 m -69.25 -12.01 61.3 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -77.56 -25.04 49.75 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.254 1.022 . . . . 0.0 112.767 168.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.26 -33.85 10.57 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.532 1.533 . . . . 0.0 113.103 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 124.839 1.256 . . . . 0.0 112.772 175.926 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 tpp . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -73.09 142.35 47.55 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -173.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.66 89.53 3.95 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.001 0.921 . . . . 0.0 109.455 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -68.48 122.65 18.89 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 123.78 0.832 . . . . 0.0 112.79 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.28 71.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.731 0.813 . . . . 0.0 112.313 173.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -73.7 -37.93 65.01 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.765 0.826 . . . . 0.0 112.193 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -66.76 -39.42 87.87 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.057 0.389 . . . . 0.0 110.699 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.49 -52.88 61.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.991 0.916 . . . . 0.0 110.54 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.5 70.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.528 1.131 . . . . 0.0 113.369 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -63.57 -38.71 92.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.572 0.624 . . . . 0.0 112.074 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -65.73 -36.21 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.308 -0.87 . . . . 0.0 111.412 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.61 -30.24 68.55 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.255 -0.903 . . . . 0.0 112.831 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.52 -22.23 61.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.704 0.801 . . . . 0.0 113.127 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -77.81 -44.87 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.875 0.87 . . . . 0.0 110.496 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.02 -1.27 40.15 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.579 1.152 . . . . 0.0 113.866 -171.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.97 25.3 62.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.465 1.031 . . . . 0.0 114.336 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -79.97 102.33 9.17 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.065 1.346 . . . . 0.0 109.581 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.61 73.15 10.6 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.316 1.046 . . . . 0.0 111.711 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -85.24 159.41 20.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.84 1.656 . . . . 0.0 111.94 167.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.18 169.88 9.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.764 1.226 . . . . 0.0 110.743 159.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.27 -35.87 67.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.024 0.929 . . . . 0.0 112.577 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.05 68.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.7 -32.4 21.95 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.081 0.952 . . . . 0.0 111.856 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.9 -47.57 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.093 1.315 . . . . 0.0 110.311 168.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.28 -34.94 71.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.367 0.667 . . . . 0.0 112.02 171.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -64.94 -30.21 71.19 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.907 -1.121 . . . . 0.0 113.868 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.32 -36.43 26.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.299 1.408 . . . . 0.0 112.146 170.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.9 -37.38 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.496 1.044 . . . . 0.0 111.367 170.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.69 -45.32 77.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.98 0.912 . . . . 0.0 111.677 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.19 -41.93 96.88 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.953 0.797 . . . . 0.0 110.962 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.2 m -57.09 -41.96 79.87 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.096 0.958 . . . . 0.0 111.762 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.15 -40.48 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.081 1.352 . . . . 0.0 111.58 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.94 -47.11 63.64 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.416 1.087 . . . . 0.0 112.605 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -94.52 -9.1 36.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.067 1.347 . . . . 0.0 114.337 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 32.48 69.4 Favored Glycine 0 N--CA 1.476 1.327 0 CA-C-N 119.158 0.89 . . . . 0.0 112.823 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -124.28 154.75 39.78 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.509 1.924 . . . . 0.0 109.969 -171.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.82 157.72 35.9 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.425 1.107 . . . . 0.0 113.869 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -62.32 -38.43 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.515 1.926 . . . . 0.0 112.106 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.36 -29.44 70.51 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.803 0.841 . . . . 0.0 111.788 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.07 -34.86 61.34 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.677 1.132 . . . . 0.0 112.551 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.5 mmt -71.49 -55.34 8.07 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 117.683 0.742 . . . . 0.0 110.947 170.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.35 -37.26 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.508 0.723 . . . . 0.0 111.916 -175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.0 87.2 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.748 0.704 . . . . 0.0 114.101 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.15 -31.68 27.05 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.074 0.937 . . . . 0.0 111.836 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.18 -34.99 79.35 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.711 0.804 . . . . 0.0 112.647 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.14 -44.51 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.444 1.098 . . . . 0.0 111.414 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.475 0.58 . . . . 0.0 111.797 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -66.4 -49.68 66.0 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.055 0.542 . . . . 0.0 111.655 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.63 -32.49 72.63 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.37 -45.69 68.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 110.759 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -64.68 -42.4 95.38 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.017 0.927 . . . . 0.0 113.402 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.7 p -78.07 -25.19 47.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.148 0.979 . . . . 0.0 112.655 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 81.87 -2.85 1.56 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 129.415 3.086 . . . . 0.0 113.24 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -81.06 100.04 8.8 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.651 -1.281 . . . . 0.0 111.82 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.77 -14.5 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.406 1.082 . . . . 0.0 113.373 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.63 132.42 10.99 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.744 1.64 . . . . 0.0 110.854 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.4 161.41 14.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.283 1.033 . . . . 0.0 112.5 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.9 p -143.02 167.74 21.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.92 2.088 . . . . 0.0 109.748 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -60.3 -26.77 66.77 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -75.7 -40.66 55.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 111.595 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.47 -40.16 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.592 -0.693 . . . . 0.0 110.077 173.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.21 -38.09 75.21 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -58.47 -43.02 88.78 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.024 0.829 . . . . 0.0 111.593 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.8 m -67.71 -35.7 79.28 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 113.081 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.6 -34.5 77.96 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.687 1.13 . . . . 0.0 113.012 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.4 -42.13 91.03 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.475 -0.766 . . . . 0.0 111.366 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -71.89 -27.6 62.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -71.21 -24.25 62.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.12 1.368 . . . . 0.0 113.499 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -153.46 -36.05 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.66 -53.96 5.03 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 112.635 -168.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.7 p -77.83 -2.56 37.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.99 -9.03 13.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.647 1.179 . . . . 0.0 113.354 162.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 91.72 71.08 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 130.276 3.431 . . . . 0.0 110.439 174.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.52 125.72 24.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.951 1.3 . . . . 0.0 111.26 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 m -62.0 -15.51 44.59 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -172.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -70.99 -23.15 62.14 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.681 1.193 . . . . 0.0 113.135 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.66 -8.88 2.45 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.449 1.5 . . . . 0.0 112.159 177.777 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mmm . . . . . 0 N--CA 1.485 1.325 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 t -137.88 115.83 11.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.889 0.875 . . . . 0.0 111.339 170.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.65 93.1 7.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.212 1.005 . . . . 0.0 110.54 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.7 t -148.74 143.7 26.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.781 1.232 . . . . 0.0 110.843 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.3 94.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.997 0.919 . . . . 0.0 112.541 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.16 -41.5 73.74 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.991 0.516 . . . . 0.0 111.207 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -59.0 -41.03 86.69 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.384 1.073 . . . . 0.0 111.508 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -78.18 -39.48 40.62 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.062 0.545 . . . . 0.0 112.045 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -28.15 68.28 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -65.14 -20.34 66.41 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.524 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -92.63 -36.0 13.22 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.517 1.053 . . . . 0.0 112.585 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.87 -46.24 42.22 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.784 1.175 . . . . 0.0 111.698 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.18 -19.95 65.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.148 1.379 . . . . 0.0 113.68 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mm -76.91 -38.76 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.597 1.09 . . . . 0.0 111.272 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -83.08 -7.56 59.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.914 1.286 . . . . 0.0 112.995 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 13.2 73.51 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.678 1.132 . . . . 0.0 113.868 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.54 152.87 40.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.187 0.993 . . . . 0.0 110.825 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -152.38 121.46 6.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.714 1.606 . . . . 0.0 109.613 175.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.7 m -131.68 154.79 48.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.211 1.404 . . . . 0.0 112.048 -170.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.38 157.66 32.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.292 0.637 . . . . 0.0 111.184 165.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.24 -35.03 64.53 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.698 0.799 . . . . 0.0 112.388 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.21 68.6 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -86.92 -36.05 18.57 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.362 0.665 . . . . 0.0 111.832 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.11 -46.28 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 119.164 0.893 . . . . 0.0 110.583 173.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -53.86 -34.04 58.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.423 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -68.42 -35.53 77.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.79 -1.194 . . . . 0.0 113.005 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.39 -39.94 52.27 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.264 0.938 . . . . 0.0 111.038 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.81 -35.82 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.436 0.694 . . . . 0.0 112.014 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.51 -46.99 83.14 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.665 1.186 . . . . 0.0 111.399 172.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.92 -39.17 84.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.709 -0.62 . . . . 0.0 110.99 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.56 -15.44 58.03 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 174.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.48 -50.62 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.632 1.173 . . . . 0.0 111.024 168.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -72.9 -32.28 65.23 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -172.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -106.74 -21.36 13.06 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.511 1.524 . . . . 0.0 112.747 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 -8.81 24.73 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.601 1.572 . . . . 0.0 115.564 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.99 156.01 32.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.982 1.713 . . . . 0.0 112.401 -175.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -55.37 132.13 47.41 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.959 1.304 . . . . 0.0 112.608 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 2.8 mp0 -46.61 -37.69 8.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.499 2.319 . . . . 0.0 112.92 171.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -30.57 68.2 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.819 1.248 . . . . 0.0 113.081 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.92 -43.31 17.79 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.691 1.138 . . . . 0.0 111.841 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -40.42 92.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.834 0.854 . . . . 0.0 112.013 174.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -74.62 -45.11 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.074 0.95 . . . . 0.0 111.776 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -40.92 14.82 Favored Glycine 0 N--CA 1.471 0.984 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.495 -168.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.2 -22.99 61.95 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.931 1.366 . . . . 0.0 112.287 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.75 -28.99 69.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.446 1.099 . . . . 0.0 112.261 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.87 -43.68 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.375 1.07 . . . . 0.0 111.294 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.23 92.58 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.114 0.565 . . . . 0.0 111.735 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -67.36 -46.2 74.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.462 0.705 . . . . 0.0 111.797 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.83 -35.92 81.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.685 0.675 . . . . 0.0 112.618 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -66.57 -44.66 81.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.812 1.245 . . . . 0.0 110.201 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -42.0 98.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -76.98 -21.61 54.46 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.131 -0.981 . . . . 0.0 113.312 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.7 m80 73.79 -3.15 2.57 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.399 2.679 . . . . 0.0 113.804 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -72.49 146.98 46.47 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.741 -1.225 . . . . 0.0 112.39 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -94.69 135.26 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.405 1.482 . . . . 0.0 108.864 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.1 179.43 52.59 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.466 1.032 . . . . 0.0 113.948 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.91 145.71 51.61 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.222 1.809 . . . . 0.0 111.022 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -141.53 160.54 39.93 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.352 2.261 . . . . 0.0 108.87 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -54.49 -33.35 59.64 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.05 -35.85 80.77 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 112.396 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.53 -39.53 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.375 -0.828 . . . . 0.0 110.091 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -31.72 69.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 173.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.74 -37.14 81.77 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.633 1.106 . . . . 0.0 111.802 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -66.37 -39.65 89.24 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.071 -1.018 . . . . 0.0 112.712 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.1 -35.36 66.95 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.719 1.145 . . . . 0.0 113.886 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -58.43 -42.95 88.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.438 0.695 . . . . 0.0 111.966 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -83.91 -27.39 28.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.61 1.164 . . . . 0.0 112.992 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -67.05 -33.79 76.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.146 1.778 . . . . 0.0 112.771 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -149.65 -42.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.36 -54.78 27.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.432 1.015 . . . . 0.0 111.583 -173.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.2 m -64.56 -22.85 67.08 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -69.11 -41.82 76.91 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.125 -0.984 . . . . 0.0 112.675 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -94.16 -13.15 27.01 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.447 1.499 . . . . 0.0 114.394 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 tp -57.82 130.72 47.75 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.316 1.446 . . . . 0.0 112.849 -176.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.4 p -94.94 -18.36 21.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.005 1.322 . . . . 0.0 113.849 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -69.11 -27.94 66.04 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.832 1.653 . . . . 0.0 113.482 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.45 -9.08 51.5 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.522 1.529 . . . . 0.0 114.22 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.075 1.35 . . . . 0.0 113.126 -176.263 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -65.47 115.61 5.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.338 1.055 . . . . 0.0 112.951 -173.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.44 155.24 34.58 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 129.261 3.025 . . . . 0.0 112.141 -3.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t -168.46 139.1 2.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.946 1.298 . . . . 0.0 111.114 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.82 71.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.064 0.946 . . . . 0.0 112.519 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.33 -32.64 74.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.758 1.223 . . . . 0.0 111.743 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -94.09 -36.89 11.89 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.89 -36.38 81.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.34 0.973 . . . . 0.0 111.798 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.15 60.47 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.42 -33.04 48.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.647 0.779 . . . . 0.0 111.735 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.28 -33.54 73.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.783 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.59 -34.83 59.78 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.341 1.057 . . . . 0.0 112.456 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -70.83 -20.74 62.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.157 0.983 . . . . 0.0 112.683 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 mm -73.34 -35.47 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.148 0.979 . . . . 0.0 111.047 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -98.34 -9.94 24.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.269 1.428 . . . . 0.0 113.523 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.6 18.63 61.54 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.753 1.168 . . . . 0.0 113.987 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 mt -76.07 159.38 30.83 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.272 1.036 . . . . 0.0 111.449 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -148.6 39.41 0.88 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.13 1.372 . . . . 0.0 111.784 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -57.8 143.11 43.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.484 1.514 . . . . 0.0 112.532 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.26 161.34 31.24 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.478 0.711 . . . . 0.0 111.809 169.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.14 -35.99 67.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.734 0.814 . . . . 0.0 112.153 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.23 67.94 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.3 mt -87.51 -34.34 18.66 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.599 0.759 . . . . 0.0 111.749 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -55.79 -46.15 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.644 1.111 . . . . 0.0 110.459 170.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.82 -34.28 67.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.295 0.638 . . . . 0.0 112.419 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.76 -29.77 67.19 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.634 -1.291 . . . . 0.0 113.269 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.55 -38.21 26.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.771 1.169 . . . . 0.0 111.072 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.27 -39.21 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 118.855 0.752 . . . . 0.0 111.282 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.25 -40.66 59.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.221 1.008 . . . . 0.0 111.62 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.93 -45.28 74.78 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.636 -0.665 . . . . 0.0 110.198 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -62.0 -30.05 70.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.875 0.87 . . . . 0.0 113.01 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -75.92 -45.43 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.467 1.107 . . . . 0.0 111.012 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -75.07 -49.74 18.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.95 0.9 . . . . 0.0 112.666 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -88.57 -17.3 30.48 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.261 1.424 . . . . 0.0 113.747 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 -0.87 62.36 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.392 1.472 . . . . 0.0 114.776 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -80.37 145.0 32.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.776 1.63 . . . . 0.0 111.233 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -63.64 149.1 47.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.145 1.378 . . . . 0.0 112.723 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.87 -34.03 52.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.071 1.748 . . . . 0.0 114.642 -170.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.78 -28.84 69.74 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.53 -17.27 79.86 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 124.365 0.983 . . . . 0.0 112.63 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.6 mmt -93.8 -53.79 3.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.152 0.981 . . . . 0.0 110.601 171.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -68.64 -43.21 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.127 0.971 . . . . 0.0 112.139 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.52 -39.93 24.39 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.735 0.698 . . . . 0.0 113.288 -174.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -69.98 -20.63 63.29 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.644 0.778 . . . . 0.0 112.951 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.28 -30.81 70.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 112.624 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.76 -41.05 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 118.651 0.659 . . . . 0.0 110.437 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.31 69.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.06 0.944 . . . . 0.0 113.032 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.15 -44.59 53.04 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.787 -0.571 . . . . 0.0 111.293 170.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.93 -39.14 91.02 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 p -68.74 -48.87 62.66 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.035 0.834 . . . . 0.0 111.728 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.9 m -66.01 -31.45 72.35 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -83.84 -26.5 29.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 172.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 72.34 11.87 5.76 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.342 2.257 . . . . 0.0 113.264 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 145.57 52.63 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.291 -1.505 . . . . 0.0 112.594 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.27 141.62 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.028 1.331 . . . . 0.0 110.568 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.08 -169.56 39.11 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.375 0.988 . . . . 0.0 113.939 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 mt -134.5 143.7 47.61 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.921 1.688 . . . . 0.0 110.204 175.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -138.72 161.84 36.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.864 2.065 . . . . 0.0 109.245 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -57.73 -29.55 64.83 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -74.46 -29.59 61.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.266 1.026 . . . . 0.0 113.247 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.96 -40.5 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.75 -31.69 69.79 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.36 -45.81 89.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.17 0.988 . . . . 0.0 110.848 170.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -65.47 -33.14 75.25 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.011 -1.056 . . . . 0.0 113.328 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.69 -34.78 74.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.422 1.01 . . . . 0.0 113.498 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.84 -36.96 75.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.792 0.724 . . . . 0.0 111.94 172.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -85.97 -15.84 40.27 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.565 1.146 . . . . 0.0 112.367 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.56 -20.89 28.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.44 1.496 . . . . 0.0 112.879 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -150.8 -51.57 0.13 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.45 -38.74 88.05 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.247 0.93 . . . . 0.0 113.017 -168.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.7 p -74.9 -23.62 58.4 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -77.17 -47.45 20.3 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.112 -0.992 . . . . 0.0 113.187 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -149.35 121.94 8.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.887 1.675 . . . . 0.0 110.387 -166.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -158.8 142.87 15.46 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 127.211 2.205 . . . . 0.0 110.896 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.8 p -77.0 -16.31 59.36 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -64.11 -33.36 75.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.819 1.648 . . . . 0.0 112.915 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.08 -6.04 15.23 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.603 1.561 . . . . 0.0 114.829 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 C--O 1.256 1.409 0 C-N-CA 125.004 1.322 . . . . 0.0 113.193 -176.465 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.8 tpp . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -72.48 161.81 30.31 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.6 66.21 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 t 82.78 125.5 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 128.676 2.791 . . . . 0.0 113.485 173.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.68 71.45 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.327 -0.858 . . . . 0.0 112.102 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -69.61 -22.97 63.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.035 0.934 . . . . 0.0 112.241 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -42.98 10.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.036 0.934 . . . . 0.0 111.203 173.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -36.08 80.13 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 111.799 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.74 65.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.72 -31.68 68.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.136 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -70.96 -33.01 70.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.854 0.861 . . . . 0.0 112.373 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -54.08 -32.91 56.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.206 1.403 . . . . 0.0 112.525 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.68 -29.11 70.4 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.418 1.487 . . . . 0.0 112.315 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.8 mm -83.6 -39.35 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.768 1.227 . . . . 0.0 110.475 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -84.82 -6.94 59.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.823 1.249 . . . . 0.0 113.618 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.57 70.73 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.735 1.16 . . . . 0.0 113.247 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.37 161.46 20.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.435 1.494 . . . . 0.0 112.154 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -153.3 129.67 10.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.968 1.707 . . . . 0.0 109.971 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 m -149.33 156.59 42.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.134 1.774 . . . . 0.0 111.238 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.55 154.45 34.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.106 0.562 . . . . 0.0 110.921 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.22 -33.77 59.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.36 1.064 . . . . 0.0 112.656 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.17 70.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.72 0.808 . . . . 0.0 112.702 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.06 -35.81 25.43 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.691 0.678 . . . . 0.0 112.132 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.61 -45.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.195 0.907 . . . . 0.0 110.752 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.64 -29.37 69.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.174 0.99 . . . . 0.0 112.775 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -65.8 -34.14 77.48 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 174.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.03 -35.44 66.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.917 1.235 . . . . 0.0 111.707 172.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.34 -40.7 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 118.798 0.726 . . . . 0.0 110.748 170.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.31 -31.79 69.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.293 1.037 . . . . 0.0 111.964 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.77 -46.7 44.03 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.663 -1.273 . . . . 0.0 110.757 171.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.17 -37.39 72.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.789 1.177 . . . . 0.0 112.734 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -73.47 -33.38 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.954 1.302 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -90.81 -46.28 8.31 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.337 0.971 . . . . 0.0 113.033 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -82.49 -20.44 36.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.408 1.083 . . . . 0.0 112.561 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.6 2.45 88.02 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.803 1.668 . . . . 0.0 114.784 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -90.54 143.29 26.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.265 1.426 . . . . 0.0 110.538 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -72.26 161.78 30.38 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.9 -40.08 60.13 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.698 2.399 . . . . 0.0 112.843 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.15 -25.29 66.9 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.0 -52.37 4.1 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 124.413 1.006 . . . . 0.0 110.936 172.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -38.91 84.41 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.933 . . . . 0.0 112.777 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.65 -48.87 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.141 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.22 -26.22 62.22 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 115.244 0.857 . . . . 0.0 115.244 -166.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -85.57 -16.1 40.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.427 1.114 . . . . 0.0 113.437 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.58 -27.32 67.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.614 1.166 . . . . 0.0 112.997 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.8 mp -62.23 -31.29 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.872 0.869 . . . . 0.0 111.15 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.4 78.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.692 0.797 . . . . 0.0 112.922 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.51 -47.43 69.98 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.118 0.967 . . . . 0.0 110.43 175.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 81.8 m -60.84 -38.48 85.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.11 0.964 . . . . 0.0 112.494 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -65.7 -49.27 69.15 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.965 1.306 . . . . 0.0 110.549 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -65.6 -34.49 78.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.4 p -87.26 -23.71 24.61 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 76.95 5.58 3.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 128.678 2.791 . . . . 0.0 112.737 -175.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -69.83 135.02 49.16 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.927 -1.108 . . . . 0.0 112.365 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -93.5 -4.64 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.97 1.308 . . . . 0.0 113.847 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.84 161.66 24.58 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.611 1.577 . . . . 0.0 113.21 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.58 161.96 28.38 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.469 1.508 . . . . 0.0 111.716 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -141.51 168.53 19.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.921 2.088 . . . . 0.0 109.732 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -60.7 -28.12 68.4 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.16 -33.34 61.49 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.119 0.968 . . . . 0.0 112.114 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -69.78 -42.42 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.45 -0.781 . . . . 0.0 110.361 174.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.53 -26.68 62.75 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.139 0.881 . . . . 0.0 113.304 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.2 -39.0 82.57 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.108 -0.995 . . . . 0.0 111.404 166.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -66.96 -37.81 84.95 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.305 -0.872 . . . . 0.0 112.721 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.06 -34.81 45.17 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.591 1.557 . . . . 0.0 113.883 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -55.82 -43.58 77.07 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.786 1.234 . . . . 0.0 112.527 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -95.23 -27.32 15.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.434 1.493 . . . . 0.0 112.267 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -69.39 -37.42 77.53 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.909 1.684 . . . . 0.0 112.226 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -144.62 -40.25 0.26 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -54.22 25.97 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.533 1.06 . . . . 0.0 113.354 -169.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.8 p -64.67 -40.13 94.87 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.4 -0.813 . . . . 0.0 112.414 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -69.26 -20.14 63.93 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -89.0 -40.9 12.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.372 1.469 . . . . 0.0 112.487 172.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.92 -46.5 52.25 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.905 0.882 . . . . 0.0 112.187 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 m 63.46 16.39 9.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.015 1.726 . . . . 0.0 114.36 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -147.93 127.59 13.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.648 1.579 . . . . 0.0 111.568 -170.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 68.13 -18.65 0.15 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 128.194 2.597 . . . . 0.0 116.512 171.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 127.154 2.182 . . . . 0.0 110.964 -175.764 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.725 0.774 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.15 68.38 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.063 0.945 . . . . 0.0 113.477 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.01 -28.25 68.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.034 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.6 -34.47 30.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.933 0.788 . . . . 0.0 110.895 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -67.71 -43.13 80.78 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.072 0.949 . . . . 0.0 111.006 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.83 66.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.361 1.465 . . . . 0.0 114.389 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.0 -30.87 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.9 0.773 . . . . 0.0 112.589 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -79.55 -39.38 31.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.205 0.602 . . . . 0.0 112.064 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -55.83 -34.47 65.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.537 1.135 . . . . 0.0 112.387 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.69 -19.24 62.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.131 1.372 . . . . 0.0 113.033 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.42 -45.55 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.763 1.165 . . . . 0.0 109.984 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -93.27 -5.98 48.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.829 1.252 . . . . 0.0 113.644 -171.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 28.36 54.18 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.625 1.107 . . . . 0.0 113.458 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -80.76 89.19 5.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.459 1.504 . . . . 0.0 109.773 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.61 110.72 8.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.604 0.762 . . . . 0.0 112.123 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.9 m -134.86 144.56 47.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.136 2.174 . . . . 0.0 110.622 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -79.81 164.1 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.138 0.575 . . . . 0.0 111.082 160.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.17 -38.26 51.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.287 1.035 . . . . 0.0 112.661 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.01 -28.93 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.77 -27.9 22.03 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.043 0.937 . . . . 0.0 112.143 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.13 -47.29 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 119.677 1.126 . . . . 0.0 110.117 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.03 -28.19 69.41 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.606 0.762 . . . . 0.0 112.299 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -59.58 -37.72 79.25 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.674 -1.266 . . . . 0.0 112.449 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.88 -34.25 64.37 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.362 0.983 . . . . 0.0 112.053 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.85 -44.1 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.003 0.82 . . . . 0.0 110.5 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.79 -41.99 83.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.281 173.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.97 -46.61 83.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.336 0.971 . . . . 0.0 111.599 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.8 m -56.1 -39.87 72.82 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.716 1.143 . . . . 0.0 112.21 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -75.36 -42.59 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.028 1.331 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -69.39 -43.1 74.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.544 0.738 . . . . 0.0 112.219 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.71 -17.06 32.59 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.198 0.999 . . . . 0.0 112.95 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.17 58.45 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.249 0.928 . . . . 0.0 111.453 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -127.84 140.64 51.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.467 1.507 . . . . 0.0 110.684 -164.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.26 141.13 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.843 0.857 . . . . 0.0 112.726 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -63.42 -21.3 66.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.931 1.693 . . . . 0.0 115.415 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.03 -22.34 66.79 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.637 1.108 . . . . 0.0 112.569 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.98 -50.42 6.89 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -37.37 84.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.285 1.034 . . . . 0.0 112.637 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -79.58 -44.95 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.621 0.768 . . . . 0.0 111.199 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -44.64 47.53 Favored Glycine 0 N--CA 1.47 0.929 0 CA-C-N 118.993 0.815 . . . . 0.0 114.313 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -76.38 -22.19 55.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 117.833 0.816 . . . . 0.0 112.646 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.35 -28.98 68.41 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.835 1.254 . . . . 0.0 112.675 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.63 -42.96 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.538 0.735 . . . . 0.0 111.004 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.62 84.16 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 112.127 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.58 -47.99 73.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.562 0.745 . . . . 0.0 111.33 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -62.25 -35.34 78.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.2 m -65.05 -47.01 78.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.365 1.066 . . . . 0.0 111.185 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.2 m -64.22 -34.58 78.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.5 p -83.62 -15.02 50.6 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 71.2 7.41 6.12 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 128.306 2.643 . . . . 0.0 113.237 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.55 127.24 32.66 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.722 -1.236 . . . . 0.0 112.707 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.26 -12.17 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 124.517 1.127 . . . . 0.0 113.969 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.68 150.5 20.85 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.275 1.893 . . . . 0.0 112.361 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.66 162.41 13.09 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.613 1.165 . . . . 0.0 112.08 -173.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.3 p -134.49 165.38 25.33 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.747 . . . . 0.0 110.766 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.9 p -59.09 -25.2 63.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.33 -43.29 51.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.888 0.875 . . . . 0.0 111.405 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.5 mt -61.85 -49.35 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-N 119.37 0.987 . . . . 0.0 110.863 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.33 -20.33 61.5 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -72.61 -50.33 26.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.285 0.948 . . . . 0.0 111.049 167.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -64.2 -29.13 70.25 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.095 -1.003 . . . . 0.0 113.369 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -55.04 -30.87 60.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.62 1.168 . . . . 0.0 113.536 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.4 -39.31 90.23 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.29 0.636 . . . . 0.0 112.35 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -91.07 -26.1 19.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.935 1.294 . . . . 0.0 112.873 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.26 -24.42 60.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.549 1.539 . . . . 0.0 112.77 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -148.77 -45.49 0.15 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.9 -48.87 27.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.072 0.851 . . . . 0.0 113.192 -168.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.5 p -68.87 -23.91 64.28 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.037 -1.039 . . . . 0.0 113.259 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 124.565 1.146 . . . . 0.0 113.785 178.863 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.78 71.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.676 1.19 . . . . 0.0 113.66 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -70.92 -27.83 64.07 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -79.6 -29.46 41.17 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.503 0.721 . . . . 0.0 110.702 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.8 -46.18 72.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.425 0.69 . . . . 0.0 110.625 169.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.97 69.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.457 1.103 . . . . 0.0 113.586 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.77 -25.21 68.1 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.292 1.037 . . . . 0.0 112.421 173.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -85.12 -40.82 16.31 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.307 0.958 . . . . 0.0 112.198 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.49 -43.34 64.97 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.189 0.904 . . . . 0.0 112.06 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -9.9 58.77 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.626 1.17 . . . . 0.0 114.031 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -86.06 -41.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.71 1.141 . . . . 0.0 109.915 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -81.29 -21.29 39.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.27 20.23 42.74 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.796 1.188 . . . . 0.0 113.873 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.44 155.87 40.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.803 1.241 . . . . 0.0 111.125 174.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.44 28.36 3.68 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.539 1.135 . . . . 0.0 113.737 -165.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -58.97 128.06 35.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.116 -0.99 . . . . 0.0 110.928 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.02 170.34 14.04 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.223 0.609 . . . . 0.0 111.036 166.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -54.41 -37.35 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.847 0.859 . . . . 0.0 112.522 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.73 -24.3 64.44 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.17 -31.93 14.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.145 0.978 . . . . 0.0 111.867 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.5 -42.76 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.594 1.088 . . . . 0.0 110.364 168.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.31 -31.91 62.03 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 172.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -69.96 -40.11 75.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.23 -36.84 71.97 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.517 1.053 . . . . 0.0 110.868 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.44 -42.87 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 118.46 0.573 . . . . 0.0 111.226 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.25 -43.26 78.52 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.083 0.856 . . . . 0.0 111.687 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.72 -47.53 85.88 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 111.279 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.1 -32.42 68.08 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.867 -1.146 . . . . 0.0 113.315 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.22 -41.01 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.29 1.436 . . . . 0.0 111.765 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -75.77 -36.36 59.85 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.079 0.854 . . . . 0.0 113.054 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -100.53 -10.18 21.3 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.36 3.66 58.21 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.917 1.246 . . . . 0.0 114.442 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -85.18 148.54 26.05 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.563 1.545 . . . . 0.0 110.85 -174.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -67.53 156.3 37.04 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.017 0.913 . . . . 0.0 113.158 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -54.07 -35.66 62.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.188 2.195 . . . . 0.0 113.452 -174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.89 -33.59 70.68 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.798 1.239 . . . . 0.0 113.157 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 -32.97 56.52 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.814 0.721 . . . . 0.0 112.638 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -43.05 22.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.486 1.115 . . . . 0.0 111.235 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.7 t -74.62 -42.98 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.607 0.763 . . . . 0.0 112.476 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -30.48 61.87 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 118.664 0.666 . . . . 0.0 114.047 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -82.75 -18.07 42.03 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.064 0.932 . . . . 0.0 112.986 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -65.27 -23.01 66.93 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.993 -1.067 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.04 -37.17 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.096 0.958 . . . . 0.0 111.436 175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.11 -21.96 66.38 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.004 0.922 . . . . 0.0 112.847 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.54 -66.9 0.78 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.899 0.879 . . . . 0.0 109.339 167.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m -63.45 -37.53 87.65 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -72.51 -32.09 65.87 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.797 . . . . 0.0 111.693 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -75.95 -39.75 55.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.65 0.78 . . . . 0.0 112.529 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 p -78.56 -27.1 45.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 112.758 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.3 m80 78.07 5.1 2.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.685 2.794 . . . . 0.0 112.94 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.01 119.17 12.89 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 111.54 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -83.22 -13.93 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.538 1.135 . . . . 0.0 113.098 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.98 156.27 22.84 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.433 1.492 . . . . 0.0 112.1 172.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.0 139.72 51.96 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.144 1.777 . . . . 0.0 109.485 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 p -145.03 162.6 36.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.669 1.588 . . . . 0.0 110.649 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 m -58.11 -32.51 68.18 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.643 -0.661 . . . . 0.0 112.072 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.96 -39.68 75.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.081 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.6 -44.05 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.912 0.778 . . . . 0.0 110.826 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.23 -31.98 62.82 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.188 0.904 . . . . 0.0 113.231 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -73.44 -26.93 61.16 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.513 1.051 . . . . 0.0 112.59 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.8 t -69.96 -39.24 76.14 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.199 -1.563 . . . . 0.0 111.897 168.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -60.5 -34.78 74.58 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.094 -1.004 . . . . 0.0 113.296 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.66 -44.16 76.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.971 0.508 . . . . 0.0 111.273 171.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -75.8 -26.0 56.89 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -70.03 -25.46 63.58 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.615 1.566 . . . . 0.0 113.429 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -153.36 -39.6 0.1 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.08 -47.28 11.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.638 1.108 . . . . 0.0 112.545 -169.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -16.84 62.79 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 124.542 1.137 . . . . 0.0 113.623 173.601 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.833 0.349 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.62 77.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.531 0.732 . . . . 0.0 112.414 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -74.26 -33.86 63.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.538 0.735 . . . . 0.0 111.338 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -71.76 -35.8 70.21 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.065 0.946 . . . . 0.0 111.371 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.9 -43.6 71.41 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.857 0.863 . . . . 0.0 111.461 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.02 -24.43 66.16 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.15 -33.09 72.86 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.874 0.761 . . . . 0.0 112.217 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.81 -47.32 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.838 0.745 . . . . 0.0 110.15 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.51 -36.77 69.56 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.593 1.157 . . . . 0.0 112.154 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.83 -31.42 72.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.792 1.637 . . . . 0.0 112.939 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.67 -42.98 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 121.436 -0.79 . . . . 0.0 110.844 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -94.82 -2.64 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.75 48.75 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.446 1.022 . . . . 0.0 114.602 172.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.42 94.22 8.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.514 1.157 . . . . 0.0 109.416 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -79.19 51.33 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.542 1.537 . . . . 0.0 112.054 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.3 145.62 54.95 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.015 1.326 . . . . 0.0 112.049 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.97 161.54 29.99 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.545 0.738 . . . . 0.0 111.909 170.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.02 -36.21 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.058 0.943 . . . . 0.0 111.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.39 68.35 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.515 -0.741 . . . . 0.0 112.988 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.96 -35.47 22.02 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.554 0.742 . . . . 0.0 111.78 172.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.32 -46.25 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.869 1.213 . . . . 0.0 110.61 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.8 -34.76 67.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.161 0.984 . . . . 0.0 112.209 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.45 -41.36 96.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.161 0.891 . . . . 0.0 112.661 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.39 -35.93 60.98 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.558 1.072 . . . . 0.0 112.015 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.09 -43.42 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.028 0.831 . . . . 0.0 111.03 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.51 -37.79 87.43 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.698 -0.626 . . . . 0.0 112.097 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.73 -46.75 86.64 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.588 -1.32 . . . . 0.0 111.291 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.8 m -58.34 -33.32 69.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.964 0.905 . . . . 0.0 112.398 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.14 -41.2 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.432 1.093 . . . . 0.0 112.014 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -43.24 23.76 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.75 0.704 . . . . 0.0 112.667 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -88.47 -21.29 24.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.082 0.953 . . . . 0.0 113.215 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.4 3.09 69.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.45 1.024 . . . . 0.0 114.691 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -82.99 151.36 25.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.03 1.332 . . . . 0.0 109.959 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -68.85 164.73 21.34 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -61.19 -35.22 76.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.284 1.434 . . . . 0.0 111.922 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.42 -37.01 76.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.667 1.187 . . . . 0.0 111.945 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.75 64.96 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 123.915 0.769 . . . . 0.0 112.174 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -53.82 38.73 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.926 0.891 . . . . 0.0 110.99 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.92 -39.27 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.16 0.584 . . . . 0.0 112.185 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -41.8 94.22 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.957 0.798 . . . . 0.0 113.298 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.83 -27.09 60.14 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 117.684 0.742 . . . . 0.0 112.382 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.76 -38.47 76.78 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.707 0.685 . . . . 0.0 111.686 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.7 mt -60.15 -46.34 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.137 0.975 . . . . 0.0 110.657 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.01 88.74 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.96 0.504 . . . . 0.0 111.52 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -66.05 -51.8 54.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -68.35 -27.26 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.461 1.028 . . . . 0.0 113.538 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -67.69 -44.32 78.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.989 0.916 . . . . 0.0 110.559 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 t -63.95 -41.38 97.61 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.6 p -79.62 -28.78 40.94 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 70.75 8.57 6.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 127.36 2.264 . . . . 0.0 114.264 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -70.68 152.95 43.3 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.219 -1.551 . . . . 0.0 112.126 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.1 m -76.27 129.26 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.073 0.949 . . . . 0.0 110.617 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.24 -168.5 37.88 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 123.96 0.791 . . . . 0.0 113.74 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 159.56 40.3 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.672 1.589 . . . . 0.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -134.02 167.02 21.39 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.037 1.735 . . . . 0.0 111.372 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -63.66 -21.54 66.43 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -77.77 -43.39 30.89 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.212 1.005 . . . . 0.0 111.049 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.43 -47.06 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.422 -0.799 . . . . 0.0 110.187 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.4 -13.59 61.89 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -79.24 -45.76 19.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.629 1.104 . . . . 0.0 110.818 164.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -63.06 -31.43 72.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.159 0.984 . . . . 0.0 113.091 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -57.84 -29.18 64.76 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.148 1.379 . . . . 0.0 114.034 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.28 -38.8 90.75 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.601 -0.687 . . . . 0.0 111.799 173.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -78.88 -27.14 43.95 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.066 -1.021 . . . . 0.0 112.283 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -67.84 -28.82 67.88 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.029 1.332 . . . . 0.0 113.191 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -151.69 -44.45 0.11 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.41 -42.18 65.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.604 1.093 . . . . 0.0 112.714 -169.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.9 t -74.27 -16.68 60.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.399 1.08 . . . . 0.0 113.29 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 N--CA 1.477 0.897 0 O-C-N 120.671 -1.268 . . . . 0.0 113.492 179.382 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 122.13 0.967 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.94 97.43 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.205 1.002 . . . . 0.0 113.106 -171.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -67.09 -25.82 66.41 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -79.38 -42.69 25.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.99 0.516 . . . . 0.0 111.093 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.11 -40.18 78.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.918 -0.489 . . . . 0.0 111.821 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.78 70.05 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.83 -33.81 76.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 111.502 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -70.99 -44.06 66.73 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.119 0.872 . . . . 0.0 111.277 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.8 mt -54.44 -39.6 67.55 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 123.908 0.883 . . . . 0.0 111.797 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -66.74 -29.79 69.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.51 1.124 . . . . 0.0 113.086 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.44 -42.64 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.55 1.068 . . . . 0.0 111.194 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.74 -11.69 58.11 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 20.85 57.61 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.225 1.393 . . . . 0.0 114.212 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.34 121.41 21.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.608 1.163 . . . . 0.0 110.955 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.83 146.15 35.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.195 0.998 . . . . 0.0 111.187 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.9 p -164.32 -179.76 6.28 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -170.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.74 168.26 23.38 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.854 2.462 . . . . 0.0 108.411 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.73 -38.39 47.17 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.417 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.05 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.42 -33.97 21.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.84 -47.28 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.311 -0.868 . . . . 0.0 110.071 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.1 -34.49 72.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.967 0.907 . . . . 0.0 112.158 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -61.04 -33.11 72.79 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.958 -1.089 . . . . 0.0 113.028 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.34 -39.0 15.72 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.625 1.102 . . . . 0.0 112.479 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.57 -35.03 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 119.528 1.058 . . . . 0.0 111.416 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.36 -37.64 72.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.86 0.864 . . . . 0.0 112.062 171.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.73 -46.58 81.67 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.293 0.951 . . . . 0.0 110.534 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.35 -39.98 77.1 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.495 0.718 . . . . 0.0 112.376 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.75 -40.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.784 1.233 . . . . 0.0 111.601 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -76.95 -44.44 31.4 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.787 0.835 . . . . 0.0 112.903 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.65 -16.02 31.4 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.756 1.222 . . . . 0.0 113.84 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.81 33.58 66.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.883 0.754 . . . . 0.0 112.765 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -120.18 148.9 43.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.14 1.376 . . . . 0.0 111.46 -170.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -65.6 151.11 47.24 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 0.0 113.614 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.12 -39.7 60.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.308 1.843 . . . . 0.0 113.336 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.16 -32.37 73.74 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.705 1.202 . . . . 0.0 111.885 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.64 -21.5 74.76 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.484 1.04 . . . . 0.0 112.869 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.5 mmt -87.81 -61.15 1.78 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.889 0.876 . . . . 0.0 110.455 167.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.8 -40.58 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.183 0.993 . . . . 0.0 112.051 -165.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.77 -32.71 61.02 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 118.584 0.629 . . . . 0.0 113.094 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -78.75 -29.05 44.97 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.695 0.798 . . . . 0.0 111.851 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.21 -30.37 71.43 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.994 0.918 . . . . 0.0 112.085 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.0 mm -58.88 -52.46 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.688 0.677 . . . . 0.0 110.463 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.76 -37.45 79.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.391 0.676 . . . . 0.0 112.167 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.6 -47.35 72.96 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.708 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.31 -42.11 94.89 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.999 0.818 . . . . 0.0 112.257 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.4 m -61.98 -41.76 98.38 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.912 1.285 . . . . 0.0 111.095 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.6 m -68.21 -38.25 81.72 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.5 p -82.61 -24.54 33.82 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.718 0.807 . . . . 0.0 112.659 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.2 m80 85.82 0.16 0.7 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 130.181 3.392 . . . . 0.0 113.121 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -77.38 164.45 25.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.643 1.177 . . . . 0.0 111.956 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.76 150.52 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.837 1.655 . . . . 0.0 110.296 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.82 -11.01 73.26 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.611 1.1 . . . . 0.0 114.527 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.8 mt 69.72 164.63 0.26 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.118 2.567 . . . . 0.0 114.506 167.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 t -175.74 154.94 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.696 2.799 . . . . 0.0 108.322 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -52.8 -37.04 59.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.468 1.107 . . . . 0.0 113.476 -170.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.73 -37.68 79.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.654 1.182 . . . . 0.0 112.514 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.07 -43.34 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.423 -0.798 . . . . 0.0 109.991 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.69 -34.74 72.29 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.455 -0.778 . . . . 0.0 112.759 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.62 -36.8 84.77 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.505 0.722 . . . . 0.0 111.306 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.1 m -70.29 -41.7 73.01 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.286 -0.884 . . . . 0.0 112.279 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -53.99 -33.09 56.14 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.106 1.363 . . . . 0.0 114.056 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.5 -34.37 64.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.841 0.856 . . . . 0.0 112.263 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.48 -5.71 51.29 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.703 1.201 . . . . 0.0 113.375 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.51 -31.83 19.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.419 1.088 . . . . 0.0 112.676 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -140.23 -43.03 0.42 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.2 -40.0 68.18 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.415 1.007 . . . . 0.0 112.658 -169.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.2 p -76.08 -14.54 60.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 124.064 0.946 . . . . 0.0 112.84 -176.445 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.7 -42.75 35.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.953 1.701 . . . . 0.0 114.482 -170.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -67.34 -25.56 66.05 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.246 1.418 . . . . 0.0 112.563 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -93.74 -43.33 8.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.173 . . . . 0.0 111.09 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.41 -44.25 76.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.689 1.196 . . . . 0.0 111.943 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -26.0 63.35 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.86 -22.24 56.4 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.731 0.696 . . . . 0.0 112.799 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.65 -39.51 36.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.2 0.909 . . . . 0.0 111.36 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt -52.68 -46.89 67.45 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.526 0.731 . . . . 0.0 111.956 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.73 -15.91 62.21 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.64 -44.52 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.991 1.269 . . . . 0.0 110.194 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -79.51 -16.08 56.64 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.36 17.85 51.41 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.843 1.211 . . . . 0.0 113.886 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.11 158.8 34.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.575 1.188 . . . . 0.0 111.173 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -145.95 128.18 15.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.804 1.242 . . . . 0.0 110.654 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.0 m -140.2 145.26 37.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.93 1.692 . . . . 0.0 111.062 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -71.84 162.75 28.98 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.837 0.455 . . . . 0.0 110.829 159.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.04 -36.25 62.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.05 65.29 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 mt -89.36 -29.26 19.24 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 0.0 112.296 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 98.3 mt -60.89 -50.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.964 1.256 . . . . 0.0 109.168 166.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.25 -33.72 54.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.194 0.998 . . . . 0.0 112.546 170.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -66.94 -27.05 67.16 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.962 1.255 . . . . 0.0 113.732 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.61 -39.28 18.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.515 1.052 . . . . 0.0 111.754 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.4 t -61.83 -34.27 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.688 0.676 . . . . 0.0 111.616 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.06 -38.6 62.62 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.348 1.459 . . . . 0.0 112.0 171.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.36 -42.91 82.7 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.516 -0.74 . . . . 0.0 110.694 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.5 -36.32 80.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.655 0.782 . . . . 0.0 112.634 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.23 -42.49 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 0.0 111.257 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.84 -49.17 18.76 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.768 1.227 . . . . 0.0 112.739 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.49 -18.73 20.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.408 1.483 . . . . 0.0 113.576 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.91 80.35 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.636 1.112 . . . . 0.0 114.04 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.68 147.42 25.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.767 1.627 . . . . 0.0 110.787 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -65.61 155.34 36.13 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 112.774 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -64.44 -28.09 69.44 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.628 1.171 . . . . 0.0 113.498 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.39 -30.89 71.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.009 0.924 . . . . 0.0 112.133 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.54 -15.68 79.26 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.536 1.541 . . . . 0.0 112.841 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 mmt -87.83 -59.93 2.11 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.085 0.954 . . . . 0.0 109.773 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.76 -43.24 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.819 0.848 . . . . 0.0 111.695 -171.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.79 77.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 119.168 0.895 . . . . 0.0 113.379 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -80.41 -27.14 38.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 117.798 0.799 . . . . 0.0 112.34 175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.99 -33.31 75.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 111.92 173.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.94 -48.32 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.46 0.704 . . . . 0.0 110.77 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.28 94.42 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.87 0.759 . . . . 0.0 112.141 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -62.27 -33.31 74.38 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.194 0.998 . . . . 0.0 112.852 176.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.93 -36.39 21.46 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -69.63 -43.9 71.72 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.904 1.282 . . . . 0.0 111.699 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 p -92.53 -25.77 18.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.534 1.534 . . . . 0.0 113.319 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.7 m80 83.09 20.59 0.2 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.78 2.832 . . . . 0.0 112.423 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -63.47 149.56 45.79 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.601 -1.312 . . . . 0.0 112.626 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.4 132.77 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 109.111 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.64 -177.45 51.53 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.18 0.895 . . . . 0.0 113.541 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.3 mt -136.16 156.94 47.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.667 1.587 . . . . 0.0 111.325 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -172.98 156.59 3.34 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.818 2.447 . . . . 0.0 108.721 -171.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 m -52.53 -31.62 36.46 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.353 1.461 . . . . 0.0 114.543 -169.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.5 -36.87 83.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.087 0.955 . . . . 0.0 112.261 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -72.96 -39.77 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.063 -1.023 . . . . 0.0 110.251 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.68 -33.21 68.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.58 -45.37 93.23 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.597 -0.689 . . . . 0.0 111.283 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.2 m -66.88 -34.14 77.14 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.346 -0.846 . . . . 0.0 112.766 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.53 -33.11 73.27 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.661 1.118 . . . . 0.0 113.471 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.81 -44.36 96.99 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.331 -0.856 . . . . 0.0 111.498 172.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -74.16 -29.33 61.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.936 0.894 . . . . 0.0 112.659 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -68.81 -34.09 74.94 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.356 1.863 . . . . 0.0 112.825 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -144.98 -42.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.73 -39.19 73.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.364 1.438 . . . . 0.0 112.031 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.4 m -68.54 -17.79 64.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 170.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 124.825 1.25 . . . . 0.0 113.995 179.288 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.17 74.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.112 0.965 . . . . 0.0 113.238 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -66.42 -34.02 77.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.92 0.888 . . . . 0.0 112.15 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -74.64 -33.01 62.45 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.977 0.808 . . . . 0.0 111.297 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.3 -47.5 73.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.345 0.658 . . . . 0.0 110.99 169.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.97 76.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.502 1.121 . . . . 0.0 113.047 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.18 -30.66 71.58 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -29.39 55.73 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.6 mt -50.22 -46.37 54.59 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.543 1.137 . . . . 0.0 112.664 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -65.08 -23.77 67.26 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.414 1.085 . . . . 0.0 113.071 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.25 -36.95 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.098 0.959 . . . . 0.0 111.03 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -86.87 -8.63 57.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.224 1.41 . . . . 0.0 113.2 174.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 11.39 74.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.662 1.125 . . . . 0.0 114.12 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.17 162.71 27.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.609 1.164 . . . . 0.0 111.633 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.94 123.03 4.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.974 1.71 . . . . 0.0 109.333 172.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -137.24 150.64 47.99 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.031 1.333 . . . . 0.0 111.574 -172.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -79.39 162.35 25.58 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.771 0.828 . . . . 0.0 111.939 168.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -53.77 -37.67 63.68 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.501 1.12 . . . . 0.0 112.194 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.62 68.29 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.02 -38.97 18.58 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.553 0.741 . . . . 0.0 110.587 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.83 -42.52 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.983 0.913 . . . . 0.0 111.355 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.17 -34.25 66.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.87 0.868 . . . . 0.0 112.335 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -67.8 -29.75 69.01 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.741 1.155 . . . . 0.0 112.98 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.93 -40.45 24.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.968 1.258 . . . . 0.0 111.418 171.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.36 -40.13 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.424 0.689 . . . . 0.0 111.165 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.14 -48.81 61.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 111.564 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.28 -43.51 86.2 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.357 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.29 -39.69 76.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.268 0.94 . . . . 0.0 112.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.02 -41.56 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 111.871 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -73.54 -42.26 61.93 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.89 0.876 . . . . 0.0 112.856 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CD2' HD12 ' A' ' 70' ' ' LEU . 73.1 m-85 -95.01 -16.39 22.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.757 1.223 . . . . 0.0 113.652 -175.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.26 7.22 86.86 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.214 1.388 . . . . 0.0 114.466 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.06 142.89 27.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.856 1.263 . . . . 0.0 110.368 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -71.31 158.26 36.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.933 1.349 . . . . 0.0 114.235 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.88 -36.97 68.21 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.587 2.755 . . . . 0.0 113.207 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.05 -28.29 68.96 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.567 1.147 . . . . 0.0 112.695 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.18 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.9 0.762 . . . . 0.0 111.54 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.86 89.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.004 0.922 . . . . 0.0 112.269 177.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -74.69 -42.98 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.013 0.925 . . . . 0.0 111.703 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.83 -42.62 9.62 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 118.804 0.729 . . . . 0.0 114.464 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -75.63 -20.77 58.27 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.651 1.225 . . . . 0.0 112.378 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -28.04 69.71 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.858 1.263 . . . . 0.0 112.43 173.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.05 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.122 0.969 . . . . 0.0 110.936 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.54 75.0 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.118 0.967 . . . . 0.0 112.762 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.32 -44.59 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.315 0.646 . . . . 0.0 111.073 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.3 -42.53 99.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.04 0.936 . . . . 0.0 112.74 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -69.95 -45.23 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.861 0.755 . . . . 0.0 112.123 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.0 t -61.43 -40.31 93.98 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.225 1.01 . . . . 0.0 112.943 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.0 p -80.46 -18.3 49.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.5 m80 71.96 10.67 6.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 128.05 2.54 . . . . 0.0 113.213 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -72.27 157.68 37.26 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.869 1.268 . . . . 0.0 112.923 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.31 148.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.953 1.701 . . . . 0.0 110.254 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 172.04 39.82 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.296 0.95 . . . . 0.0 112.914 -171.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.6 mt -136.15 153.97 51.11 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.423 1.489 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 t -172.49 155.37 3.4 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.346 2.258 . . . . 0.0 109.259 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -54.85 -30.28 57.21 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -164.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.14 -33.6 75.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.794 0.838 . . . . 0.0 112.527 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.3 mt -73.2 -42.71 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.304 1.042 . . . . 0.0 109.844 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.55 -32.32 69.71 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.732 -0.605 . . . . 0.0 112.586 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -66.99 -40.12 87.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.98 0.912 . . . . 0.0 111.613 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -66.14 -40.13 90.36 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.282 -0.886 . . . . 0.0 112.261 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -53.62 -31.28 46.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.216 1.407 . . . . 0.0 114.254 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -54.41 -34.94 62.31 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.994 0.918 . . . . 0.0 112.7 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.27 -15.44 24.49 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 112.76 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.63 -17.85 40.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.541 1.136 . . . . 0.0 113.106 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -152.04 -49.71 0.11 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 34' ' ' TYR . 3.7 mm? -68.51 -44.65 74.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.868 1.213 . . . . 0.0 113.569 -169.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -65.93 -23.98 66.73 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt . . . . . 0 N--CA 1.473 0.705 0 O-C-N 121.08 -1.013 . . . . 0.0 111.32 173.71 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.96 85.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.409 1.084 . . . . 0.0 112.743 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -70.37 -28.1 64.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.798 0.839 . . . . 0.0 112.311 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -81.43 -27.63 34.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.412 0.685 . . . . 0.0 111.853 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -82.51 -45.21 14.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.033 0.933 . . . . 0.0 112.172 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.09 65.33 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -170.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.16 -33.08 73.81 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.0 -22.85 55.39 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.01 -48.56 64.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.703 1.201 . . . . 0.0 112.205 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -72.12 -11.54 60.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.563 1.145 . . . . 0.0 113.748 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -73.59 -40.17 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.065 0.848 . . . . 0.0 109.939 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.03 -13.88 49.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.907 1.283 . . . . 0.0 113.188 174.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.01 11.95 59.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.21 1.386 . . . . 0.0 114.255 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -74.07 160.32 31.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.561 1.18 . . . . 0.0 111.016 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -153.71 133.44 13.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.417 1.487 . . . . 0.0 109.527 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -130.69 148.07 52.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.895 1.278 . . . . 0.0 111.891 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.12 161.0 29.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.17 0.588 . . . . 0.0 111.135 162.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -55.2 -34.89 64.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.319 1.048 . . . . 0.0 112.583 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.89 -30.71 70.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.638 0.775 . . . . 0.0 112.92 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.07 -34.25 22.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.723 0.809 . . . . 0.0 111.576 174.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.5 -47.06 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.424 1.011 . . . . 0.0 110.082 171.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -56.16 -39.03 71.71 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.478 1.111 . . . . 0.0 111.745 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -58.28 -46.54 85.87 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.529 1.058 . . . . 0.0 112.108 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.14 -38.1 72.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.682 1.128 . . . . 0.0 112.268 176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.06 -41.21 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.38 0.991 . . . . 0.0 110.989 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.22 -37.49 80.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.882 0.765 . . . . 0.0 111.99 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.8 -47.24 81.69 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.85 1.205 . . . . 0.0 110.546 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.7 m -58.04 -36.08 72.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.44 -40.65 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.424 1.09 . . . . 0.0 111.678 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.18 -50.47 10.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.991 0.814 . . . . 0.0 112.855 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -82.36 -19.68 38.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.945 1.298 . . . . 0.0 113.396 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.31 4.11 88.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.249 1.404 . . . . 0.0 114.799 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.88 148.49 25.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.07 1.348 . . . . 0.0 111.202 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.52 151.2 47.77 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -41.89 70.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.411 2.284 . . . . 0.0 113.859 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.29 -21.78 66.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.172 -0.955 . . . . 0.0 113.332 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.84 -44.96 11.17 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.143 0.878 . . . . 0.0 111.138 170.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -44.54 94.88 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.165 0.986 . . . . 0.0 111.524 174.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.35 -41.59 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 118.731 0.696 . . . . 0.0 111.935 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.27 -44.97 32.64 Favored Glycine 0 N--CA 1.469 0.858 0 CA-C-N 118.702 0.683 . . . . 0.0 113.927 -172.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.21 -19.05 61.18 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.471 1.135 . . . . 0.0 112.889 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.92 -26.58 66.92 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.978 0.911 . . . . 0.0 112.284 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.55 -43.64 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.321 1.048 . . . . 0.0 110.738 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 -11.31 54.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.714 1.206 . . . . 0.0 113.725 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -94.43 -65.99 0.95 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.255 1.022 . . . . 0.0 110.741 166.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.0 m -74.93 -38.88 61.66 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -164.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -77.95 -40.81 38.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.053 0.541 . . . . 0.0 110.415 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.0 m -63.81 -41.54 97.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 p -86.87 -7.93 57.75 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 m80 68.74 49.99 0.67 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.95 2.1 . . . . 0.0 112.252 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -70.22 161.19 30.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.583 1.153 . . . . 0.0 113.166 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.28 -17.19 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.57 -149.28 14.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.376 0.989 . . . . 0.0 113.14 -171.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.0 mt -129.34 142.36 50.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.081 1.752 . . . . 0.0 109.962 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -148.54 166.07 29.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.068 1.747 . . . . 0.0 110.342 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 p -57.0 -28.45 62.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -75.17 -40.91 59.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 111.778 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -68.58 -41.37 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.175 -0.953 . . . . 0.0 110.918 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.9 -24.47 55.63 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.461 1.028 . . . . 0.0 113.042 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -66.71 -43.55 84.02 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.336 0.971 . . . . 0.0 111.162 164.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -66.35 -31.42 72.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.258 -0.901 . . . . 0.0 112.641 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.35 -33.23 70.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.473 1.109 . . . . 0.0 112.964 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.82 -45.41 92.72 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.58 0.627 . . . . 0.0 110.807 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.48 -31.72 71.21 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.099 -1.001 . . . . 0.0 112.659 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -71.3 -25.78 62.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.544 1.138 . . . . 0.0 113.735 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -150.36 -48.42 0.13 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.2 -43.61 77.68 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.854 1.206 . . . . 0.0 112.451 -173.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -67.95 -22.28 65.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.095 0.958 . . . . 0.0 112.902 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.7 mttt . . . . . 0 CA--C 1.546 0.796 0 O-C-N 120.854 -1.154 . . . . 0.0 112.854 171.188 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.49 74.05 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.361 -0.837 . . . . 0.0 112.226 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -67.45 -29.25 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.22 1.008 . . . . 0.0 112.092 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.04 -56.91 4.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.875 0.87 . . . . 0.0 110.653 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.34 -33.66 76.36 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.29 -21.5 65.28 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -69.27 -26.84 64.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.03 0.832 . . . . 0.0 112.466 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.65 -35.27 24.71 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.964 0.802 . . . . 0.0 111.827 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.0 -36.09 67.52 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.443 1.019 . . . . 0.0 112.275 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -68.68 -17.68 64.13 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.193 1.397 . . . . 0.0 113.8 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -81.06 -41.82 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.307 0.958 . . . . 0.0 110.84 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -87.03 -13.28 44.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.575 1.15 . . . . 0.0 113.672 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.89 27.93 48.22 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.491 1.043 . . . . 0.0 113.38 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -77.77 101.38 6.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.313 1.445 . . . . 0.0 110.768 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -83.5 46.92 1.2 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.683 1.593 . . . . 0.0 112.167 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.05 143.55 54.26 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.718 1.207 . . . . 0.0 112.369 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.33 154.79 32.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.562 0.745 . . . . 0.0 111.058 167.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.85 -33.32 55.97 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.299 1.04 . . . . 0.0 112.893 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.84 70.17 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.56 -33.72 21.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.501 0.721 . . . . 0.0 111.477 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.03 -46.15 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.038 1.29 . . . . 0.0 109.99 173.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -56.3 -34.62 66.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.637 0.775 . . . . 0.0 112.346 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -65.96 -34.47 78.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.577 1.08 . . . . 0.0 112.911 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.89 -40.36 40.12 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.624 1.102 . . . . 0.0 111.54 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.28 -37.95 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.168 0.587 . . . . 0.0 111.465 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.03 -38.44 70.55 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.083 0.953 . . . . 0.0 112.005 173.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.26 -44.3 92.16 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.036 0.834 . . . . 0.0 110.802 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.13 -34.34 76.18 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.683 0.793 . . . . 0.0 112.278 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.53 -42.12 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.787 1.235 . . . . 0.0 111.515 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -75.71 -50.27 15.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.916 1.286 . . . . 0.0 112.361 -175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -85.33 -23.4 28.09 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.725 1.21 . . . . 0.0 113.373 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 7.6 82.91 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.606 1.098 . . . . 0.0 114.081 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -93.56 147.12 23.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.574 1.55 . . . . 0.0 110.643 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -68.35 147.22 52.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -27.96 53.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.171 1.788 . . . . 0.0 115.447 -174.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.75 -31.2 62.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.133 0.973 . . . . 0.0 113.366 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.84 -25.56 60.02 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.013 0.816 . . . . 0.0 112.964 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -82.88 -52.67 6.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.252 . . . . 0.0 110.884 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -74.58 -41.83 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 112.014 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.35 34.59 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 121.726 -0.609 . . . . 0.0 113.242 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -79.91 -19.17 48.76 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.859 0.83 . . . . 0.0 112.828 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.67 -32.49 73.57 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.055 0.942 . . . . 0.0 112.032 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -46.78 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.391 1.077 . . . . 0.0 111.245 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -33.63 75.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.482 1.113 . . . . 0.0 113.098 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -67.3 -50.04 61.81 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.698 0.799 . . . . 0.0 110.78 173.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.0 m -63.37 -39.1 93.61 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.004 0.922 . . . . 0.0 113.337 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.5 p -71.16 -45.71 62.93 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.507 1.048 . . . . 0.0 112.636 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -64.59 -32.37 73.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.7 p -90.53 -26.67 19.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.418 1.087 . . . . 0.0 113.139 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 71.89 32.11 1.94 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.904 2.082 . . . . 0.0 112.514 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.62 154.55 40.24 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.551 -1.343 . . . . 0.0 113.378 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -76.47 -6.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.82 -163.43 36.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.436 1.493 . . . . 0.0 112.747 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.2 mt -111.81 139.57 47.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.033 1.333 . . . . 0.0 111.369 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -146.61 162.44 38.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.89 2.476 . . . . 0.0 108.853 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 m -55.83 -30.63 61.74 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.84 -32.88 73.72 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.707 1.203 . . . . 0.0 112.505 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.8 mt -76.59 -40.65 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.096 0.958 . . . . 0.0 109.728 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.15 -29.83 64.43 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.691 0.678 . . . . 0.0 112.3 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.51 -45.86 85.43 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.786 0.721 . . . . 0.0 111.176 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -64.33 -34.85 79.09 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.322 -0.861 . . . . 0.0 112.976 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.53 -28.13 65.16 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -56.71 -38.79 72.8 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.415 0.686 . . . . 0.0 112.367 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -88.94 -13.88 37.97 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.794 1.238 . . . . 0.0 112.781 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -88.84 -20.47 24.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.85 1.26 . . . . 0.0 112.979 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -151.32 -43.96 0.11 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.37 -37.57 83.41 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.617 1.099 . . . . 0.0 113.345 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.7 p -71.15 -19.55 62.41 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 124.702 1.201 . . . . 0.0 113.468 -178.361 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -25.79 67.12 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -60.5 -29.8 69.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.077 1.351 . . . . 0.0 112.097 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.51 -32.2 69.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.869 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.72 -40.68 24.91 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.105 0.962 . . . . 0.0 111.0 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.94 67.91 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.273 1.029 . . . . 0.0 113.601 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.68 -29.66 70.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.127 0.971 . . . . 0.0 113.278 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -75.19 -36.66 61.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.398 0.999 . . . . 0.0 112.022 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.4 mt -56.57 -36.08 68.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.917 1.287 . . . . 0.0 112.36 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.79 -14.7 59.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.313 1.045 . . . . 0.0 113.135 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.48 -42.46 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.499 1.045 . . . . 0.0 109.483 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -88.21 -17.94 29.75 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.0 26.38 41.31 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.707 1.146 . . . . 0.0 113.722 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.91 147.32 45.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.888 1.275 . . . . 0.0 111.741 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -105.6 8.93 33.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.749 1.62 . . . . 0.0 113.649 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.3 125.51 23.11 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.844 1.258 . . . . 0.0 112.898 -172.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.81 169.5 18.19 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.182 1.393 . . . . 0.0 112.308 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.42 -37.82 57.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.185 0.994 . . . . 0.0 112.905 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.58 63.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 113.589 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.36 -40.08 11.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.219 1.008 . . . . 0.0 110.862 168.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.92 -47.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.356 1.062 . . . . 0.0 111.322 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.85 -30.17 68.78 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -72.74 -30.36 64.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.979 -1.076 . . . . 0.0 113.14 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.13 -38.89 30.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.83 1.196 . . . . 0.0 111.623 170.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.23 -36.95 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.569 0.748 . . . . 0.0 111.013 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -54.46 -45.39 73.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.125 0.97 . . . . 0.0 111.59 171.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.92 -40.9 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.933 0.788 . . . . 0.0 111.343 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.56 -22.4 65.14 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.812 1.245 . . . . 0.0 114.243 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.11 -42.47 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.658 1.183 . . . . 0.0 111.187 173.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -73.03 -43.8 61.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.659 1.184 . . . . 0.0 113.164 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.24 -20.09 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.346 1.458 . . . . 0.0 113.615 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.98 -0.34 66.83 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.244 1.402 . . . . 0.0 114.781 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -82.21 144.54 30.61 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.101 1.36 . . . . 0.0 110.429 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -73.26 161.62 30.31 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -40.41 61.65 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.836 2.054 . . . . 0.0 115.48 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -37.61 81.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.824 0.849 . . . . 0.0 111.161 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.58 -13.64 71.54 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.816 1.198 . . . . 0.0 113.717 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 mmt -92.91 -54.55 3.7 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.318 1.047 . . . . 0.0 110.698 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.41 -39.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.273 1.029 . . . . 0.0 112.07 -171.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -42.09 54.17 Favored Glycine 0 N--CA 1.472 1.05 0 O-C-N 121.465 -0.772 . . . . 0.0 113.338 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.33 -25.6 59.65 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.789 0.836 . . . . 0.0 112.732 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.51 -35.31 80.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.402 -0.811 . . . . 0.0 112.229 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.1 mt -63.62 -45.2 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.286 1.034 . . . . 0.0 110.18 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.44 96.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.012 0.925 . . . . 0.0 111.918 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.7 -48.05 82.52 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.355 0.662 . . . . 0.0 111.942 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.25 -41.8 93.98 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.447 1.099 . . . . 0.0 112.394 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -73.95 -56.17 5.28 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.47 1.508 . . . . 0.0 112.037 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -71.57 -28.28 63.73 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 p -93.78 -9.62 36.89 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.76 0.824 . . . . 0.0 113.104 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.9 t60 72.96 47.5 0.2 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.985 2.114 . . . . 0.0 112.775 168.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.08 -39.28 65.98 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.837 -1.165 . . . . 0.0 113.004 -173.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t 62.71 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 127.502 2.321 . . . . 0.0 110.206 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.45 177.0 35.79 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.848 1.213 . . . . 0.0 113.867 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 mt -132.81 149.48 52.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.91 1.684 . . . . 0.0 111.345 -172.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.0 p -146.04 168.66 20.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.737 2.015 . . . . 0.0 110.094 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -61.71 -28.14 69.21 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -73.41 -37.92 65.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.636 1.174 . . . . 0.0 111.505 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.73 -40.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.13 -0.981 . . . . 0.0 110.452 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.72 -29.36 66.73 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.079 -1.013 . . . . 0.0 113.183 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -66.34 -29.93 70.22 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 118.955 0.798 . . . . 0.0 111.95 167.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 m -80.16 -29.76 38.82 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.764 -1.21 . . . . 0.0 112.869 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.12 -32.66 71.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.38 -34.73 77.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.202 -0.936 . . . . 0.0 112.171 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -79.74 -21.44 44.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.213 1.005 . . . . 0.0 112.846 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -77.36 -45.72 25.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.984 1.314 . . . . 0.0 112.16 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -129.6 -47.25 1.17 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -172.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.49 -41.8 83.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.324 0.965 . . . . 0.0 111.552 -171.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -68.2 -32.05 72.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttm . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -174.317 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 m . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.5 66.53 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.03 1.332 . . . . 0.0 114.578 -169.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -60.65 -27.84 68.11 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 112.832 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.69 -39.97 69.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.533 0.733 . . . . 0.0 111.12 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tt -77.9 -47.21 19.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.274 1.03 . . . . 0.0 110.298 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.65 -38.62 67.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.371 1.469 . . . . 0.0 113.676 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.21 -30.72 67.89 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.628 0.771 . . . . 0.0 112.801 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -72.73 -33.09 66.18 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.83 0.741 . . . . 0.0 112.601 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.2 mt -51.23 -49.2 61.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.081 1.352 . . . . 0.0 112.222 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.45 -22.47 64.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.797 0.839 . . . . 0.0 113.156 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.1 mt -66.85 -37.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 O-C-N 121.336 -0.852 . . . . 0.0 110.159 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.33 -3.51 57.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.345 1.458 . . . . 0.0 113.401 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.6 11.35 81.96 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.594 1.093 . . . . 0.0 114.58 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.34 162.9 25.28 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.763 1.225 . . . . 0.0 110.459 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -157.43 140.64 15.39 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.742 1.217 . . . . 0.0 111.179 171.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.4 m -143.28 151.26 40.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.363 1.865 . . . . 0.0 110.552 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -77.04 164.72 25.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.113 0.565 . . . . 0.0 111.136 163.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.7 -36.9 65.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.572 0.749 . . . . 0.0 112.171 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.23 65.84 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.95 -31.59 18.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.886 0.874 . . . . 0.0 111.836 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.44 -43.87 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.662 1.119 . . . . 0.0 110.221 169.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.34 -36.73 66.61 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.193 0.997 . . . . 0.0 112.083 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -63.59 -38.83 92.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.242 0.928 . . . . 0.0 112.2 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.19 -36.69 47.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.798 1.181 . . . . 0.0 111.596 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.107 0.867 . . . . 0.0 111.541 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.49 -43.42 84.1 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.655 -0.653 . . . . 0.0 111.302 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.37 -42.38 99.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.076 0.853 . . . . 0.0 111.34 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.13 -34.26 71.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.846 0.858 . . . . 0.0 112.474 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.71 -45.32 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.536 1.135 . . . . 0.0 111.648 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.84 -35.29 67.23 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.49 -18.85 18.77 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.755 1.222 . . . . 0.0 113.132 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 8.18 73.74 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.052 1.311 . . . . 0.0 114.532 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -94.94 153.47 17.65 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.746 1.618 . . . . 0.0 111.185 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.2 140.14 57.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.028 1.331 . . . . 0.0 112.732 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -61.1 -20.25 62.41 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.874 1.67 . . . . 0.0 114.601 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.78 -29.54 64.93 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.43 1.092 . . . . 0.0 112.218 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.25 -43.82 37.34 Favored Glycine 0 C--N 1.345 1.063 0 O-C-N 121.259 -0.901 . . . . 0.0 112.085 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -66.66 -39.69 88.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.209 1.404 . . . . 0.0 111.741 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.66 -40.65 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.512 1.125 . . . . 0.0 111.218 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.48 -49.65 6.58 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 124.401 1.0 . . . . 0.0 114.112 -170.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.53 -20.35 62.82 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.656 1.228 . . . . 0.0 112.751 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.31 -29.6 70.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 112.328 173.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.11 -48.78 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 0.0 110.11 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.07 86.62 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 111.607 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.12 -50.82 66.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.426 0.69 . . . . 0.0 111.312 174.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.4 m -63.71 -33.15 74.99 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.736 0.814 . . . . 0.0 112.845 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -68.24 -46.04 71.58 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 110.12 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -63.09 -42.94 99.71 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.309 1.044 . . . . 0.0 113.708 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.0 p -79.24 -17.02 55.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.062 0.945 . . . . 0.0 113.358 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . 0.291 9.2 p-80 61.23 10.29 2.94 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.929 2.892 . . . . 0.0 115.319 -176.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.49 126.19 28.86 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.421 -1.424 . . . . 0.0 110.876 170.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.84 -8.91 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 124.517 1.127 . . . . 0.0 113.742 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.83 158.82 14.46 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 125.562 1.553 . . . . 0.0 112.784 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.39 141.31 41.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.609 1.563 . . . . 0.0 111.083 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -143.56 161.27 38.91 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.622 1.969 . . . . 0.0 109.773 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.63 -31.24 62.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.989 0.915 . . . . 0.0 113.468 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.87 -35.79 79.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.946 0.898 . . . . 0.0 112.088 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.26 -41.75 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.036 0.934 . . . . 0.0 110.27 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.58 -25.54 63.11 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.946 0.794 . . . . 0.0 112.958 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -71.59 -46.42 59.35 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.07 0.85 . . . . 0.0 111.045 166.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.7 m -65.16 -28.16 69.22 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.923 -1.111 . . . . 0.0 112.973 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.22 -29.35 65.64 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.8 1.24 . . . . 0.0 113.608 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.17 -47.81 83.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.326 0.65 . . . . 0.0 110.878 171.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -72.98 -18.93 61.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.914 0.885 . . . . 0.0 112.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -82.81 -18.42 40.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.157 1.383 . . . . 0.0 113.585 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -154.87 -60.64 0.12 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.925 0.784 . . . . 0.0 113.014 -175.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.11 -40.65 94.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.678 0.672 . . . . 0.0 112.344 -168.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.6 m -78.2 -18.85 54.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 N--CA 1.475 0.807 0 O-C-N 121.212 -0.93 . . . . 0.0 111.634 174.06 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 120.724 0.297 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -28.58 66.49 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.517 1.127 . . . . 0.0 113.6 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.14 -21.39 66.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.257 1.023 . . . . 0.0 113.649 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -82.76 -56.34 3.9 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.127 0.971 . . . . 0.0 109.764 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.46 -40.28 93.01 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.625 1.17 . . . . 0.0 111.873 -167.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -21.05 63.91 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.04 -33.76 72.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.368 -0.832 . . . . 0.0 111.58 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -77.51 -39.27 46.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.387 0.675 . . . . 0.0 111.622 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.33 -33.67 65.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.081 0.952 . . . . 0.0 112.795 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -73.62 -17.25 61.19 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.045 1.338 . . . . 0.0 113.455 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.8 mt -79.62 -44.95 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.388 0.994 . . . . 0.0 109.81 172.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.24 -10.89 51.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.025 1.33 . . . . 0.0 113.739 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 25.01 60.95 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.35 0.976 . . . . 0.0 113.299 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -77.02 107.0 9.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.55 1.14 . . . . 0.0 109.728 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.99 43.51 0.7 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.495 1.918 . . . . 0.0 113.624 -167.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.38 131.08 40.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.853 -1.154 . . . . 0.0 111.812 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.45 170.24 16.51 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.05 0.54 . . . . 0.0 111.153 160.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -49.29 -40.4 34.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.637 1.175 . . . . 0.0 113.862 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.29 64.14 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.23 -34.89 18.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.245 1.018 . . . . 0.0 111.7 172.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.52 -45.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.894 1.224 . . . . 0.0 110.666 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -57.25 -25.7 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -67.87 -42.76 80.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 120.097 1.317 . . . . 0.0 112.711 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.25 -36.59 77.29 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.258 0.936 . . . . 0.0 111.0 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.24 -42.27 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.005 0.522 . . . . 0.0 111.381 171.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.51 -47.34 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.918 0.887 . . . . 0.0 111.565 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.74 -43.41 69.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.16 0.891 . . . . 0.0 111.319 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.66 -25.57 68.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.8 t -87.71 -40.97 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.566 1.146 . . . . 0.0 111.037 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -74.72 -47.45 31.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.782 1.233 . . . . 0.0 112.136 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -93.67 -22.92 18.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.32 1.448 . . . . 0.0 113.229 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.97 70.64 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.275 1.417 . . . . 0.0 114.933 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -75.0 147.2 40.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.415 1.086 . . . . 0.0 110.571 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.76 149.2 49.29 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -48.33 -33.4 8.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.509 1.924 . . . . 0.0 115.209 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.71 -34.64 76.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.253 1.021 . . . . 0.0 112.092 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.69 -41.46 50.29 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 123.712 0.672 . . . . 0.0 111.936 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -62.7 -50.98 68.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.784 0.834 . . . . 0.0 111.232 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.08 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.388 0.675 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.11 35.48 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 118.54 0.609 . . . . 0.0 113.657 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -76.08 -23.62 55.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.259 1.03 . . . . 0.0 113.295 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.99 -34.18 77.81 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.671 0.789 . . . . 0.0 112.13 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.07 -45.35 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.027 0.931 . . . . 0.0 110.708 178.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.59 96.37 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.53 0.732 . . . . 0.0 111.843 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -67.47 -44.5 78.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.045 0.538 . . . . 0.0 112.382 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.02 -38.3 85.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.042 0.837 . . . . 0.0 112.436 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -65.85 -48.27 72.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.988 1.315 . . . . 0.0 111.001 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -72.26 -35.98 68.91 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -78.86 -26.78 44.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.434 0.694 . . . . 0.0 111.911 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 75.62 12.79 3.04 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.418 2.287 . . . . 0.0 114.45 162.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.47 151.56 45.91 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.039 -1.663 . . . . 0.0 112.654 173.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 71.5 t -81.81 123.19 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.119 0.967 . . . . 0.0 108.804 172.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.7 -162.62 53.68 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.405 1.002 . . . . 0.0 113.095 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.28 158.19 38.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.961 1.304 . . . . 0.0 111.961 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.4 p -137.93 164.85 27.98 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.487 1.915 . . . . 0.0 110.82 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -57.49 -28.54 63.5 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -73.94 -40.14 63.27 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.455 1.102 . . . . 0.0 111.95 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.01 -46.47 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.793 0.724 . . . . 0.0 110.37 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.56 -31.65 71.87 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.02 -46.62 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.039 0.836 . . . . 0.0 111.322 170.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.2 m -66.67 -30.79 71.14 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.342 -0.849 . . . . 0.0 113.115 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.6 -31.5 66.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.311 1.044 . . . . 0.0 113.578 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -57.07 -41.74 79.34 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.584 0.754 . . . . 0.0 111.524 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -85.29 -11.73 54.06 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.402 1.081 . . . . 0.0 112.717 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -95.09 -18.41 21.01 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.112 1.365 . . . . 0.0 113.666 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -147.72 -50.0 0.18 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.06 -66.33 0.56 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -73.01 -16.0 61.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.768 0.827 . . . . 0.0 112.769 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt . . . . . 0 CA--C 1.543 0.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.38 172.555 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 CA--C 1.544 0.739 0 CA-C-O 121.277 0.561 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.2 -33.24 67.29 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -68.14 -30.87 70.1 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.218 1.007 . . . . 0.0 112.481 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.0 -36.24 59.26 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.302 -0.874 . . . . 0.0 110.939 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.17 -43.61 73.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 110.301 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -33.96 74.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.947 0.899 . . . . 0.0 113.308 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -64.77 -35.38 80.9 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.624 -0.673 . . . . 0.0 111.603 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.76 -37.04 70.55 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.141 -0.974 . . . . 0.0 111.945 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -53.36 -42.4 66.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.474 1.034 . . . . 0.0 111.136 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.27 -28.18 69.16 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.045 0.938 . . . . 0.0 112.793 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.6 -39.49 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.2 -0.938 . . . . 0.0 111.682 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -85.48 -7.91 58.65 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.56 15.17 78.67 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.771 1.177 . . . . 0.0 114.06 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -76.95 164.4 25.82 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.712 1.605 . . . . 0.0 111.613 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.01 131.41 12.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.602 1.561 . . . . 0.0 110.048 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -138.46 149.72 45.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.672 1.589 . . . . 0.0 110.812 -175.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -74.84 163.94 27.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.23 0.612 . . . . 0.0 111.142 165.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -51.45 -40.71 59.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.446 1.099 . . . . 0.0 111.996 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.2 66.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -90.86 -33.57 15.61 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.143 0.977 . . . . 0.0 111.772 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.3 -47.5 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 120.661 -1.275 . . . . 0.0 109.794 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -56.94 -34.77 68.34 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.305 1.042 . . . . 0.0 112.431 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.71 -44.26 96.67 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.939 1.245 . . . . 0.0 112.477 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.03 -35.18 59.6 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.249 0.931 . . . . 0.0 112.168 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.31 -41.51 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 118.838 0.744 . . . . 0.0 110.95 171.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.64 -38.01 77.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.638 0.775 . . . . 0.0 111.842 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.19 -45.8 90.04 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.559 1.072 . . . . 0.0 110.583 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.07 -39.67 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.434 0.694 . . . . 0.0 111.791 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.02 -42.05 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.356 1.462 . . . . 0.0 112.026 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.37 -51.46 13.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.079 0.952 . . . . 0.0 112.49 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -85.57 -20.28 29.81 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.47 1.108 . . . . 0.0 113.559 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 27.56 73.6 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 123.709 0.671 . . . . 0.0 112.905 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -105.97 146.4 30.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.154 1.782 . . . . 0.0 108.685 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -68.02 158.51 32.73 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.207 1.003 . . . . 0.0 113.663 -173.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.74 -32.64 73.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.128 1.771 . . . . 0.0 113.369 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.21 -29.51 70.33 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.349 -0.844 . . . . 0.0 112.634 172.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 -15.71 81.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.833 1.206 . . . . 0.0 112.895 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 mmt -87.6 -63.77 1.25 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.235 1.018 . . . . 0.0 110.255 165.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.05 -36.64 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.992 1.317 . . . . 0.0 112.882 -166.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.81 -39.9 19.3 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 118.6 0.636 . . . . 0.0 113.036 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -75.21 -26.75 59.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.54 0.736 . . . . 0.0 112.165 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.78 -31.06 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.336 1.055 . . . . 0.0 112.711 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.47 -45.92 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.098 0.959 . . . . 0.0 110.988 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.32 93.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.484 0.714 . . . . 0.0 111.803 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.49 -49.12 72.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.897 0.879 . . . . 0.0 112.04 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.1 -36.1 80.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -69.38 -48.85 59.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.666 1.186 . . . . 0.0 110.998 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.5 p -69.57 -33.17 72.35 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -81.77 -24.56 35.93 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.256 1.022 . . . . 0.0 112.919 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 79.63 24.62 0.44 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.117 2.567 . . . . 0.0 112.413 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.21 148.18 45.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.476 1.11 . . . . 0.0 112.638 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.43 123.73 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.489 1.516 . . . . 0.0 108.289 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 174.05 43.46 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.1 0.857 . . . . 0.0 113.481 -174.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 mp -134.65 158.34 44.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.569 1.547 . . . . 0.0 110.298 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -173.64 171.78 3.76 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.794 2.838 . . . . 0.0 108.071 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.2 p -54.76 -31.16 58.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.69 -31.06 72.11 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.304 1.042 . . . . 0.0 113.132 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.9 -49.45 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.054 0.941 . . . . 0.0 108.863 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.19 -30.85 68.07 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.73 -32.07 71.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.558 0.743 . . . . 0.0 112.212 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 m -74.12 -34.67 63.98 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.068 -1.02 . . . . 0.0 111.903 172.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -62.08 -31.32 71.74 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.874 -1.141 . . . . 0.0 113.604 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.57 -49.14 77.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.599 0.76 . . . . 0.0 111.266 169.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.5 -23.48 60.04 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.691 1.196 . . . . 0.0 112.903 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -74.71 -24.99 58.84 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.776 1.63 . . . . 0.0 113.286 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -152.68 -50.77 0.1 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -169.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.68 -44.54 49.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.819 0.736 . . . . 0.0 112.099 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -72.48 -38.73 68.11 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 -169.65 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.18 83.52 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.861 0.865 . . . . 0.0 112.378 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.62 -32.45 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.934 0.894 . . . . 0.0 111.489 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -72.44 -44.74 61.97 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.053 0.541 . . . . 0.0 110.709 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.09 -39.87 95.0 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.717 0.69 . . . . 0.0 112.141 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.6 -22.45 63.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -66.6 -26.48 67.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.552 0.741 . . . . 0.0 112.601 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.9 -39.86 17.71 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.954 0.902 . . . . 0.0 112.535 172.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.9 -43.03 63.18 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.5 1.046 . . . . 0.0 112.674 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.85 -18.84 65.57 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.056 1.343 . . . . 0.0 114.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.98 -40.65 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.254 -0.904 . . . . 0.0 110.23 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.04 -6.48 59.32 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 113.4 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.55 74.11 Favored Glycine 0 N--CA 1.476 1.302 0 C-N-CA 124.582 1.087 . . . . 0.0 113.573 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.86 133.53 40.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.845 1.258 . . . . 0.0 110.553 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -114.41 121.76 44.55 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.147 1.379 . . . . 0.0 110.475 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -143.26 164.16 30.98 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.58 1.552 . . . . 0.0 111.542 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -108.64 168.95 8.97 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.304 1.442 . . . . 0.0 110.766 165.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -51.84 -39.92 59.67 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.504 1.122 . . . . 0.0 112.628 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.3 68.46 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.77 -35.56 22.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.442 0.697 . . . . 0.0 111.114 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.07 -43.46 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.454 1.101 . . . . 0.0 111.607 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.7 -37.43 65.81 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.382 0.673 . . . . 0.0 111.775 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -60.94 -30.51 70.27 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.19 -0.944 . . . . 0.0 113.404 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.99 -39.71 19.35 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.575 1.079 . . . . 0.0 111.842 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -58.4 -38.4 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 118.81 0.732 . . . . 0.0 110.953 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -56.92 -42.34 79.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.048 0.939 . . . . 0.0 112.29 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.73 -46.37 82.55 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.628 1.104 . . . . 0.0 110.776 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.6 m -56.28 -39.3 72.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.425 0.69 . . . . 0.0 112.026 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -79.86 -43.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.028 1.331 . . . . 0.0 111.914 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -69.9 -43.07 72.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.171 0.989 . . . . 0.0 111.827 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -89.83 -17.18 28.62 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.56 1.144 . . . . 0.0 113.014 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.17 53.38 9.18 Favored Glycine 0 C--N 1.343 0.961 0 C-N-CA 124.077 0.846 . . . . 0.0 111.234 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -142.76 150.75 40.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.502 1.121 . . . . 0.0 111.044 -161.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.02 138.34 42.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.137 0.975 . . . . 0.0 112.52 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -62.31 -20.23 64.12 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.104 1.761 . . . . 0.0 115.63 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.0 -32.58 71.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.289 0.949 . . . . 0.0 112.428 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.19 -44.57 43.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 121.642 -0.661 . . . . 0.0 111.859 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -62.66 -45.08 94.47 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 111.587 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.77 -42.73 47.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 118.559 0.618 . . . . 0.0 111.768 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.17 -48.12 54.89 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.687 0.676 . . . . 0.0 113.844 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.56 -21.07 59.7 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.08 -32.85 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.096 0.958 . . . . 0.0 112.218 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.5 -47.72 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.491 1.117 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.85 84.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.667 0.387 . . . . 0.0 111.615 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -64.33 -52.04 60.41 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.271 1.028 . . . . 0.0 112.052 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.0 p -72.37 -29.51 63.85 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -74.27 -46.47 41.2 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.381 174.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -67.38 -25.24 65.86 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -173.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -82.24 -19.57 39.39 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.534 1.134 . . . . 0.0 112.862 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 74.95 4.92 4.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.191 2.596 . . . . 0.0 113.896 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 135.82 54.75 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.525 -1.359 . . . . 0.0 110.982 174.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -76.61 138.81 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.773 0.829 . . . . 0.0 111.314 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.33 -162.17 53.25 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.666 0.65 . . . . 0.0 114.241 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 mt -136.97 142.52 42.6 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.722 1.609 . . . . 0.0 110.456 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.3 p -142.67 157.4 44.72 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.872 2.069 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -54.11 -30.41 48.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -170.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.13 -37.58 87.9 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 112.429 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.41 -45.56 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.205 1.002 . . . . 0.0 109.953 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.68 -30.47 70.73 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.764 -0.585 . . . . 0.0 112.572 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -72.41 -42.24 65.35 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.675 0.671 . . . . 0.0 112.185 172.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.6 m -64.06 -33.45 75.79 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.443 -0.786 . . . . 0.0 112.424 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -54.58 -27.26 37.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.77 -34.05 71.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.573 0.749 . . . . 0.0 112.452 174.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -80.15 -29.05 38.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.959 0.903 . . . . 0.0 112.642 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -78.66 -17.64 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -149.11 -48.14 0.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.5 -44.79 56.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -168.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.4 p -66.13 -23.5 66.5 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 124.849 1.26 . . . . 0.0 111.65 173.176 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 122.263 1.03 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.67 66.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.43 1.092 . . . . 0.0 112.035 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.39 -25.98 67.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.668 1.187 . . . . 0.0 112.749 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -90.97 -41.22 11.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.915 0.886 . . . . 0.0 111.358 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.83 -43.02 80.53 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.683 0.793 . . . . 0.0 112.397 -176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -25.84 67.65 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.67 -30.58 70.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.12 0.968 . . . . 0.0 112.806 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -72.21 -27.79 62.76 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.52 -35.59 70.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.851 1.26 . . . . 0.0 112.809 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -67.81 -23.01 65.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.446 1.099 . . . . 0.0 113.071 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.83 -39.3 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.05 0.94 . . . . 0.0 110.138 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -89.33 -9.87 48.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.505 1.522 . . . . 0.0 113.593 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 18.57 71.93 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.369 0.985 . . . . 0.0 113.952 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.5 163.38 22.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.956 1.703 . . . . 0.0 111.96 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -156.87 136.53 12.36 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.574 1.549 . . . . 0.0 110.716 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -154.99 156.36 35.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.629 1.972 . . . . 0.0 110.811 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -80.86 163.32 23.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 164.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.85 -39.48 62.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.969 0.908 . . . . 0.0 112.399 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.36 67.77 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -88.52 -35.08 17.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 0.0 111.758 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -61.25 -42.1 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.234 1.014 . . . . 0.0 110.692 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.88 -30.25 61.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.871 0.869 . . . . 0.0 113.308 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.67 -52.46 65.36 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.358 1.436 . . . . 0.0 111.156 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 27' ' ' LEU . 1.9 mm? -65.07 -31.45 72.67 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.662 0.664 . . . . 0.0 111.356 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.68 -41.56 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.56 171.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -57.49 -46.29 83.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.778 1.172 . . . . 0.0 111.126 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.19 -49.7 68.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.664 0.666 . . . . 0.0 112.407 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 p -63.63 -30.14 71.29 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.259 0.936 . . . . 0.0 113.145 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.28 -42.1 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.666 1.186 . . . . 0.0 111.621 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.5 -50.28 18.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.578 0.751 . . . . 0.0 112.386 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.51 -16.48 42.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.54 1.136 . . . . 0.0 113.448 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.59 3.75 83.69 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.846 1.212 . . . . 0.0 114.236 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -74.08 133.26 42.87 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 109.611 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.01 139.29 56.32 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.627 -0.67 . . . . 0.0 110.979 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -24.66 63.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -153.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -64.62 -27.23 68.8 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.542 1.064 . . . . 0.0 112.271 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.45 -36.52 38.55 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.435 1.016 . . . . 0.0 111.467 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.8 tpp -66.34 -45.23 80.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.412 1.106 . . . . 0.0 111.139 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.31 -39.26 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.805 1.242 . . . . 0.0 111.508 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.24 -40.09 50.5 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.139 0.876 . . . . 0.0 113.684 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.91 -32.2 73.8 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.679 1.24 . . . . 0.0 112.425 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.42 -31.71 70.66 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.728 1.211 . . . . 0.0 113.264 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.83 -42.61 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.495 1.118 . . . . 0.0 111.368 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.26 82.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.886 0.874 . . . . 0.0 112.199 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.53 -50.65 66.52 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.803 0.841 . . . . 0.0 111.151 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.71 -35.23 79.07 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.656 0.782 . . . . 0.0 113.071 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.5 m -65.65 -42.48 91.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.224 1.01 . . . . 0.0 110.949 174.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -68.34 -36.33 79.09 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -82.8 -27.18 31.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.115 0.87 . . . . 0.0 112.873 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 80.38 -1.93 1.94 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.55 2.74 . . . . 0.0 112.954 174.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -70.98 142.59 50.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.06 -1.65 . . . . 0.0 111.725 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.5 t -90.06 137.52 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.194 1.397 . . . . 0.0 110.373 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.37 -172.58 53.84 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.293 0.949 . . . . 0.0 114.046 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 mt -135.17 153.52 51.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.197 1.799 . . . . 0.0 110.979 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -170.8 161.31 7.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.746 2.018 . . . . 0.0 109.756 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -58.41 -28.07 64.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.591 1.157 . . . . 0.0 113.66 -171.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.62 -36.25 80.47 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.943 0.897 . . . . 0.0 111.889 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.7 mt -78.32 -41.18 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.425 1.09 . . . . 0.0 109.935 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.52 -35.58 81.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -69.52 -44.97 69.92 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.485 0.584 . . . . 0.0 112.25 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 p -72.62 -25.52 61.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.158 -0.963 . . . . 0.0 113.449 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -60.82 -35.39 76.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.166 -0.959 . . . . 0.0 113.345 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.37 -37.11 77.07 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.614 -0.679 . . . . 0.0 112.107 170.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -88.78 -19.27 26.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -171.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -17.29 51.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -158.69 -46.39 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.2 -48.04 74.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.612 1.096 . . . . 0.0 112.195 -170.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -68.47 -17.35 64.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.45 1.1 . . . . 0.0 113.227 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 CA--C 1.552 1.056 0 O-C-N 120.809 -1.182 . . . . 0.0 113.05 172.269 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.934 0.873 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.68 96.98 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.961 0.904 . . . . 0.0 111.81 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.21 -38.72 92.04 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.84 0.856 . . . . 0.0 111.608 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.574 0.749 . . . . 0.0 111.884 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.4 -42.44 92.57 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.575 0.75 . . . . 0.0 111.133 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.37 -26.59 66.55 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.51 -42.22 95.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.966 0.803 . . . . 0.0 110.748 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.21 -37.07 80.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.425 -0.798 . . . . 0.0 112.73 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.52 -50.75 62.22 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.581 1.082 . . . . 0.0 110.866 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -69.56 -24.5 63.72 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.049 0.94 . . . . 0.0 113.338 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.1 -38.44 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 119.88 1.218 . . . . 0.0 111.419 171.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -87.21 -2.52 58.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.603 1.161 . . . . 0.0 113.62 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 11.08 67.35 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.634 1.588 . . . . 0.0 114.916 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp -79.08 152.56 30.77 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 109.987 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -148.44 134.92 19.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.956 1.303 . . . . 0.0 111.061 -175.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 m -148.48 161.76 40.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.735 1.614 . . . . 0.0 112.49 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -88.38 162.92 16.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.33 1.052 . . . . 0.0 110.887 159.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.42 -35.47 60.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.612 1.165 . . . . 0.0 112.759 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.18 -24.52 64.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.238 1.015 . . . . 0.0 113.368 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -87.8 -34.05 18.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.609 0.764 . . . . 0.0 111.99 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.88 -45.0 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.064 0.946 . . . . 0.0 111.297 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.69 -26.89 67.45 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.9 -41.65 92.1 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.047 -1.033 . . . . 0.0 111.883 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -35.33 66.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.277 0.631 . . . . 0.0 111.939 176.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.76 -42.77 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.354 0.525 . . . . 0.0 110.485 172.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.95 -32.76 73.22 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.825 0.739 . . . . 0.0 112.891 173.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.21 -48.85 71.93 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.433 1.47 . . . . 0.0 110.4 171.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.19 -40.68 67.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 111.859 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.71 -43.24 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 111.901 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.61 -42.99 63.89 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.164 0.893 . . . . 0.0 112.475 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -85.23 -15.34 43.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.201 1.0 . . . . 0.0 113.326 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 46.73 40.54 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.478 1.037 . . . . 0.0 111.309 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -134.22 157.55 45.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.196 1.398 . . . . 0.0 111.174 -164.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -67.62 149.25 50.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.576 1.55 . . . . 0.0 111.807 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -31.27 72.38 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.367 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.34 -21.38 66.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.38 1.072 . . . . 0.0 113.113 175.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.68 -50.56 5.23 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.251 0.929 . . . . 0.0 111.28 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -36.38 83.93 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.778 1.231 . . . . 0.0 112.061 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.67 -45.76 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.735 0.814 . . . . 0.0 110.935 170.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.56 97.41 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.001 0.819 . . . . 0.0 114.086 -171.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -72.84 -25.88 61.27 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.241 1.021 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.56 -30.68 68.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.89 -48.36 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 118.65 0.659 . . . . 0.0 110.407 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.58 88.98 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.585 0.754 . . . . 0.0 111.866 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -65.29 -46.23 81.26 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.029 0.532 . . . . 0.0 111.47 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.1 m -62.17 -41.58 98.45 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.443 -0.786 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -66.47 -49.39 66.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.579 1.152 . . . . 0.0 111.339 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -69.57 -30.17 67.88 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.4 p -82.88 -22.89 33.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.681 0.793 . . . . 0.0 112.728 172.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 79.56 -0.66 2.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 128.207 2.603 . . . . 0.0 113.135 173.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -72.36 117.98 14.68 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.268 -1.52 . . . . 0.0 111.241 175.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.11 143.76 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.821 0.848 . . . . 0.0 110.355 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 -173.36 55.05 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.766 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -144.06 160.38 40.98 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.9 1.68 . . . . 0.0 111.919 -172.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -173.12 156.39 3.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.684 2.394 . . . . 0.0 109.137 -172.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.57 -31.07 61.87 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -165.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.14 -34.03 77.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.245 1.018 . . . . 0.0 112.291 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.04 -45.04 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.696 0.798 . . . . 0.0 109.625 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.4 -30.01 68.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.072 0.851 . . . . 0.0 113.041 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -65.64 -47.65 74.85 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.432 0.693 . . . . 0.0 111.373 168.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.4 m -64.7 -34.14 77.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.136 -0.978 . . . . 0.0 113.074 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.03 -31.96 67.5 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.139 1.375 . . . . 0.0 113.564 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -40.79 94.22 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.757 0.708 . . . . 0.0 111.795 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -80.61 -21.52 41.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.002 0.921 . . . . 0.0 113.072 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -72.51 -27.44 62.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.579 1.152 . . . . 0.0 112.854 -177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -156.02 -44.27 0.08 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.42 -37.72 85.85 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.192 0.906 . . . . 0.0 113.268 -167.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.8 p -73.16 -18.98 61.21 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 N--CA 1.471 0.583 0 C-N-CA 124.341 1.056 . . . . 0.0 113.248 -174.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.68 67.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -174.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.11 -24.49 65.03 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.977 0.911 . . . . 0.0 112.839 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -84.17 -43.76 14.64 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.472 -0.768 . . . . 0.0 110.457 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.94 -45.46 81.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.554 0.742 . . . . 0.0 111.373 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -26.25 68.35 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.15 -35.45 78.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.166 0.586 . . . . 0.0 111.309 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -72.59 -35.47 67.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.478 0.711 . . . . 0.0 112.592 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -52.26 -41.77 63.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.835 0.854 . . . . 0.0 111.965 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.83 -16.27 61.6 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -75.34 -41.01 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.256 0.935 . . . . 0.0 110.882 174.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -84.19 -14.76 49.23 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.811 1.245 . . . . 0.0 113.606 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.94 58.41 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.689 1.137 . . . . 0.0 113.704 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.14 143.34 48.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.807 1.243 . . . . 0.0 110.119 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -125.56 121.95 35.12 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.275 1.43 . . . . 0.0 110.439 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 m -144.11 141.82 30.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.642 1.577 . . . . 0.0 110.603 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.67 167.43 21.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.664 0.785 . . . . 0.0 110.792 164.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -53.99 -37.48 64.05 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.771 -0.581 . . . . 0.0 112.554 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -25.11 65.24 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -89.46 -32.13 17.37 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.186 0.994 . . . . 0.0 111.871 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.04 -46.98 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.049 1.295 . . . . 0.0 109.705 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.37 -32.64 68.76 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.606 0.762 . . . . 0.0 112.362 171.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -65.25 -36.49 84.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 120.038 1.29 . . . . 0.0 113.045 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.79 -38.23 47.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.873 1.215 . . . . 0.0 111.884 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.25 -38.72 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.933 0.788 . . . . 0.0 111.232 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.92 -48.85 66.97 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.761 1.225 . . . . 0.0 111.272 172.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.02 -44.01 94.89 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.766 0.712 . . . . 0.0 111.421 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.3 m -60.83 -28.71 69.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.138 0.975 . . . . 0.0 113.17 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -88.93 -39.21 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.134 1.373 . . . . 0.0 111.579 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.77 -50.84 18.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.726 1.21 . . . . 0.0 112.199 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -90.78 -21.48 21.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.839 1.656 . . . . 0.0 113.603 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.5 12.06 82.46 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.686 1.136 . . . . 0.0 115.055 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -91.15 2.21 56.51 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.48 1.14 . . . . 0.0 113.549 -169.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 72.75 163.84 0.28 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.44 2.296 . . . . 0.0 114.69 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.207 1.803 . . . . 0.0 113.499 -174.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.85 -31.03 71.37 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.847 0.748 . . . . 0.0 112.15 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.61 -12.91 74.31 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.704 1.145 . . . . 0.0 113.562 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 mmt -97.44 -59.45 1.78 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.7 1.25 . . . . 0.0 111.121 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.99 -38.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.197 1.399 . . . . 0.0 112.181 -166.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -25.7 60.44 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 118.458 0.572 . . . . 0.0 113.571 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.67 -27.91 22.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.465 1.106 . . . . 0.0 112.329 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.85 -28.93 67.93 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.98 1.312 . . . . 0.0 112.48 172.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.78 -40.54 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.028 0.931 . . . . 0.0 111.644 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.01 93.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.277 0.631 . . . . 0.0 111.338 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.62 -46.83 71.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.96 0.504 . . . . 0.0 111.224 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.14 -39.02 81.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.006 0.923 . . . . 0.0 112.904 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.75 -42.23 74.16 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.015 1.326 . . . . 0.0 110.978 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.2 t -64.86 -44.84 88.42 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.113 0.965 . . . . 0.0 113.452 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 t -74.66 -26.87 60.15 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.261 0.624 . . . . 0.0 112.016 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 80.31 42.45 0.06 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.121 2.568 . . . . 0.0 112.073 164.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.43 165.0 15.52 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.395 1.478 . . . . 0.0 112.857 -172.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 m -120.45 144.57 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.879 1.672 . . . . 0.0 110.101 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.84 163.59 27.62 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.465 1.031 . . . . 0.0 112.557 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.1 164.7 26.44 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.919 1.288 . . . . 0.0 111.397 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 t -173.06 158.21 3.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.226 2.21 . . . . 0.0 109.051 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -53.53 -29.33 36.18 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.186 1.394 . . . . 0.0 113.874 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.1 -30.59 71.72 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.839 0.856 . . . . 0.0 112.659 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -84.18 -51.73 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.404 1.082 . . . . 0.0 110.095 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.16 -28.53 68.85 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.73 -41.1 72.3 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.289 0.95 . . . . 0.0 111.76 170.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.7 m -70.52 -28.2 64.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.654 0.782 . . . . 0.0 113.074 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.87 -29.66 67.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.331 1.052 . . . . 0.0 113.193 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.7 -44.8 85.05 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.776 -0.578 . . . . 0.0 111.466 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.54 -36.54 78.96 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.518 -0.739 . . . . 0.0 112.257 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -65.82 -28.6 69.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.483 1.513 . . . . 0.0 113.509 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -148.49 -59.76 0.24 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -170.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.62 -45.46 90.18 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.075 0.852 . . . . 0.0 112.658 -169.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.1 t -64.43 -32.3 73.87 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.28 1.032 . . . . 0.0 112.386 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 mttm . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.642 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 121.625 0.726 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.28 71.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.731 0.813 . . . . 0.0 112.313 173.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -73.7 -37.93 65.01 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.765 0.826 . . . . 0.0 112.193 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -66.76 -39.42 87.87 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.057 0.389 . . . . 0.0 110.699 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.49 -52.88 61.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.991 0.916 . . . . 0.0 110.54 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.5 70.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.528 1.131 . . . . 0.0 113.369 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -63.57 -38.71 92.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.572 0.624 . . . . 0.0 112.074 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -65.73 -36.21 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.308 -0.87 . . . . 0.0 111.412 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.61 -30.24 68.55 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.255 -0.903 . . . . 0.0 112.831 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.52 -22.23 61.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.704 0.801 . . . . 0.0 113.127 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -77.81 -44.87 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.875 0.87 . . . . 0.0 110.496 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.02 -1.27 40.15 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.579 1.152 . . . . 0.0 113.866 -171.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.97 25.3 62.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.465 1.031 . . . . 0.0 114.336 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -79.97 102.33 9.17 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.065 1.346 . . . . 0.0 109.581 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.61 73.15 10.6 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.316 1.046 . . . . 0.0 111.711 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -85.24 159.41 20.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.84 1.656 . . . . 0.0 111.94 167.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.18 169.88 9.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.764 1.226 . . . . 0.0 110.743 159.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.27 -35.87 67.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.024 0.929 . . . . 0.0 112.577 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.05 68.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.7 -32.4 21.95 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.081 0.952 . . . . 0.0 111.856 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.9 -47.57 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.093 1.315 . . . . 0.0 110.311 168.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.28 -34.94 71.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.367 0.667 . . . . 0.0 112.02 171.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -64.94 -30.21 71.19 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.907 -1.121 . . . . 0.0 113.868 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.32 -36.43 26.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.299 1.408 . . . . 0.0 112.146 170.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.9 -37.38 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.496 1.044 . . . . 0.0 111.367 170.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.69 -45.32 77.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.98 0.912 . . . . 0.0 111.677 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.19 -41.93 96.88 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.953 0.797 . . . . 0.0 110.962 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.2 m -57.09 -41.96 79.87 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.096 0.958 . . . . 0.0 111.762 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.15 -40.48 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.081 1.352 . . . . 0.0 111.58 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.94 -47.11 63.64 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.416 1.087 . . . . 0.0 112.605 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -94.52 -9.1 36.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.067 1.347 . . . . 0.0 114.337 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 32.48 69.4 Favored Glycine 0 N--CA 1.476 1.327 0 CA-C-N 119.158 0.89 . . . . 0.0 112.823 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -124.28 154.75 39.78 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.509 1.924 . . . . 0.0 109.969 -171.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.82 157.72 35.9 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.425 1.107 . . . . 0.0 113.869 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -62.32 -38.43 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.515 1.926 . . . . 0.0 112.106 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.36 -29.44 70.51 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.803 0.841 . . . . 0.0 111.788 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.07 -34.86 61.34 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.677 1.132 . . . . 0.0 112.551 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.5 mmt -71.49 -55.34 8.07 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 117.683 0.742 . . . . 0.0 110.947 170.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.35 -37.26 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.508 0.723 . . . . 0.0 111.916 -175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.0 87.2 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.748 0.704 . . . . 0.0 114.101 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.15 -31.68 27.05 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.074 0.937 . . . . 0.0 111.836 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.18 -34.99 79.35 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.711 0.804 . . . . 0.0 112.647 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.14 -44.51 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.444 1.098 . . . . 0.0 111.414 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.475 0.58 . . . . 0.0 111.797 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -66.4 -49.68 66.0 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.055 0.542 . . . . 0.0 111.655 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.63 -32.49 72.63 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.37 -45.69 68.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 110.759 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -64.68 -42.4 95.38 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.017 0.927 . . . . 0.0 113.402 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.7 p -78.07 -25.19 47.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.148 0.979 . . . . 0.0 112.655 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 81.87 -2.85 1.56 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 129.415 3.086 . . . . 0.0 113.24 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -81.06 100.04 8.8 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.651 -1.281 . . . . 0.0 111.82 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.77 -14.5 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.406 1.082 . . . . 0.0 113.373 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.63 132.42 10.99 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.744 1.64 . . . . 0.0 110.854 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.4 161.41 14.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.283 1.033 . . . . 0.0 112.5 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.9 p -143.02 167.74 21.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.92 2.088 . . . . 0.0 109.748 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -60.3 -26.77 66.77 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -75.7 -40.66 55.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 111.595 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.47 -40.16 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.592 -0.693 . . . . 0.0 110.077 173.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.21 -38.09 75.21 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -58.47 -43.02 88.78 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.024 0.829 . . . . 0.0 111.593 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.8 m -67.71 -35.7 79.28 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 113.081 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.6 -34.5 77.96 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.687 1.13 . . . . 0.0 113.012 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.4 -42.13 91.03 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.475 -0.766 . . . . 0.0 111.366 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -71.89 -27.6 62.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -71.21 -24.25 62.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.12 1.368 . . . . 0.0 113.499 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -153.46 -36.05 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.66 -53.96 5.03 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 112.635 -168.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.7 p -77.83 -2.56 37.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 N--CA 1.478 0.953 0 C-N-CA 124.647 1.179 . . . . 0.0 113.354 162.838 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 121.016 0.436 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.3 94.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.997 0.919 . . . . 0.0 112.541 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.16 -41.5 73.74 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.991 0.516 . . . . 0.0 111.207 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -59.0 -41.03 86.69 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.384 1.073 . . . . 0.0 111.508 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -78.18 -39.48 40.62 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.062 0.545 . . . . 0.0 112.045 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -28.15 68.28 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -65.14 -20.34 66.41 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.524 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -92.63 -36.0 13.22 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.517 1.053 . . . . 0.0 112.585 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.87 -46.24 42.22 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.784 1.175 . . . . 0.0 111.698 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.18 -19.95 65.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.148 1.379 . . . . 0.0 113.68 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mm -76.91 -38.76 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.597 1.09 . . . . 0.0 111.272 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -83.08 -7.56 59.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.914 1.286 . . . . 0.0 112.995 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 13.2 73.51 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.678 1.132 . . . . 0.0 113.868 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.54 152.87 40.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.187 0.993 . . . . 0.0 110.825 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -152.38 121.46 6.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.714 1.606 . . . . 0.0 109.613 175.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.7 m -131.68 154.79 48.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.211 1.404 . . . . 0.0 112.048 -170.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.38 157.66 32.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.292 0.637 . . . . 0.0 111.184 165.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.24 -35.03 64.53 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.698 0.799 . . . . 0.0 112.388 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.21 68.6 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -86.92 -36.05 18.57 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.362 0.665 . . . . 0.0 111.832 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.11 -46.28 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 119.164 0.893 . . . . 0.0 110.583 173.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -53.86 -34.04 58.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.423 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -68.42 -35.53 77.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.79 -1.194 . . . . 0.0 113.005 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.39 -39.94 52.27 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.264 0.938 . . . . 0.0 111.038 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.81 -35.82 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.436 0.694 . . . . 0.0 112.014 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.51 -46.99 83.14 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.665 1.186 . . . . 0.0 111.399 172.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.92 -39.17 84.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.709 -0.62 . . . . 0.0 110.99 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.56 -15.44 58.03 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 174.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.48 -50.62 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.632 1.173 . . . . 0.0 111.024 168.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -72.9 -32.28 65.23 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -172.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -106.74 -21.36 13.06 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.511 1.524 . . . . 0.0 112.747 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 -8.81 24.73 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.601 1.572 . . . . 0.0 115.564 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.99 156.01 32.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.982 1.713 . . . . 0.0 112.401 -175.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -55.37 132.13 47.41 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.959 1.304 . . . . 0.0 112.608 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 2.8 mp0 -46.61 -37.69 8.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.499 2.319 . . . . 0.0 112.92 171.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -30.57 68.2 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.819 1.248 . . . . 0.0 113.081 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.92 -43.31 17.79 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.691 1.138 . . . . 0.0 111.841 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -40.42 92.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.834 0.854 . . . . 0.0 112.013 174.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -74.62 -45.11 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.074 0.95 . . . . 0.0 111.776 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -40.92 14.82 Favored Glycine 0 N--CA 1.471 0.984 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.495 -168.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.2 -22.99 61.95 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.931 1.366 . . . . 0.0 112.287 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.75 -28.99 69.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.446 1.099 . . . . 0.0 112.261 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.87 -43.68 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.375 1.07 . . . . 0.0 111.294 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.23 92.58 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.114 0.565 . . . . 0.0 111.735 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -67.36 -46.2 74.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.462 0.705 . . . . 0.0 111.797 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.83 -35.92 81.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.685 0.675 . . . . 0.0 112.618 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -66.57 -44.66 81.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.812 1.245 . . . . 0.0 110.201 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -42.0 98.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -76.98 -21.61 54.46 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.131 -0.981 . . . . 0.0 113.312 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.7 m80 73.79 -3.15 2.57 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.399 2.679 . . . . 0.0 113.804 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -72.49 146.98 46.47 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.741 -1.225 . . . . 0.0 112.39 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -94.69 135.26 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.405 1.482 . . . . 0.0 108.864 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.1 179.43 52.59 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.466 1.032 . . . . 0.0 113.948 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.91 145.71 51.61 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.222 1.809 . . . . 0.0 111.022 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -141.53 160.54 39.93 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.352 2.261 . . . . 0.0 108.87 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -54.49 -33.35 59.64 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.05 -35.85 80.77 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 112.396 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.53 -39.53 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.375 -0.828 . . . . 0.0 110.091 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -31.72 69.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 173.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.74 -37.14 81.77 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.633 1.106 . . . . 0.0 111.802 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -66.37 -39.65 89.24 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.071 -1.018 . . . . 0.0 112.712 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.1 -35.36 66.95 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.719 1.145 . . . . 0.0 113.886 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -58.43 -42.95 88.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.438 0.695 . . . . 0.0 111.966 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -83.91 -27.39 28.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.61 1.164 . . . . 0.0 112.992 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -67.05 -33.79 76.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.146 1.778 . . . . 0.0 112.771 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -149.65 -42.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.36 -54.78 27.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.432 1.015 . . . . 0.0 111.583 -173.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.2 m -64.56 -22.85 67.08 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 N--CA 1.475 0.804 0 O-C-N 121.125 -0.984 . . . . 0.0 112.675 174.026 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 121.045 0.45 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.82 71.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.064 0.946 . . . . 0.0 112.519 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.33 -32.64 74.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.758 1.223 . . . . 0.0 111.743 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -94.09 -36.89 11.89 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.89 -36.38 81.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.34 0.973 . . . . 0.0 111.798 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.15 60.47 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.42 -33.04 48.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.647 0.779 . . . . 0.0 111.735 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.28 -33.54 73.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.783 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.59 -34.83 59.78 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.341 1.057 . . . . 0.0 112.456 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -70.83 -20.74 62.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.157 0.983 . . . . 0.0 112.683 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 mm -73.34 -35.47 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.148 0.979 . . . . 0.0 111.047 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -98.34 -9.94 24.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.269 1.428 . . . . 0.0 113.523 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.6 18.63 61.54 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.753 1.168 . . . . 0.0 113.987 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 mt -76.07 159.38 30.83 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.272 1.036 . . . . 0.0 111.449 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -148.6 39.41 0.88 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.13 1.372 . . . . 0.0 111.784 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -57.8 143.11 43.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.484 1.514 . . . . 0.0 112.532 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.26 161.34 31.24 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.478 0.711 . . . . 0.0 111.809 169.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.14 -35.99 67.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.734 0.814 . . . . 0.0 112.153 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.23 67.94 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.3 mt -87.51 -34.34 18.66 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.599 0.759 . . . . 0.0 111.749 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -55.79 -46.15 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.644 1.111 . . . . 0.0 110.459 170.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.82 -34.28 67.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.295 0.638 . . . . 0.0 112.419 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.76 -29.77 67.19 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.634 -1.291 . . . . 0.0 113.269 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.55 -38.21 26.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.771 1.169 . . . . 0.0 111.072 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.27 -39.21 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 118.855 0.752 . . . . 0.0 111.282 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.25 -40.66 59.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.221 1.008 . . . . 0.0 111.62 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.93 -45.28 74.78 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.636 -0.665 . . . . 0.0 110.198 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -62.0 -30.05 70.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.875 0.87 . . . . 0.0 113.01 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -75.92 -45.43 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.467 1.107 . . . . 0.0 111.012 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -75.07 -49.74 18.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.95 0.9 . . . . 0.0 112.666 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -88.57 -17.3 30.48 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.261 1.424 . . . . 0.0 113.747 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 -0.87 62.36 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.392 1.472 . . . . 0.0 114.776 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -80.37 145.0 32.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.776 1.63 . . . . 0.0 111.233 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -63.64 149.1 47.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.145 1.378 . . . . 0.0 112.723 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.87 -34.03 52.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.071 1.748 . . . . 0.0 114.642 -170.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.78 -28.84 69.74 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.53 -17.27 79.86 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 124.365 0.983 . . . . 0.0 112.63 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.6 mmt -93.8 -53.79 3.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.152 0.981 . . . . 0.0 110.601 171.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -68.64 -43.21 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.127 0.971 . . . . 0.0 112.139 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.52 -39.93 24.39 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.735 0.698 . . . . 0.0 113.288 -174.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -69.98 -20.63 63.29 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.644 0.778 . . . . 0.0 112.951 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.28 -30.81 70.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 112.624 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.76 -41.05 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 118.651 0.659 . . . . 0.0 110.437 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.31 69.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.06 0.944 . . . . 0.0 113.032 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.15 -44.59 53.04 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.787 -0.571 . . . . 0.0 111.293 170.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.93 -39.14 91.02 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 p -68.74 -48.87 62.66 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.035 0.834 . . . . 0.0 111.728 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.9 m -66.01 -31.45 72.35 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -83.84 -26.5 29.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 172.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 72.34 11.87 5.76 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.342 2.257 . . . . 0.0 113.264 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 145.57 52.63 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.291 -1.505 . . . . 0.0 112.594 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.27 141.62 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.028 1.331 . . . . 0.0 110.568 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.08 -169.56 39.11 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.375 0.988 . . . . 0.0 113.939 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 mt -134.5 143.7 47.61 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.921 1.688 . . . . 0.0 110.204 175.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -138.72 161.84 36.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.864 2.065 . . . . 0.0 109.245 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -57.73 -29.55 64.83 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -74.46 -29.59 61.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.266 1.026 . . . . 0.0 113.247 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.96 -40.5 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.75 -31.69 69.79 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.36 -45.81 89.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.17 0.988 . . . . 0.0 110.848 170.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -65.47 -33.14 75.25 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.011 -1.056 . . . . 0.0 113.328 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.69 -34.78 74.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.422 1.01 . . . . 0.0 113.498 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.84 -36.96 75.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.792 0.724 . . . . 0.0 111.94 172.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -85.97 -15.84 40.27 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.565 1.146 . . . . 0.0 112.367 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.56 -20.89 28.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.44 1.496 . . . . 0.0 112.879 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -150.8 -51.57 0.13 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.45 -38.74 88.05 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.247 0.93 . . . . 0.0 113.017 -168.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.7 p -74.9 -23.62 58.4 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.472 0.626 0 O-C-N 121.112 -0.992 . . . . 0.0 113.187 -177.738 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.68 71.45 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.327 -0.858 . . . . 0.0 112.102 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -69.61 -22.97 63.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.035 0.934 . . . . 0.0 112.241 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -42.98 10.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.036 0.934 . . . . 0.0 111.203 173.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -36.08 80.13 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 111.799 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.74 65.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.72 -31.68 68.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.136 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -70.96 -33.01 70.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.854 0.861 . . . . 0.0 112.373 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -54.08 -32.91 56.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.206 1.403 . . . . 0.0 112.525 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.68 -29.11 70.4 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.418 1.487 . . . . 0.0 112.315 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.8 mm -83.6 -39.35 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.768 1.227 . . . . 0.0 110.475 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -84.82 -6.94 59.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.823 1.249 . . . . 0.0 113.618 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.57 70.73 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.735 1.16 . . . . 0.0 113.247 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.37 161.46 20.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.435 1.494 . . . . 0.0 112.154 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -153.3 129.67 10.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.968 1.707 . . . . 0.0 109.971 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 m -149.33 156.59 42.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.134 1.774 . . . . 0.0 111.238 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.55 154.45 34.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.106 0.562 . . . . 0.0 110.921 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.22 -33.77 59.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.36 1.064 . . . . 0.0 112.656 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.17 70.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.72 0.808 . . . . 0.0 112.702 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.06 -35.81 25.43 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.691 0.678 . . . . 0.0 112.132 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.61 -45.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.195 0.907 . . . . 0.0 110.752 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.64 -29.37 69.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.174 0.99 . . . . 0.0 112.775 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -65.8 -34.14 77.48 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 174.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.03 -35.44 66.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.917 1.235 . . . . 0.0 111.707 172.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.34 -40.7 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 118.798 0.726 . . . . 0.0 110.748 170.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.31 -31.79 69.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.293 1.037 . . . . 0.0 111.964 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.77 -46.7 44.03 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.663 -1.273 . . . . 0.0 110.757 171.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.17 -37.39 72.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.789 1.177 . . . . 0.0 112.734 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -73.47 -33.38 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.954 1.302 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -90.81 -46.28 8.31 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.337 0.971 . . . . 0.0 113.033 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -82.49 -20.44 36.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.408 1.083 . . . . 0.0 112.561 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.6 2.45 88.02 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.803 1.668 . . . . 0.0 114.784 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -90.54 143.29 26.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.265 1.426 . . . . 0.0 110.538 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -72.26 161.78 30.38 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.9 -40.08 60.13 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.698 2.399 . . . . 0.0 112.843 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.15 -25.29 66.9 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.0 -52.37 4.1 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 124.413 1.006 . . . . 0.0 110.936 172.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -38.91 84.41 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.933 . . . . 0.0 112.777 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.65 -48.87 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.141 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.22 -26.22 62.22 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 115.244 0.857 . . . . 0.0 115.244 -166.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -85.57 -16.1 40.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.427 1.114 . . . . 0.0 113.437 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.58 -27.32 67.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.614 1.166 . . . . 0.0 112.997 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.8 mp -62.23 -31.29 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.872 0.869 . . . . 0.0 111.15 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.4 78.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.692 0.797 . . . . 0.0 112.922 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.51 -47.43 69.98 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.118 0.967 . . . . 0.0 110.43 175.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 81.8 m -60.84 -38.48 85.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.11 0.964 . . . . 0.0 112.494 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -65.7 -49.27 69.15 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.965 1.306 . . . . 0.0 110.549 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -65.6 -34.49 78.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.4 p -87.26 -23.71 24.61 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 76.95 5.58 3.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 128.678 2.791 . . . . 0.0 112.737 -175.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -69.83 135.02 49.16 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.927 -1.108 . . . . 0.0 112.365 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -93.5 -4.64 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.97 1.308 . . . . 0.0 113.847 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.84 161.66 24.58 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.611 1.577 . . . . 0.0 113.21 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.58 161.96 28.38 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.469 1.508 . . . . 0.0 111.716 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -141.51 168.53 19.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.921 2.088 . . . . 0.0 109.732 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -60.7 -28.12 68.4 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.16 -33.34 61.49 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.119 0.968 . . . . 0.0 112.114 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -69.78 -42.42 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.45 -0.781 . . . . 0.0 110.361 174.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.53 -26.68 62.75 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.139 0.881 . . . . 0.0 113.304 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.2 -39.0 82.57 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.108 -0.995 . . . . 0.0 111.404 166.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -66.96 -37.81 84.95 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.305 -0.872 . . . . 0.0 112.721 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.06 -34.81 45.17 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.591 1.557 . . . . 0.0 113.883 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -55.82 -43.58 77.07 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.786 1.234 . . . . 0.0 112.527 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -95.23 -27.32 15.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.434 1.493 . . . . 0.0 112.267 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -69.39 -37.42 77.53 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.909 1.684 . . . . 0.0 112.226 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -144.62 -40.25 0.26 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -54.22 25.97 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.533 1.06 . . . . 0.0 113.354 -169.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.8 p -64.67 -40.13 94.87 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.4 -0.813 . . . . 0.0 112.414 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 179.519 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -104.61 154.97 19.26 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.813 0.845 . . . . 0.0 112.894 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.67 -4.0 57.97 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.912 1.285 . . . . 0.0 113.911 166.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m 78.15 96.19 0.06 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.774 2.43 . . . . 0.0 113.043 171.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.15 68.38 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.063 0.945 . . . . 0.0 113.477 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.01 -28.25 68.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.872 0.869 . . . . 0.0 113.034 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -81.6 -34.47 30.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.933 0.788 . . . . 0.0 110.895 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -67.71 -43.13 80.78 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.072 0.949 . . . . 0.0 111.006 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.83 66.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.361 1.465 . . . . 0.0 114.389 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.0 -30.87 71.88 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.9 0.773 . . . . 0.0 112.589 176.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -79.55 -39.38 31.98 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.205 0.602 . . . . 0.0 112.064 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -55.83 -34.47 65.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.537 1.135 . . . . 0.0 112.387 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -71.69 -19.24 62.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.131 1.372 . . . . 0.0 113.033 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.9 mt -77.42 -45.55 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.763 1.165 . . . . 0.0 109.984 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -93.27 -5.98 48.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.829 1.252 . . . . 0.0 113.644 -171.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.06 28.36 54.18 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.625 1.107 . . . . 0.0 113.458 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -80.76 89.19 5.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.459 1.504 . . . . 0.0 109.773 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -73.61 110.72 8.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.604 0.762 . . . . 0.0 112.123 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.9 m -134.86 144.56 47.62 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.136 2.174 . . . . 0.0 110.622 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -79.81 164.1 23.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.138 0.575 . . . . 0.0 111.082 160.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.17 -38.26 51.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.287 1.035 . . . . 0.0 112.661 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.01 -28.93 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -87.77 -27.9 22.03 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.043 0.937 . . . . 0.0 112.143 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.13 -47.29 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 119.677 1.126 . . . . 0.0 110.117 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -62.03 -28.19 69.41 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.606 0.762 . . . . 0.0 112.299 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -59.58 -37.72 79.25 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.674 -1.266 . . . . 0.0 112.449 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.88 -34.25 64.37 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.362 0.983 . . . . 0.0 112.053 174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.85 -44.1 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.003 0.82 . . . . 0.0 110.5 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.79 -41.99 83.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.711 -0.661 . . . . 0.0 112.281 173.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.97 -46.61 83.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.336 0.971 . . . . 0.0 111.599 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.8 m -56.1 -39.87 72.82 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.716 1.143 . . . . 0.0 112.21 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -75.36 -42.59 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.028 1.331 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -69.39 -43.1 74.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.544 0.738 . . . . 0.0 112.219 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -87.71 -17.06 32.59 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.198 0.999 . . . . 0.0 112.95 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.17 58.45 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.249 0.928 . . . . 0.0 111.453 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -127.84 140.64 51.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.467 1.507 . . . . 0.0 110.684 -164.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.26 141.13 58.13 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.843 0.857 . . . . 0.0 112.726 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -63.42 -21.3 66.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.931 1.693 . . . . 0.0 115.415 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.03 -22.34 66.79 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.637 1.108 . . . . 0.0 112.569 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.98 -50.42 6.89 Favored Glycine 0 C--N 1.342 0.912 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -37.37 84.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.285 1.034 . . . . 0.0 112.637 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -79.58 -44.95 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.621 0.768 . . . . 0.0 111.199 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -44.64 47.53 Favored Glycine 0 N--CA 1.47 0.929 0 CA-C-N 118.993 0.815 . . . . 0.0 114.313 -170.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -76.38 -22.19 55.11 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 117.833 0.816 . . . . 0.0 112.646 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.35 -28.98 68.41 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.835 1.254 . . . . 0.0 112.675 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.63 -42.96 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.538 0.735 . . . . 0.0 111.004 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.62 84.16 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.252 0.621 . . . . 0.0 112.127 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -65.58 -47.99 73.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.562 0.745 . . . . 0.0 111.33 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -62.25 -35.34 78.65 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.2 m -65.05 -47.01 78.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.365 1.066 . . . . 0.0 111.185 172.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.2 m -64.22 -34.58 78.41 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.5 p -83.62 -15.02 50.6 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 71.2 7.41 6.12 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 128.306 2.643 . . . . 0.0 113.237 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.55 127.24 32.66 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.722 -1.236 . . . . 0.0 112.707 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.26 -12.17 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 C-N-CA 124.517 1.127 . . . . 0.0 113.969 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.68 150.5 20.85 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.275 1.893 . . . . 0.0 112.361 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.66 162.41 13.09 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.613 1.165 . . . . 0.0 112.08 -173.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.3 p -134.49 165.38 25.33 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.066 1.747 . . . . 0.0 110.766 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.9 p -59.09 -25.2 63.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -75.33 -43.29 51.47 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.888 0.875 . . . . 0.0 111.405 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.5 mt -61.85 -49.35 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 CA-C-N 119.37 0.987 . . . . 0.0 110.863 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.33 -20.33 61.5 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -72.61 -50.33 26.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.285 0.948 . . . . 0.0 111.049 167.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m -64.2 -29.13 70.25 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.095 -1.003 . . . . 0.0 113.369 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -55.04 -30.87 60.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.62 1.168 . . . . 0.0 113.536 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.4 -39.31 90.23 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.29 0.636 . . . . 0.0 112.35 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -91.07 -26.1 19.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.935 1.294 . . . . 0.0 112.873 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -73.26 -24.42 60.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.549 1.539 . . . . 0.0 112.77 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -148.77 -45.49 0.15 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.9 -48.87 27.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.072 0.851 . . . . 0.0 113.192 -168.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.5 p -68.87 -23.91 64.28 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.037 -1.039 . . . . 0.0 113.259 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -65.01 -29.54 70.46 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.565 1.146 . . . . 0.0 113.785 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -118.19 -3.23 11.06 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.19 1.396 . . . . 0.0 114.712 -170.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 43.8 tp -56.83 124.84 19.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.329 1.451 . . . . 0.0 113.108 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 p -81.24 -23.39 38.07 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -71.14 -20.18 62.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.635 1.174 . . . . 0.0 113.444 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.81 -10.79 49.86 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.411 1.484 . . . . 0.0 113.977 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.284 1.434 . . . . 0.0 112.938 -176.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mtp . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -163.68 169.02 19.09 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.869 1.267 . . . . 0.0 112.19 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.76 87.03 2.21 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.773 1.229 . . . . 0.0 111.016 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 t -70.76 137.51 49.69 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.78 71.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.676 1.19 . . . . 0.0 113.66 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -70.92 -27.83 64.07 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -79.6 -29.46 41.17 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.503 0.721 . . . . 0.0 110.702 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -67.8 -46.18 72.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.425 0.69 . . . . 0.0 110.625 169.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.42 -30.97 69.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.457 1.103 . . . . 0.0 113.586 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.77 -25.21 68.1 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.292 1.037 . . . . 0.0 112.421 173.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -85.12 -40.82 16.31 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.307 0.958 . . . . 0.0 112.198 171.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.49 -43.34 64.97 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.189 0.904 . . . . 0.0 112.06 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -9.9 58.77 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.626 1.17 . . . . 0.0 114.031 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -86.06 -41.4 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.71 1.141 . . . . 0.0 109.915 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -81.29 -21.29 39.43 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.27 20.23 42.74 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.796 1.188 . . . . 0.0 113.873 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.1 mt -71.44 155.87 40.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.803 1.241 . . . . 0.0 111.125 174.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -134.44 28.36 3.68 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.539 1.135 . . . . 0.0 113.737 -165.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.9 m -58.97 128.06 35.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.116 -0.99 . . . . 0.0 110.928 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -72.02 170.34 14.04 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.223 0.609 . . . . 0.0 111.036 166.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -54.41 -37.35 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.847 0.859 . . . . 0.0 112.522 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.73 -24.3 64.44 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.17 -31.93 14.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.145 0.978 . . . . 0.0 111.867 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.5 -42.76 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 119.594 1.088 . . . . 0.0 110.364 168.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.31 -31.91 62.03 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 172.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -69.96 -40.11 75.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.23 -36.84 71.97 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.517 1.053 . . . . 0.0 110.868 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.44 -42.87 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 118.46 0.573 . . . . 0.0 111.226 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.25 -43.26 78.52 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.083 0.856 . . . . 0.0 111.687 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.72 -47.53 85.88 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.103 0.865 . . . . 0.0 111.279 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.1 -32.42 68.08 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.867 -1.146 . . . . 0.0 113.315 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.22 -41.01 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.29 1.436 . . . . 0.0 111.765 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -75.77 -36.36 59.85 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.079 0.854 . . . . 0.0 113.054 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -100.53 -10.18 21.3 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.36 3.66 58.21 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.917 1.246 . . . . 0.0 114.442 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -85.18 148.54 26.05 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.563 1.545 . . . . 0.0 110.85 -174.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -67.53 156.3 37.04 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.017 0.913 . . . . 0.0 113.158 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -54.07 -35.66 62.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.188 2.195 . . . . 0.0 113.452 -174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.89 -33.59 70.68 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.798 1.239 . . . . 0.0 113.157 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.76 -32.97 56.52 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.814 0.721 . . . . 0.0 112.638 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -43.05 22.3 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.486 1.115 . . . . 0.0 111.235 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.7 t -74.62 -42.98 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.607 0.763 . . . . 0.0 112.476 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -30.48 61.87 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 118.664 0.666 . . . . 0.0 114.047 -172.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -82.75 -18.07 42.03 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.064 0.932 . . . . 0.0 112.986 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.2 tp -65.27 -23.01 66.93 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.993 -1.067 . . . . 0.0 112.289 174.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.04 -37.17 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.096 0.958 . . . . 0.0 111.436 175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.11 -21.96 66.38 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.004 0.922 . . . . 0.0 112.847 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -77.54 -66.9 0.78 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.899 0.879 . . . . 0.0 109.339 167.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.3 m -63.45 -37.53 87.65 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -166.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -72.51 -32.09 65.87 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.797 . . . . 0.0 111.693 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -75.95 -39.75 55.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.65 0.78 . . . . 0.0 112.529 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.9 p -78.56 -27.1 45.76 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.9 0.88 . . . . 0.0 112.758 176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.3 m80 78.07 5.1 2.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 128.685 2.794 . . . . 0.0 112.94 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.01 119.17 12.89 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 111.54 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.2 m -83.22 -13.93 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 124.538 1.135 . . . . 0.0 113.098 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.98 156.27 22.84 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.433 1.492 . . . . 0.0 112.1 172.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mt -129.0 139.72 51.96 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.144 1.777 . . . . 0.0 109.485 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.3 p -145.03 162.6 36.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.669 1.588 . . . . 0.0 110.649 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 m -58.11 -32.51 68.18 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.643 -0.661 . . . . 0.0 112.072 174.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.96 -39.68 75.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.136 0.974 . . . . 0.0 111.081 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.6 -44.05 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.912 0.778 . . . . 0.0 110.826 175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.23 -31.98 62.82 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.188 0.904 . . . . 0.0 113.231 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -73.44 -26.93 61.16 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.513 1.051 . . . . 0.0 112.59 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.8 t -69.96 -39.24 76.14 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.199 -1.563 . . . . 0.0 111.897 168.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -60.5 -34.78 74.58 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.094 -1.004 . . . . 0.0 113.296 172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.66 -44.16 76.96 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.971 0.508 . . . . 0.0 111.273 171.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -75.8 -26.0 56.89 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -70.03 -25.46 63.58 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.615 1.566 . . . . 0.0 113.429 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -153.36 -39.6 0.1 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -84.08 -47.28 11.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.638 1.108 . . . . 0.0 112.545 -169.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 m -64.19 -16.84 62.79 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -73.44 -3.86 30.11 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.542 1.137 . . . . 0.0 113.623 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 89.72 138.35 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 130.896 3.678 . . . . 0.0 110.336 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.2 tp -129.86 86.88 2.46 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.7 1.2 . . . . 0.0 111.675 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.4 m -69.2 -5.46 22.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.353 1.461 . . . . 0.0 114.502 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.98 -14.78 63.21 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.931 1.292 . . . . 0.0 114.037 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.25 -40.89 0.1 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.951 1.3 . . . . 0.0 114.296 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 . . . . . 0 C--O 1.251 1.137 0 C-N-CA 124.518 1.127 . . . . 0.0 112.466 178.439 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -76.95 -21.19 55.16 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -169.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.16 54.28 0.18 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.145 1.378 . . . . 0.0 111.591 -173.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t -69.5 135.78 50.59 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.073 -1.017 . . . . 0.0 110.733 171.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.62 77.15 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.531 0.732 . . . . 0.0 112.414 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -74.26 -33.86 63.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.538 0.735 . . . . 0.0 111.338 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -71.76 -35.8 70.21 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.065 0.946 . . . . 0.0 111.371 176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.9 -43.6 71.41 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.857 0.863 . . . . 0.0 111.461 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.02 -24.43 66.16 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.15 -33.09 72.86 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.874 0.761 . . . . 0.0 112.217 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -74.81 -47.32 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.838 0.745 . . . . 0.0 110.15 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.51 -36.77 69.56 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.593 1.157 . . . . 0.0 112.154 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.83 -31.42 72.37 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.792 1.637 . . . . 0.0 112.939 177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.7 mt -73.67 -42.98 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 121.436 -0.79 . . . . 0.0 110.844 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -94.82 -2.64 50.46 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.75 48.75 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.446 1.022 . . . . 0.0 114.602 172.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.42 94.22 8.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.514 1.157 . . . . 0.0 109.416 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -79.19 51.33 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.542 1.537 . . . . 0.0 112.054 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.3 145.62 54.95 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.015 1.326 . . . . 0.0 112.049 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -73.97 161.54 29.99 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.545 0.738 . . . . 0.0 111.909 170.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.02 -36.21 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.058 0.943 . . . . 0.0 111.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.62 -27.39 68.35 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.515 -0.741 . . . . 0.0 112.988 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.96 -35.47 22.02 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.554 0.742 . . . . 0.0 111.78 172.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.32 -46.25 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 119.869 1.213 . . . . 0.0 110.61 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.8 -34.76 67.99 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.161 0.984 . . . . 0.0 112.209 171.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.45 -41.36 96.58 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.161 0.891 . . . . 0.0 112.661 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.39 -35.93 60.98 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.558 1.072 . . . . 0.0 112.015 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -56.09 -43.42 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.028 0.831 . . . . 0.0 111.03 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.51 -37.79 87.43 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.698 -0.626 . . . . 0.0 112.097 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.73 -46.75 86.64 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.588 -1.32 . . . . 0.0 111.291 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.8 m -58.34 -33.32 69.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.964 0.905 . . . . 0.0 112.398 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.3 t -78.14 -41.2 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.432 1.093 . . . . 0.0 112.014 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -43.24 23.76 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.75 0.704 . . . . 0.0 112.667 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -88.47 -21.29 24.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.082 0.953 . . . . 0.0 113.215 -176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.4 3.09 69.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.45 1.024 . . . . 0.0 114.691 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -82.99 151.36 25.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.03 1.332 . . . . 0.0 109.959 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.9 p30 -68.85 164.73 21.34 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -61.19 -35.22 76.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.284 1.434 . . . . 0.0 111.922 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.42 -37.01 76.95 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.667 1.187 . . . . 0.0 111.945 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.14 -44.75 64.96 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 123.915 0.769 . . . . 0.0 112.174 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -53.82 38.73 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.926 0.891 . . . . 0.0 110.99 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.92 -39.27 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.16 0.584 . . . . 0.0 112.185 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -41.8 94.22 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.957 0.798 . . . . 0.0 113.298 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.83 -27.09 60.14 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 117.684 0.742 . . . . 0.0 112.382 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.76 -38.47 76.78 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.707 0.685 . . . . 0.0 111.686 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.7 mt -60.15 -46.34 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.137 0.975 . . . . 0.0 110.657 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.01 88.74 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 122.96 0.504 . . . . 0.0 111.52 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -66.05 -51.8 54.84 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -68.35 -27.26 66.1 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.461 1.028 . . . . 0.0 113.538 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -67.69 -44.32 78.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.989 0.916 . . . . 0.0 110.559 169.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 t -63.95 -41.38 97.61 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.6 p -79.62 -28.78 40.94 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 70.75 8.57 6.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 127.36 2.264 . . . . 0.0 114.264 170.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -70.68 152.95 43.3 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.219 -1.551 . . . . 0.0 112.126 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.1 m -76.27 129.26 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.073 0.949 . . . . 0.0 110.617 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.24 -168.5 37.88 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 123.96 0.791 . . . . 0.0 113.74 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 159.56 40.3 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.672 1.589 . . . . 0.0 109.898 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -134.02 167.02 21.39 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.037 1.735 . . . . 0.0 111.372 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -63.66 -21.54 66.43 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -77.77 -43.39 30.89 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.212 1.005 . . . . 0.0 111.049 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.43 -47.06 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.422 -0.799 . . . . 0.0 110.187 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.4 -13.59 61.89 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -79.24 -45.76 19.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.629 1.104 . . . . 0.0 110.818 164.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -63.06 -31.43 72.56 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.159 0.984 . . . . 0.0 113.091 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -57.84 -29.18 64.76 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.148 1.379 . . . . 0.0 114.034 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.28 -38.8 90.75 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.601 -0.687 . . . . 0.0 111.799 173.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -78.88 -27.14 43.95 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.066 -1.021 . . . . 0.0 112.283 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tp10 -67.84 -28.82 67.88 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.029 1.332 . . . . 0.0 113.191 -177.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -151.69 -44.45 0.11 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.41 -42.18 65.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.604 1.093 . . . . 0.0 112.714 -169.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.9 t -74.27 -16.68 60.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.399 1.08 . . . . 0.0 113.29 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -62.73 -29.85 70.99 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.671 -1.268 . . . . 0.0 113.492 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 167.28 141.45 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 129.533 3.133 . . . . 0.0 111.328 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.4 tp -116.56 113.6 22.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.822 1.649 . . . . 0.0 109.148 166.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -65.54 -17.88 64.9 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -76.29 -19.14 58.56 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.767 1.227 . . . . 0.0 113.301 172.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.18 -21.52 9.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.002 1.721 . . . . 0.0 114.496 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 124.491 1.116 . . . . 0.0 113.531 -178.782 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -72.69 152.3 41.76 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.71 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.842 2.457 . . . . 0.0 113.501 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t 80.35 147.86 0.09 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.186 2.594 . . . . 0.0 112.962 -173.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.94 97.43 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.205 1.002 . . . . 0.0 113.106 -171.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -67.09 -25.82 66.41 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -79.38 -42.69 25.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.99 0.516 . . . . 0.0 111.093 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -69.11 -40.18 78.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.918 -0.489 . . . . 0.0 111.821 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.78 70.05 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.83 -33.81 76.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 111.502 173.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -70.99 -44.06 66.73 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.119 0.872 . . . . 0.0 111.277 173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.8 mt -54.44 -39.6 67.55 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 123.908 0.883 . . . . 0.0 111.797 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -66.74 -29.79 69.86 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.51 1.124 . . . . 0.0 113.086 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.44 -42.64 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.55 1.068 . . . . 0.0 111.194 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.74 -11.69 58.11 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 20.85 57.61 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.225 1.393 . . . . 0.0 114.212 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.34 121.41 21.31 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.608 1.163 . . . . 0.0 110.955 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.83 146.15 35.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.195 0.998 . . . . 0.0 111.187 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.9 p -164.32 -179.76 6.28 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -170.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.74 168.26 23.38 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.854 2.462 . . . . 0.0 108.411 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -50.73 -38.39 47.17 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.417 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.05 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.42 -33.97 21.82 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.4 1.08 . . . . 0.0 111.505 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.84 -47.28 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 121.311 -0.868 . . . . 0.0 110.071 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.1 -34.49 72.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.967 0.907 . . . . 0.0 112.158 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -61.04 -33.11 72.79 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.958 -1.089 . . . . 0.0 113.028 174.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -87.34 -39.0 15.72 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.625 1.102 . . . . 0.0 112.479 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.57 -35.03 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 119.528 1.058 . . . . 0.0 111.416 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.36 -37.64 72.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.86 0.864 . . . . 0.0 112.062 171.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.73 -46.58 81.67 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.293 0.951 . . . . 0.0 110.534 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.35 -39.98 77.1 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.495 0.718 . . . . 0.0 112.376 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.75 -40.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.784 1.233 . . . . 0.0 111.601 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -76.95 -44.44 31.4 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.787 0.835 . . . . 0.0 112.903 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.65 -16.02 31.4 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.756 1.222 . . . . 0.0 113.84 -176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.81 33.58 66.29 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.883 0.754 . . . . 0.0 112.765 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -120.18 148.9 43.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.14 1.376 . . . . 0.0 111.46 -170.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -65.6 151.11 47.24 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.684 1.194 . . . . 0.0 113.614 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.12 -39.7 60.26 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.308 1.843 . . . . 0.0 113.336 176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.16 -32.37 73.74 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.705 1.202 . . . . 0.0 111.885 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.64 -21.5 74.76 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.484 1.04 . . . . 0.0 112.869 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.5 mmt -87.81 -61.15 1.78 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.889 0.876 . . . . 0.0 110.455 167.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -68.8 -40.58 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.183 0.993 . . . . 0.0 112.051 -165.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.77 -32.71 61.02 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 118.584 0.629 . . . . 0.0 113.094 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -78.75 -29.05 44.97 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.695 0.798 . . . . 0.0 111.851 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.21 -30.37 71.43 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.994 0.918 . . . . 0.0 112.085 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.0 mm -58.88 -52.46 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.688 0.677 . . . . 0.0 110.463 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.76 -37.45 79.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.391 0.676 . . . . 0.0 112.167 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.6 -47.35 72.96 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.708 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.31 -42.11 94.89 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.999 0.818 . . . . 0.0 112.257 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.4 m -61.98 -41.76 98.38 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.912 1.285 . . . . 0.0 111.095 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.6 m -68.21 -38.25 81.72 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.5 p -82.61 -24.54 33.82 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.718 0.807 . . . . 0.0 112.659 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.2 m80 85.82 0.16 0.7 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 130.181 3.392 . . . . 0.0 113.121 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -77.38 164.45 25.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.643 1.177 . . . . 0.0 111.956 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.76 150.52 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.837 1.655 . . . . 0.0 110.296 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.82 -11.01 73.26 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.611 1.1 . . . . 0.0 114.527 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.8 mt 69.72 164.63 0.26 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.118 2.567 . . . . 0.0 114.506 167.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 t -175.74 154.94 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.696 2.799 . . . . 0.0 108.322 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 t -52.8 -37.04 59.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.468 1.107 . . . . 0.0 113.476 -170.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.73 -37.68 79.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.654 1.182 . . . . 0.0 112.514 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.07 -43.34 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.423 -0.798 . . . . 0.0 109.991 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.69 -34.74 72.29 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.455 -0.778 . . . . 0.0 112.759 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -65.62 -36.8 84.77 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.505 0.722 . . . . 0.0 111.306 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.1 m -70.29 -41.7 73.01 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.286 -0.884 . . . . 0.0 112.279 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -53.99 -33.09 56.14 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.106 1.363 . . . . 0.0 114.056 -175.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.5 -34.37 64.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.841 0.856 . . . . 0.0 112.263 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.48 -5.71 51.29 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.703 1.201 . . . . 0.0 113.375 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -87.51 -31.83 19.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.419 1.088 . . . . 0.0 112.676 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -140.23 -43.03 0.42 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.2 -40.0 68.18 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.415 1.007 . . . . 0.0 112.658 -169.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.2 p -76.08 -14.54 60.19 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -67.31 -46.14 74.39 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.064 0.946 . . . . 0.0 112.84 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 174.46 138.12 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 128.772 2.829 . . . . 0.0 109.471 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.0 tp -137.63 126.25 23.69 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.256 1.422 . . . . 0.0 108.513 158.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.1 m -79.33 -13.51 59.6 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -89.94 143.99 26.31 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.431 1.892 . . . . 0.0 111.755 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 69.99 -41.72 0.49 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.236 2.615 . . . . 0.0 115.438 173.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 . . . . . 0 C--O 1.255 1.373 0 C-N-CA 126.612 1.965 . . . . 0.0 112.927 177.147 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 p -88.9 156.94 18.61 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.901 0.88 . . . . 0.0 113.247 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -169.9 -60.59 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.354 1.862 . . . . 0.0 112.089 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.5 p -117.18 2.69 12.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.266 1.426 . . . . 0.0 114.662 -171.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.7 -42.75 35.9 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.953 1.701 . . . . 0.0 114.482 -170.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -67.34 -25.56 66.05 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.246 1.418 . . . . 0.0 112.563 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -93.74 -43.33 8.68 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.173 . . . . 0.0 111.09 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.41 -44.25 76.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.689 1.196 . . . . 0.0 111.943 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -26.0 63.35 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.86 -22.24 56.4 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.731 0.696 . . . . 0.0 112.799 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.65 -39.51 36.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.2 0.909 . . . . 0.0 111.36 171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.4 mt -52.68 -46.89 67.45 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.526 0.731 . . . . 0.0 111.956 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.73 -15.91 62.21 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.64 -44.52 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.991 1.269 . . . . 0.0 110.194 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -79.51 -16.08 56.64 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.36 17.85 51.41 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.843 1.211 . . . . 0.0 113.886 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.11 158.8 34.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.575 1.188 . . . . 0.0 111.173 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -145.95 128.18 15.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.804 1.242 . . . . 0.0 110.654 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.0 m -140.2 145.26 37.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.93 1.692 . . . . 0.0 111.062 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -71.84 162.75 28.98 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.837 0.455 . . . . 0.0 110.829 159.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.04 -36.25 62.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.47 -26.05 65.29 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 mt -89.36 -29.26 19.24 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.077 0.951 . . . . 0.0 112.296 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 98.3 mt -60.89 -50.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.964 1.256 . . . . 0.0 109.168 166.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -53.25 -33.72 54.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.194 0.998 . . . . 0.0 112.546 170.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -66.94 -27.05 67.16 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.962 1.255 . . . . 0.0 113.732 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.61 -39.28 18.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.515 1.052 . . . . 0.0 111.754 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.4 t -61.83 -34.27 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.688 0.676 . . . . 0.0 111.616 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -53.06 -38.6 62.62 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.348 1.459 . . . . 0.0 112.0 171.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.36 -42.91 82.7 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.516 -0.74 . . . . 0.0 110.694 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.5 -36.32 80.16 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.655 0.782 . . . . 0.0 112.634 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -72.23 -42.49 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.528 1.131 . . . . 0.0 111.257 175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -75.84 -49.17 18.76 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.768 1.227 . . . . 0.0 112.739 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -95.49 -18.73 20.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.408 1.483 . . . . 0.0 113.576 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.91 80.35 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.636 1.112 . . . . 0.0 114.04 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -87.68 147.42 25.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.767 1.627 . . . . 0.0 110.787 -176.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -65.61 155.34 36.13 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 112.774 -175.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -64.44 -28.09 69.44 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.628 1.171 . . . . 0.0 113.498 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.39 -30.89 71.53 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.009 0.924 . . . . 0.0 112.133 173.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.54 -15.68 79.26 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.536 1.541 . . . . 0.0 112.841 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 mmt -87.83 -59.93 2.11 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.085 0.954 . . . . 0.0 109.773 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.76 -43.24 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 123.819 0.848 . . . . 0.0 111.695 -171.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.79 77.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 119.168 0.895 . . . . 0.0 113.379 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -80.41 -27.14 38.15 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 117.798 0.799 . . . . 0.0 112.34 175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.99 -33.31 75.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 111.92 173.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.94 -48.32 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.46 0.704 . . . . 0.0 110.77 170.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.28 94.42 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.87 0.759 . . . . 0.0 112.141 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -62.27 -33.31 74.38 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.194 0.998 . . . . 0.0 112.852 176.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.93 -36.39 21.46 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -69.63 -43.9 71.72 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.904 1.282 . . . . 0.0 111.699 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 p -92.53 -25.77 18.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.534 1.534 . . . . 0.0 113.319 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.7 m80 83.09 20.59 0.2 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.78 2.832 . . . . 0.0 112.423 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -63.47 149.56 45.79 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.601 -1.312 . . . . 0.0 112.626 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.4 132.77 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 109.111 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.64 -177.45 51.53 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.18 0.895 . . . . 0.0 113.541 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.3 mt -136.16 156.94 47.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.667 1.587 . . . . 0.0 111.325 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -172.98 156.59 3.34 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.818 2.447 . . . . 0.0 108.721 -171.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.1 m -52.53 -31.62 36.46 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.353 1.461 . . . . 0.0 114.543 -169.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.5 -36.87 83.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.087 0.955 . . . . 0.0 112.261 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.6 mt -72.96 -39.77 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.063 -1.023 . . . . 0.0 110.251 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.68 -33.21 68.64 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.58 -45.37 93.23 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.597 -0.689 . . . . 0.0 111.283 170.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.2 m -66.88 -34.14 77.14 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.346 -0.846 . . . . 0.0 112.766 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.53 -33.11 73.27 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.661 1.118 . . . . 0.0 113.471 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.81 -44.36 96.99 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.331 -0.856 . . . . 0.0 111.498 172.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -74.16 -29.33 61.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.936 0.894 . . . . 0.0 112.659 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -68.81 -34.09 74.94 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.356 1.863 . . . . 0.0 112.825 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -144.98 -42.72 0.23 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.73 -39.19 73.51 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.364 1.438 . . . . 0.0 112.031 -173.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.4 m -68.54 -17.79 64.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 170.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -90.13 -32.79 16.5 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.825 1.25 . . . . 0.0 113.995 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -164.3 126.01 2.27 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.678 1.591 . . . . 0.0 111.947 -168.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.6 tp -97.35 112.15 24.1 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.705 1.602 . . . . 0.0 108.103 154.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.8 m -70.16 -14.34 62.6 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -171.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -83.5 -13.49 54.49 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.709 1.204 . . . . 0.0 113.215 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.62 -34.76 7.64 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.745 1.618 . . . . 0.0 113.05 177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.072 1.749 . . . . 0.0 111.461 176.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -84.71 41.54 0.86 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.998 1.319 . . . . 0.0 113.967 -171.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.45 61.4 2.24 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.691 1.596 . . . . 0.0 112.555 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.3 m -62.06 128.66 37.18 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.001 -1.062 . . . . 0.0 113.04 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.17 74.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.112 0.965 . . . . 0.0 113.238 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -66.42 -34.02 77.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.92 0.888 . . . . 0.0 112.15 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -74.64 -33.01 62.45 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.977 0.808 . . . . 0.0 111.297 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.3 -47.5 73.41 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.345 0.658 . . . . 0.0 110.99 169.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.97 76.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.502 1.121 . . . . 0.0 113.047 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.18 -30.66 71.58 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.89 -29.39 55.73 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.6 mt -50.22 -46.37 54.59 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.543 1.137 . . . . 0.0 112.664 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -65.08 -23.77 67.26 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.414 1.085 . . . . 0.0 113.071 -176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.25 -36.95 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.098 0.959 . . . . 0.0 111.03 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -86.87 -8.63 57.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.224 1.41 . . . . 0.0 113.2 174.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 11.39 74.41 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.662 1.125 . . . . 0.0 114.12 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.0 mt -76.17 162.71 27.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.609 1.164 . . . . 0.0 111.633 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.94 123.03 4.4 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.974 1.71 . . . . 0.0 109.333 172.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.2 m -137.24 150.64 47.99 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.031 1.333 . . . . 0.0 111.574 -172.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -79.39 162.35 25.58 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.771 0.828 . . . . 0.0 111.939 168.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -53.77 -37.67 63.68 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.501 1.12 . . . . 0.0 112.194 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.96 -27.62 68.29 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.02 -38.97 18.58 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.553 0.741 . . . . 0.0 110.587 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.83 -42.52 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.983 0.913 . . . . 0.0 111.355 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.17 -34.25 66.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.87 0.868 . . . . 0.0 112.335 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -67.8 -29.75 69.01 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.741 1.155 . . . . 0.0 112.98 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.93 -40.45 24.53 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.968 1.258 . . . . 0.0 111.418 171.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.36 -40.13 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.424 0.689 . . . . 0.0 111.165 173.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -51.14 -48.81 61.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.176 0.99 . . . . 0.0 111.564 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.28 -43.51 86.2 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.357 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.29 -39.69 76.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.268 0.94 . . . . 0.0 112.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.6 t -76.02 -41.56 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.077 1.351 . . . . 0.0 111.871 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -73.54 -42.26 61.93 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.89 0.876 . . . . 0.0 112.856 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CD2' HD12 ' A' ' 70' ' ' LEU . 73.1 m-85 -95.01 -16.39 22.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.757 1.223 . . . . 0.0 113.652 -175.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.26 7.22 86.86 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.214 1.388 . . . . 0.0 114.466 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.06 142.89 27.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.856 1.263 . . . . 0.0 110.368 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -71.31 158.26 36.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.933 1.349 . . . . 0.0 114.235 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.88 -36.97 68.21 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.587 2.755 . . . . 0.0 113.207 -172.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.05 -28.29 68.96 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.567 1.147 . . . . 0.0 112.695 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.18 14.39 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.9 0.762 . . . . 0.0 111.54 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -37.86 89.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.004 0.922 . . . . 0.0 112.269 177.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -74.69 -42.98 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.013 0.925 . . . . 0.0 111.703 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.83 -42.62 9.62 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 118.804 0.729 . . . . 0.0 114.464 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -75.63 -20.77 58.27 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.651 1.225 . . . . 0.0 112.378 -177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -28.04 69.71 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.858 1.263 . . . . 0.0 112.43 173.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.05 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.122 0.969 . . . . 0.0 110.936 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.54 75.0 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.118 0.967 . . . . 0.0 112.762 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -69.32 -44.59 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.315 0.646 . . . . 0.0 111.073 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.3 -42.53 99.44 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.04 0.936 . . . . 0.0 112.74 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -69.95 -45.23 67.88 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.861 0.755 . . . . 0.0 112.123 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.0 t -61.43 -40.31 93.98 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.225 1.01 . . . . 0.0 112.943 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.0 p -80.46 -18.3 49.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.5 m80 71.96 10.67 6.16 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 128.05 2.54 . . . . 0.0 113.213 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -72.27 157.68 37.26 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.869 1.268 . . . . 0.0 112.923 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.31 148.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.953 1.701 . . . . 0.0 110.254 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.4 172.04 39.82 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.296 0.95 . . . . 0.0 112.914 -171.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.6 mt -136.15 153.97 51.11 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.423 1.489 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 t -172.49 155.37 3.4 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.346 2.258 . . . . 0.0 109.259 -170.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -54.85 -30.28 57.21 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -164.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.14 -33.6 75.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.794 0.838 . . . . 0.0 112.527 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.3 mt -73.2 -42.71 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.304 1.042 . . . . 0.0 109.844 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.55 -32.32 69.71 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.732 -0.605 . . . . 0.0 112.586 176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -66.99 -40.12 87.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.98 0.912 . . . . 0.0 111.613 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -66.14 -40.13 90.36 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.282 -0.886 . . . . 0.0 112.261 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -53.62 -31.28 46.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.216 1.407 . . . . 0.0 114.254 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -54.41 -34.94 62.31 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.994 0.918 . . . . 0.0 112.7 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.27 -15.44 24.49 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 112.76 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -83.63 -17.85 40.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.541 1.136 . . . . 0.0 113.106 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -152.04 -49.71 0.11 Allowed 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 34' ' ' TYR . 3.7 mm? -68.51 -44.65 74.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.868 1.213 . . . . 0.0 113.569 -169.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -65.93 -23.98 66.73 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 174.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.09 -42.05 48.51 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.08 -1.013 . . . . 0.0 111.32 173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -74.73 -46.61 36.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.104 1.761 . . . . 0.0 112.552 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 51.3 tp -86.99 108.02 18.66 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.575 0.75 . . . . 0.0 110.536 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.2 p -65.96 -16.69 64.11 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -72.08 -36.1 69.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.873 1.269 . . . . 0.0 111.664 171.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.37 -22.25 21.58 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.177 1.391 . . . . 0.0 113.496 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.766 2.026 . . . . 0.0 113.909 -177.661 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -156.68 153.68 28.88 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.932 1.293 . . . . 0.0 111.397 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.18 -23.22 60.39 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.512 0.725 . . . . 0.0 112.726 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t 76.66 131.83 0.05 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 128.003 2.521 . . . . 0.0 113.808 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.96 85.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.409 1.084 . . . . 0.0 112.743 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -70.37 -28.1 64.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.798 0.839 . . . . 0.0 112.311 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -81.43 -27.63 34.6 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.412 0.685 . . . . 0.0 111.853 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -82.51 -45.21 14.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.033 0.933 . . . . 0.0 112.172 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -23.09 65.33 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -170.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.16 -33.08 73.81 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.0 -22.85 55.39 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.01 -48.56 64.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.703 1.201 . . . . 0.0 112.205 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -72.12 -11.54 60.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.563 1.145 . . . . 0.0 113.748 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.6 mt -73.59 -40.17 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 119.065 0.848 . . . . 0.0 109.939 173.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -85.03 -13.88 49.13 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.907 1.283 . . . . 0.0 113.188 174.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.01 11.95 59.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.21 1.386 . . . . 0.0 114.255 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.7 mt -74.07 160.32 31.42 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.561 1.18 . . . . 0.0 111.016 171.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -153.71 133.44 13.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.417 1.487 . . . . 0.0 109.527 171.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -130.69 148.07 52.43 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.895 1.278 . . . . 0.0 111.891 -175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -76.12 161.0 29.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.17 0.588 . . . . 0.0 111.135 162.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -55.2 -34.89 64.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.319 1.048 . . . . 0.0 112.583 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.89 -30.71 70.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.638 0.775 . . . . 0.0 112.92 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.07 -34.25 22.28 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.723 0.809 . . . . 0.0 111.576 174.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.5 -47.06 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 119.424 1.011 . . . . 0.0 110.082 171.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -56.16 -39.03 71.71 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.478 1.111 . . . . 0.0 111.745 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -58.28 -46.54 85.87 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.529 1.058 . . . . 0.0 112.108 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.14 -38.1 72.25 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.682 1.128 . . . . 0.0 112.268 176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.06 -41.21 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 119.38 0.991 . . . . 0.0 110.989 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.22 -37.49 80.47 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 118.882 0.765 . . . . 0.0 111.99 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.8 -47.24 81.69 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.85 1.205 . . . . 0.0 110.546 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.7 m -58.04 -36.08 72.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.44 -40.65 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.424 1.09 . . . . 0.0 111.678 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -79.18 -50.47 10.92 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.991 0.814 . . . . 0.0 112.855 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -82.36 -19.68 38.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.945 1.298 . . . . 0.0 113.396 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.31 4.11 88.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.249 1.404 . . . . 0.0 114.799 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -85.88 148.49 25.77 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.07 1.348 . . . . 0.0 111.202 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.52 151.2 47.77 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -41.89 70.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.411 2.284 . . . . 0.0 113.859 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.29 -21.78 66.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.172 -0.955 . . . . 0.0 113.332 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.84 -44.96 11.17 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.143 0.878 . . . . 0.0 111.138 170.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -44.54 94.88 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.165 0.986 . . . . 0.0 111.524 174.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.35 -41.59 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 118.731 0.696 . . . . 0.0 111.935 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.27 -44.97 32.64 Favored Glycine 0 N--CA 1.469 0.858 0 CA-C-N 118.702 0.683 . . . . 0.0 113.927 -172.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -73.21 -19.05 61.18 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.471 1.135 . . . . 0.0 112.889 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.92 -26.58 66.92 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.978 0.911 . . . . 0.0 112.284 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.55 -43.64 98.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.321 1.048 . . . . 0.0 110.738 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 -11.31 54.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.714 1.206 . . . . 0.0 113.725 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -94.43 -65.99 0.95 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.255 1.022 . . . . 0.0 110.741 166.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.0 m -74.93 -38.88 61.66 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -164.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.9 m -77.95 -40.81 38.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.053 0.541 . . . . 0.0 110.415 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.0 m -63.81 -41.54 97.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 p -86.87 -7.93 57.75 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 176.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 m80 68.74 49.99 0.67 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.95 2.1 . . . . 0.0 112.252 171.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -70.22 161.19 30.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.583 1.153 . . . . 0.0 113.166 -177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.28 -17.19 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.57 -149.28 14.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.376 0.989 . . . . 0.0 113.14 -171.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.0 mt -129.34 142.36 50.84 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.081 1.752 . . . . 0.0 109.962 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -148.54 166.07 29.33 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.068 1.747 . . . . 0.0 110.342 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 p -57.0 -28.45 62.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -75.17 -40.91 59.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 111.778 173.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.7 mt -68.58 -41.37 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.175 -0.953 . . . . 0.0 110.918 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.9 -24.47 55.63 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.461 1.028 . . . . 0.0 113.042 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -66.71 -43.55 84.02 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.336 0.971 . . . . 0.0 111.162 164.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.8 m -66.35 -31.42 72.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.258 -0.901 . . . . 0.0 112.641 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.35 -33.23 70.89 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.473 1.109 . . . . 0.0 112.964 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.82 -45.41 92.72 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.58 0.627 . . . . 0.0 110.807 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.48 -31.72 71.21 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 121.099 -1.001 . . . . 0.0 112.659 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -71.3 -25.78 62.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.544 1.138 . . . . 0.0 113.735 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -150.36 -48.42 0.13 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.2 -43.61 77.68 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.854 1.206 . . . . 0.0 112.451 -173.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -67.95 -22.28 65.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.095 0.958 . . . . 0.0 112.902 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -78.36 -21.8 48.92 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.854 -1.154 . . . . 0.0 112.854 171.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -108.97 -28.0 9.36 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.215 1.806 . . . . 0.0 114.03 -165.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.26 108.5 4.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.046 0.939 . . . . 0.0 111.91 -175.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.6 p -77.78 -7.77 57.05 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.71 -23.15 65.25 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.816 -1.178 . . . . 0.0 113.038 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.06 6.93 2.65 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.277 1.431 . . . . 0.0 113.997 -174.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 C--O 1.253 1.254 0 C-N-CA 125.692 1.597 . . . . 0.0 111.75 178.014 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -72.6 135.92 45.64 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.31 93.7 6.6 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.369 1.067 . . . . 0.0 109.516 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.0 p -138.27 162.72 33.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.898 1.279 . . . . 0.0 112.65 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.49 74.05 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.361 -0.837 . . . . 0.0 112.226 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -67.45 -29.25 68.66 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.22 1.008 . . . . 0.0 112.092 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.04 -56.91 4.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.875 0.87 . . . . 0.0 110.653 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.34 -33.66 76.36 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.29 -21.5 65.28 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -69.27 -26.84 64.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.03 0.832 . . . . 0.0 112.466 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.65 -35.27 24.71 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.964 0.802 . . . . 0.0 111.827 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -56.0 -36.09 67.52 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.443 1.019 . . . . 0.0 112.275 175.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -68.68 -17.68 64.13 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.193 1.397 . . . . 0.0 113.8 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -81.06 -41.82 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.307 0.958 . . . . 0.0 110.84 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -87.03 -13.28 44.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.575 1.15 . . . . 0.0 113.672 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.89 27.93 48.22 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.491 1.043 . . . . 0.0 113.38 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -77.77 101.38 6.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.313 1.445 . . . . 0.0 110.768 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -83.5 46.92 1.2 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.683 1.593 . . . . 0.0 112.167 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -69.05 143.55 54.26 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.718 1.207 . . . . 0.0 112.369 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.33 154.79 32.49 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.562 0.745 . . . . 0.0 111.058 167.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.85 -33.32 55.97 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.299 1.04 . . . . 0.0 112.893 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.84 70.17 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 mt -85.56 -33.72 21.66 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.501 0.721 . . . . 0.0 111.477 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.03 -46.15 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 120.038 1.29 . . . . 0.0 109.99 173.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -56.3 -34.62 66.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.637 0.775 . . . . 0.0 112.346 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -65.96 -34.47 78.19 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.577 1.08 . . . . 0.0 112.911 175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.89 -40.36 40.12 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.624 1.102 . . . . 0.0 111.54 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.28 -37.95 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.168 0.587 . . . . 0.0 111.465 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.03 -38.44 70.55 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.083 0.953 . . . . 0.0 112.005 173.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -64.26 -44.3 92.16 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.036 0.834 . . . . 0.0 110.802 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.7 m -62.13 -34.34 76.18 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.683 0.793 . . . . 0.0 112.278 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -73.53 -42.12 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.787 1.235 . . . . 0.0 111.515 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.6 tp-100 -75.71 -50.27 15.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.916 1.286 . . . . 0.0 112.361 -175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -85.33 -23.4 28.09 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.725 1.21 . . . . 0.0 113.373 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.44 7.6 82.91 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.606 1.098 . . . . 0.0 114.081 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -93.56 147.12 23.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.574 1.55 . . . . 0.0 110.643 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -68.35 147.22 52.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -27.96 53.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.171 1.788 . . . . 0.0 115.447 -174.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.75 -31.2 62.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.133 0.973 . . . . 0.0 113.366 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.84 -25.56 60.02 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.013 0.816 . . . . 0.0 112.964 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -82.88 -52.67 6.5 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.252 . . . . 0.0 110.884 176.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.4 t -74.58 -41.83 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 112.014 -170.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 -37.35 34.59 Favored Glycine 0 C--N 1.343 0.966 0 O-C-N 121.726 -0.609 . . . . 0.0 113.242 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -79.91 -19.17 48.76 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 117.859 0.83 . . . . 0.0 112.828 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.67 -32.49 73.57 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.055 0.942 . . . . 0.0 112.032 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -46.78 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.391 1.077 . . . . 0.0 111.245 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -33.63 75.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.482 1.113 . . . . 0.0 113.098 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -67.3 -50.04 61.81 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.698 0.799 . . . . 0.0 110.78 173.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 86.0 m -63.37 -39.1 93.61 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.004 0.922 . . . . 0.0 113.337 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.5 p -71.16 -45.71 62.93 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.507 1.048 . . . . 0.0 112.636 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -64.59 -32.37 73.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.7 p -90.53 -26.67 19.62 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.418 1.087 . . . . 0.0 113.139 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 71.89 32.11 1.94 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.904 2.082 . . . . 0.0 112.514 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.62 154.55 40.24 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.551 -1.343 . . . . 0.0 113.378 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -76.47 -6.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.82 -163.43 36.89 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.436 1.493 . . . . 0.0 112.747 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 23.2 mt -111.81 139.57 47.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.033 1.333 . . . . 0.0 111.369 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -146.61 162.44 38.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.89 2.476 . . . . 0.0 108.853 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.9 m -55.83 -30.63 61.74 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.84 -32.88 73.72 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.707 1.203 . . . . 0.0 112.505 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.8 mt -76.59 -40.65 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.096 0.958 . . . . 0.0 109.728 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.15 -29.83 64.43 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.691 0.678 . . . . 0.0 112.3 174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.51 -45.86 85.43 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.786 0.721 . . . . 0.0 111.176 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.8 m -64.33 -34.85 79.09 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.322 -0.861 . . . . 0.0 112.976 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.53 -28.13 65.16 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -56.71 -38.79 72.8 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.415 0.686 . . . . 0.0 112.367 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -88.94 -13.88 37.97 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.794 1.238 . . . . 0.0 112.781 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -88.84 -20.47 24.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.85 1.26 . . . . 0.0 112.979 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -151.32 -43.96 0.11 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.37 -37.57 83.41 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.617 1.099 . . . . 0.0 113.345 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.7 p -71.15 -19.55 62.41 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 171.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -87.15 -29.17 22.0 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.702 1.201 . . . . 0.0 113.468 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -156.03 124.15 5.73 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.034 1.334 . . . . 0.0 111.745 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.9 tp -125.7 128.76 48.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.385 2.274 . . . . 0.0 108.709 168.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.9 m -60.08 -19.7 54.43 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -74.07 -22.44 59.52 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.47 1.108 . . . . 0.0 113.199 173.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.15 -20.52 10.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.252 1.821 . . . . 0.0 113.974 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.97 0 C-N-CA 124.388 1.075 . . . . 0.0 113.376 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -75.82 170.26 16.56 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.21 67.16 3.13 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.24 1.016 . . . . 0.0 111.409 173.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.4 m -67.24 126.67 29.95 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.243 1.017 . . . . 0.0 112.846 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -25.79 67.12 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -60.5 -29.8 69.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.077 1.351 . . . . 0.0 112.097 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.51 -32.2 69.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.869 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.72 -40.68 24.91 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.105 0.962 . . . . 0.0 111.0 174.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.94 67.91 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.273 1.029 . . . . 0.0 113.601 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.68 -29.66 70.23 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.127 0.971 . . . . 0.0 113.278 174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -75.19 -36.66 61.42 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.398 0.999 . . . . 0.0 112.022 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.4 mt -56.57 -36.08 68.9 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.917 1.287 . . . . 0.0 112.36 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.79 -14.7 59.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.313 1.045 . . . . 0.0 113.135 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.48 -42.46 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.499 1.045 . . . . 0.0 109.483 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -88.21 -17.94 29.75 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.0 26.38 41.31 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.707 1.146 . . . . 0.0 113.722 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.91 147.32 45.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.888 1.275 . . . . 0.0 111.741 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -105.6 8.93 33.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.749 1.62 . . . . 0.0 113.649 -172.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.5 m -57.3 125.51 23.11 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.844 1.258 . . . . 0.0 112.898 -172.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -77.81 169.5 18.19 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.182 1.393 . . . . 0.0 112.308 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -52.42 -37.82 57.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.185 0.994 . . . . 0.0 112.905 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.24 -20.58 63.07 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 113.589 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.36 -40.08 11.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.219 1.008 . . . . 0.0 110.862 168.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.92 -47.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.356 1.062 . . . . 0.0 111.322 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.85 -30.17 68.78 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -72.74 -30.36 64.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.979 -1.076 . . . . 0.0 113.14 176.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.13 -38.89 30.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.83 1.196 . . . . 0.0 111.623 170.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.23 -36.95 71.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.569 0.748 . . . . 0.0 111.013 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -54.46 -45.39 73.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.125 0.97 . . . . 0.0 111.59 171.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.92 -40.9 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.933 0.788 . . . . 0.0 111.343 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.56 -22.4 65.14 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.812 1.245 . . . . 0.0 114.243 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.11 -42.47 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.658 1.183 . . . . 0.0 111.187 173.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -73.03 -43.8 61.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.659 1.184 . . . . 0.0 113.164 -176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.24 -20.09 16.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.346 1.458 . . . . 0.0 113.615 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.98 -0.34 66.83 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.244 1.402 . . . . 0.0 114.781 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -82.21 144.54 30.61 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.101 1.36 . . . . 0.0 110.429 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -73.26 161.62 30.31 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -40.41 61.65 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.836 2.054 . . . . 0.0 115.48 -174.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.61 -37.61 81.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.824 0.849 . . . . 0.0 111.161 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.58 -13.64 71.54 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.816 1.198 . . . . 0.0 113.717 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 mmt -92.91 -54.55 3.7 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.318 1.047 . . . . 0.0 110.698 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.41 -39.88 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.273 1.029 . . . . 0.0 112.07 -171.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -42.09 54.17 Favored Glycine 0 N--CA 1.472 1.05 0 O-C-N 121.465 -0.772 . . . . 0.0 113.338 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.33 -25.6 59.65 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.789 0.836 . . . . 0.0 112.732 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.51 -35.31 80.51 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.402 -0.811 . . . . 0.0 112.229 174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.1 mt -63.62 -45.2 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.286 1.034 . . . . 0.0 110.18 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.44 96.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.012 0.925 . . . . 0.0 111.918 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.7 -48.05 82.52 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.355 0.662 . . . . 0.0 111.942 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.25 -41.8 93.98 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.447 1.099 . . . . 0.0 112.394 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.6 m -73.95 -56.17 5.28 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.47 1.508 . . . . 0.0 112.037 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -71.57 -28.28 63.73 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -168.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 p -93.78 -9.62 36.89 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.76 0.824 . . . . 0.0 113.104 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.9 t60 72.96 47.5 0.2 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.985 2.114 . . . . 0.0 112.775 168.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.08 -39.28 65.98 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.837 -1.165 . . . . 0.0 113.004 -173.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t 62.71 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 127.502 2.321 . . . . 0.0 110.206 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.45 177.0 35.79 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.848 1.213 . . . . 0.0 113.867 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 mt -132.81 149.48 52.26 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.91 1.684 . . . . 0.0 111.345 -172.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.0 p -146.04 168.66 20.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.737 2.015 . . . . 0.0 110.094 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -61.71 -28.14 69.21 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -73.41 -37.92 65.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.636 1.174 . . . . 0.0 111.505 174.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.73 -40.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.13 -0.981 . . . . 0.0 110.452 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.72 -29.36 66.73 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.079 -1.013 . . . . 0.0 113.183 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -66.34 -29.93 70.22 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 118.955 0.798 . . . . 0.0 111.95 167.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 m -80.16 -29.76 38.82 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.764 -1.21 . . . . 0.0 112.869 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.12 -32.66 71.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.38 -34.73 77.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.202 -0.936 . . . . 0.0 112.171 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -79.74 -21.44 44.49 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.213 1.005 . . . . 0.0 112.846 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -77.36 -45.72 25.12 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.984 1.314 . . . . 0.0 112.16 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -129.6 -47.25 1.17 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -172.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.49 -41.8 83.96 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.324 0.965 . . . . 0.0 111.552 -171.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 t -68.2 -32.05 72.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -88.34 -62.11 1.56 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -94.13 -25.57 17.08 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -158.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.44 123.06 23.99 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.849 0.75 . . . . 0.0 110.774 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.9 p -69.17 -17.99 63.88 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -83.62 -19.43 35.48 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.976 1.31 . . . . 0.0 113.589 175.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.53 -34.59 17.34 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.622 1.169 . . . . 0.0 113.447 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 124.747 1.219 . . . . 0.0 113.752 178.587 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB3' ' HA ' ' A' ' 2' ' ' SER 0.306 1.1 tmt? . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 117.513 -1.232 . . . . 0.0 111.368 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 60.8 m -143.14 140.29 30.76 Favored 'General case' 0 N--CA 1.48 1.03 1 C-N-CA 133.139 4.575 . . . . 0.0 110.388 -0.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.1 59.39 3.84 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.83 1.252 . . . . 0.0 111.126 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 m -58.54 127.05 30.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.497 1.119 . . . . 0.0 113.374 -170.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.5 66.53 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.03 1.332 . . . . 0.0 114.578 -169.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -60.65 -27.84 68.11 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.921 1.288 . . . . 0.0 112.832 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.69 -39.97 69.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.533 0.733 . . . . 0.0 111.12 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tt -77.9 -47.21 19.24 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.274 1.03 . . . . 0.0 110.298 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.65 -38.62 67.12 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.371 1.469 . . . . 0.0 113.676 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.21 -30.72 67.89 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.628 0.771 . . . . 0.0 112.801 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -72.73 -33.09 66.18 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.83 0.741 . . . . 0.0 112.601 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.2 mt -51.23 -49.2 61.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.081 1.352 . . . . 0.0 112.222 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -68.45 -22.47 64.58 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.797 0.839 . . . . 0.0 113.156 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.1 mt -66.85 -37.68 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 O-C-N 121.336 -0.852 . . . . 0.0 110.159 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -90.33 -3.51 57.7 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.345 1.458 . . . . 0.0 113.401 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.6 11.35 81.96 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.594 1.093 . . . . 0.0 114.58 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.34 162.9 25.28 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.763 1.225 . . . . 0.0 110.459 171.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -157.43 140.64 15.39 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.742 1.217 . . . . 0.0 111.179 171.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.4 m -143.28 151.26 40.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.363 1.865 . . . . 0.0 110.552 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -77.04 164.72 25.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.113 0.565 . . . . 0.0 111.136 163.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -54.7 -36.9 65.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.572 0.749 . . . . 0.0 112.171 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.96 -26.23 65.84 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.95 -31.59 18.08 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.886 0.874 . . . . 0.0 111.836 172.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.1 mt -60.44 -43.87 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.662 1.119 . . . . 0.0 110.221 169.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.34 -36.73 66.61 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.193 0.997 . . . . 0.0 112.083 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -63.59 -38.83 92.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.242 0.928 . . . . 0.0 112.2 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.19 -36.69 47.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.798 1.181 . . . . 0.0 111.596 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.15 -39.38 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.107 0.867 . . . . 0.0 111.541 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.49 -43.42 84.1 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.655 -0.653 . . . . 0.0 111.302 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.37 -42.38 99.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.076 0.853 . . . . 0.0 111.34 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.13 -34.26 71.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.846 0.858 . . . . 0.0 112.474 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.71 -45.32 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.536 1.135 . . . . 0.0 111.648 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.84 -35.29 67.23 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.49 -18.85 18.77 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.755 1.222 . . . . 0.0 113.132 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.17 8.18 73.74 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.052 1.311 . . . . 0.0 114.532 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -94.94 153.47 17.65 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.746 1.618 . . . . 0.0 111.185 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.2 140.14 57.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.028 1.331 . . . . 0.0 112.732 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -61.1 -20.25 62.41 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.874 1.67 . . . . 0.0 114.601 -176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.78 -29.54 64.93 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.43 1.092 . . . . 0.0 112.218 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.25 -43.82 37.34 Favored Glycine 0 C--N 1.345 1.063 0 O-C-N 121.259 -0.901 . . . . 0.0 112.085 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -66.66 -39.69 88.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.209 1.404 . . . . 0.0 111.741 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.5 t -72.66 -40.65 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.512 1.125 . . . . 0.0 111.218 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.48 -49.65 6.58 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 124.401 1.0 . . . . 0.0 114.112 -170.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.53 -20.35 62.82 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.656 1.228 . . . . 0.0 112.751 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -65.31 -29.6 70.37 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 112.328 173.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.11 -48.78 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.346 1.058 . . . . 0.0 110.11 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.07 86.62 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 111.607 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.12 -50.82 66.78 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.426 0.69 . . . . 0.0 111.312 174.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.4 m -63.71 -33.15 74.99 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.736 0.814 . . . . 0.0 112.845 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -68.24 -46.04 71.58 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.572 1.149 . . . . 0.0 110.12 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -63.09 -42.94 99.71 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.309 1.044 . . . . 0.0 113.708 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.0 p -79.24 -17.02 55.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.062 0.945 . . . . 0.0 113.358 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . 0.291 9.2 p-80 61.23 10.29 2.94 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 128.929 2.892 . . . . 0.0 115.319 -176.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.49 126.19 28.86 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.421 -1.424 . . . . 0.0 110.876 170.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.84 -8.91 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 124.517 1.127 . . . . 0.0 113.742 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.83 158.82 14.46 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 125.562 1.553 . . . . 0.0 112.784 177.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.39 141.31 41.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.609 1.563 . . . . 0.0 111.083 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -143.56 161.27 38.91 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.622 1.969 . . . . 0.0 109.773 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.63 -31.24 62.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.989 0.915 . . . . 0.0 113.468 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.87 -35.79 79.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.946 0.898 . . . . 0.0 112.088 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.26 -41.75 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.036 0.934 . . . . 0.0 110.27 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.58 -25.54 63.11 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.946 0.794 . . . . 0.0 112.958 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -71.59 -46.42 59.35 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.07 0.85 . . . . 0.0 111.045 166.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.7 m -65.16 -28.16 69.22 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.923 -1.111 . . . . 0.0 112.973 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.22 -29.35 65.64 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.8 1.24 . . . . 0.0 113.608 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.17 -47.81 83.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.326 0.65 . . . . 0.0 110.878 171.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -72.98 -18.93 61.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.914 0.885 . . . . 0.0 112.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -82.81 -18.42 40.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.157 1.383 . . . . 0.0 113.585 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -154.87 -60.64 0.12 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.925 0.784 . . . . 0.0 113.014 -175.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.11 -40.65 94.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.678 0.672 . . . . 0.0 112.344 -168.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.6 m -78.2 -18.85 54.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -70.67 -51.02 30.5 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.212 -0.93 . . . . 0.0 111.634 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 173.31 132.98 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.743 2.817 . . . . 0.0 110.095 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 tp -72.41 152.19 42.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.431 1.092 . . . . 0.0 110.887 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 p -75.91 7.57 3.87 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.394 1.478 . . . . 0.0 114.105 174.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -147.8 153.97 39.87 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 128.044 2.538 . . . . 0.0 110.475 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.84 84.54 1.22 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.553 1.141 . . . . 0.0 111.508 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 . . . . . 0 C--O 1.255 1.352 0 C-N-CA 126.731 2.012 . . . . 0.0 113.375 178.559 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 tpp . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -79.27 82.48 5.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.86 0.864 . . . . 0.0 111.392 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.53 107.69 16.95 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.044 1.338 . . . . 0.0 111.362 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -113.99 147.31 38.83 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.977 1.311 . . . . 0.0 110.814 163.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -28.58 66.49 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.517 1.127 . . . . 0.0 113.6 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.14 -21.39 66.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.257 1.023 . . . . 0.0 113.649 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -82.76 -56.34 3.9 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.127 0.971 . . . . 0.0 109.764 172.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.46 -40.28 93.01 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.625 1.17 . . . . 0.0 111.873 -167.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -21.05 63.91 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.04 -33.76 72.38 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.368 -0.832 . . . . 0.0 111.58 176.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -77.51 -39.27 46.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.387 0.675 . . . . 0.0 111.622 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.33 -33.67 65.84 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.081 0.952 . . . . 0.0 112.795 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -73.62 -17.25 61.19 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.045 1.338 . . . . 0.0 113.455 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.8 mt -79.62 -44.95 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 119.388 0.994 . . . . 0.0 109.81 172.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.24 -10.89 51.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.025 1.33 . . . . 0.0 113.739 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.85 25.01 60.95 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.35 0.976 . . . . 0.0 113.299 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -77.02 107.0 9.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.55 1.14 . . . . 0.0 109.728 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.99 43.51 0.7 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.495 1.918 . . . . 0.0 113.624 -167.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.6 m -74.38 131.08 40.79 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.853 -1.154 . . . . 0.0 111.812 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.45 170.24 16.51 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.05 0.54 . . . . 0.0 111.153 160.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -49.29 -40.4 34.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.637 1.175 . . . . 0.0 113.862 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.29 64.14 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.23 -34.89 18.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.245 1.018 . . . . 0.0 111.7 172.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.52 -45.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.894 1.224 . . . . 0.0 110.666 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -57.25 -25.7 59.58 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -67.87 -42.76 80.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 120.097 1.317 . . . . 0.0 112.711 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.25 -36.59 77.29 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.258 0.936 . . . . 0.0 111.0 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.24 -42.27 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.005 0.522 . . . . 0.0 111.381 171.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.51 -47.34 85.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.918 0.887 . . . . 0.0 111.565 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.2 mt -53.74 -43.41 69.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.16 0.891 . . . . 0.0 111.319 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.66 -25.57 68.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.8 t -87.71 -40.97 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.566 1.146 . . . . 0.0 111.037 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -74.72 -47.45 31.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.782 1.233 . . . . 0.0 112.136 -176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -93.67 -22.92 18.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.32 1.448 . . . . 0.0 113.229 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.97 70.64 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.275 1.417 . . . . 0.0 114.933 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -75.0 147.2 40.97 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.415 1.086 . . . . 0.0 110.571 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.76 149.2 49.29 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -48.33 -33.4 8.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.509 1.924 . . . . 0.0 115.209 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.71 -34.64 76.14 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.253 1.021 . . . . 0.0 112.092 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.69 -41.46 50.29 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 123.712 0.672 . . . . 0.0 111.936 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -62.7 -50.98 68.98 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.784 0.834 . . . . 0.0 111.232 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.08 -40.91 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.388 0.675 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.11 35.48 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-N 118.54 0.609 . . . . 0.0 113.657 -173.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -76.08 -23.62 55.01 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.259 1.03 . . . . 0.0 113.295 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.99 -34.18 77.81 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.671 0.789 . . . . 0.0 112.13 175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.07 -45.35 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.027 0.931 . . . . 0.0 110.708 178.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.59 96.37 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.53 0.732 . . . . 0.0 111.843 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -67.47 -44.5 78.43 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.045 0.538 . . . . 0.0 112.382 176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.02 -38.3 85.62 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.042 0.837 . . . . 0.0 112.436 174.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -65.85 -48.27 72.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.988 1.315 . . . . 0.0 111.001 176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -72.26 -35.98 68.91 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -78.86 -26.78 44.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.434 0.694 . . . . 0.0 111.911 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 75.62 12.79 3.04 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.418 2.287 . . . . 0.0 114.45 162.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.47 151.56 45.91 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.039 -1.663 . . . . 0.0 112.654 173.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 71.5 t -81.81 123.19 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.119 0.967 . . . . 0.0 108.804 172.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.7 -162.62 53.68 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.405 1.002 . . . . 0.0 113.095 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.28 158.19 38.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.961 1.304 . . . . 0.0 111.961 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.4 p -137.93 164.85 27.98 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.487 1.915 . . . . 0.0 110.82 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -57.49 -28.54 63.5 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -73.94 -40.14 63.27 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.455 1.102 . . . . 0.0 111.95 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.01 -46.47 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.793 0.724 . . . . 0.0 110.37 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.56 -31.65 71.87 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -67.02 -46.62 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.039 0.836 . . . . 0.0 111.322 170.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.2 m -66.67 -30.79 71.14 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.342 -0.849 . . . . 0.0 113.115 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -57.6 -31.5 66.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.311 1.044 . . . . 0.0 113.578 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -57.07 -41.74 79.34 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.584 0.754 . . . . 0.0 111.524 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -85.29 -11.73 54.06 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.402 1.081 . . . . 0.0 112.717 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -95.09 -18.41 21.01 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.112 1.365 . . . . 0.0 113.666 -174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -147.72 -50.0 0.18 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.06 -66.33 0.56 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 -170.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -73.01 -16.0 61.52 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.768 0.827 . . . . 0.0 112.769 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -63.73 -56.35 16.33 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.406 -0.809 . . . . 0.0 110.38 172.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -77.56 -39.85 44.42 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.381 1.472 . . . . 0.0 112.901 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 tp -85.55 108.02 17.75 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.625 0.77 . . . . 0.0 111.112 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 p -72.58 -18.43 61.61 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.52 -26.47 64.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.944 1.298 . . . . 0.0 113.148 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.16 -18.71 45.35 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.19 1.396 . . . . 0.0 113.76 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.2 mtm105 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.582 1.553 . . . . 0.0 112.89 178.409 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -84.69 50.91 2.0 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.768 1.227 . . . . 0.0 112.496 -174.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.61 75.26 3.3 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.144 1.378 . . . . 0.0 111.629 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -61.19 136.08 57.95 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.996 -1.065 . . . . 0.0 112.276 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.2 -33.24 67.29 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -172.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -68.14 -30.87 70.1 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.218 1.007 . . . . 0.0 112.481 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.0 -36.24 59.26 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.302 -0.874 . . . . 0.0 110.939 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.17 -43.61 73.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.028 0.531 . . . . 0.0 110.301 173.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -33.96 74.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.947 0.899 . . . . 0.0 113.308 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -64.77 -35.38 80.9 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.624 -0.673 . . . . 0.0 111.603 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.76 -37.04 70.55 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.141 -0.974 . . . . 0.0 111.945 175.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -53.36 -42.4 66.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.474 1.034 . . . . 0.0 111.136 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -65.27 -28.18 69.16 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.045 0.938 . . . . 0.0 112.793 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.6 -39.49 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.2 -0.938 . . . . 0.0 111.682 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -85.48 -7.91 58.65 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.56 15.17 78.67 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.771 1.177 . . . . 0.0 114.06 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -76.95 164.4 25.82 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.712 1.605 . . . . 0.0 111.613 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.01 131.41 12.11 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.602 1.561 . . . . 0.0 110.048 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -138.46 149.72 45.73 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.672 1.589 . . . . 0.0 110.812 -175.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -74.84 163.94 27.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.23 0.612 . . . . 0.0 111.142 165.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -51.45 -40.71 59.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.446 1.099 . . . . 0.0 111.996 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -25.2 66.19 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.6 mt -90.86 -33.57 15.61 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.143 0.977 . . . . 0.0 111.772 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.3 -47.5 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 120.661 -1.275 . . . . 0.0 109.794 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -56.94 -34.77 68.34 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.305 1.042 . . . . 0.0 112.431 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -62.71 -44.26 96.67 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.939 1.245 . . . . 0.0 112.477 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.03 -35.18 59.6 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.249 0.931 . . . . 0.0 112.168 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.31 -41.51 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 118.838 0.744 . . . . 0.0 110.95 171.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.64 -38.01 77.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.638 0.775 . . . . 0.0 111.842 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.19 -45.8 90.04 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.559 1.072 . . . . 0.0 110.583 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.07 -39.67 82.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.434 0.694 . . . . 0.0 111.791 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -74.02 -42.05 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.356 1.462 . . . . 0.0 112.026 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.37 -51.46 13.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.079 0.952 . . . . 0.0 112.49 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -85.57 -20.28 29.81 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.47 1.108 . . . . 0.0 113.559 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 27.56 73.6 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 123.709 0.671 . . . . 0.0 112.905 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -105.97 146.4 30.09 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.154 1.782 . . . . 0.0 108.685 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -68.02 158.51 32.73 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.207 1.003 . . . . 0.0 113.663 -173.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.74 -32.64 73.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.128 1.771 . . . . 0.0 113.369 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.21 -29.51 70.33 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.349 -0.844 . . . . 0.0 112.634 172.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.31 -15.71 81.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.833 1.206 . . . . 0.0 112.895 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 mmt -87.6 -63.77 1.25 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.235 1.018 . . . . 0.0 110.255 165.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -67.05 -36.64 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.992 1.317 . . . . 0.0 112.882 -166.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.81 -39.9 19.3 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 118.6 0.636 . . . . 0.0 113.036 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -75.21 -26.75 59.2 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.54 0.736 . . . . 0.0 112.165 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.78 -31.06 71.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.336 1.055 . . . . 0.0 112.711 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.1 mm -58.47 -45.92 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.098 0.959 . . . . 0.0 110.988 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.32 93.84 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.484 0.714 . . . . 0.0 111.803 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.49 -49.12 72.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.897 0.879 . . . . 0.0 112.04 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.1 -36.1 80.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -69.38 -48.85 59.95 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.666 1.186 . . . . 0.0 110.998 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.5 p -69.57 -33.17 72.35 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.1 p -81.77 -24.56 35.93 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.256 1.022 . . . . 0.0 112.919 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 79.63 24.62 0.44 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 128.117 2.567 . . . . 0.0 112.413 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -72.21 148.18 45.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.476 1.11 . . . . 0.0 112.638 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.43 123.73 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.489 1.516 . . . . 0.0 108.289 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.52 174.05 43.46 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.1 0.857 . . . . 0.0 113.481 -174.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 mp -134.65 158.34 44.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.569 1.547 . . . . 0.0 110.298 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.0 t -173.64 171.78 3.76 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.794 2.838 . . . . 0.0 108.071 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.2 p -54.76 -31.16 58.25 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -167.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.69 -31.06 72.11 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.304 1.042 . . . . 0.0 113.132 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.9 -49.45 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.054 0.941 . . . . 0.0 108.863 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.19 -30.85 68.07 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -68.73 -32.07 71.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.558 0.743 . . . . 0.0 112.212 170.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.1 m -74.12 -34.67 63.98 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.068 -1.02 . . . . 0.0 111.903 172.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -62.08 -31.32 71.74 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.874 -1.141 . . . . 0.0 113.604 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.57 -49.14 77.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.599 0.76 . . . . 0.0 111.266 169.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.5 -23.48 60.04 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.691 1.196 . . . . 0.0 112.903 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -74.71 -24.99 58.84 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.776 1.63 . . . . 0.0 113.286 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -152.68 -50.77 0.1 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -169.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.68 -44.54 49.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.819 0.736 . . . . 0.0 112.099 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -72.48 -38.73 68.11 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -98.88 -6.31 29.24 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 -169.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -151.58 -39.06 0.12 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.6 tp 67.84 -45.67 0.5 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 127.601 2.36 . . . . 0.0 114.532 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m 83.05 5.95 0.84 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.528 2.731 . . . . 0.0 114.262 172.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -87.24 -160.47 0.6 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.613 1.165 . . . . 0.0 111.56 168.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.79 -13.32 61.66 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.044 0 C-N-CA 125.701 1.6 . . . . 0.0 110.405 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 tpp . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -78.11 164.95 24.54 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -172.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.82 -18.61 63.46 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 t 79.2 124.51 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 128.247 2.619 . . . . 0.0 114.081 170.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.18 83.52 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.861 0.865 . . . . 0.0 112.378 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -70.62 -32.45 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.934 0.894 . . . . 0.0 111.489 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -72.44 -44.74 61.97 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.053 0.541 . . . . 0.0 110.709 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.09 -39.87 95.0 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.717 0.69 . . . . 0.0 112.141 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.6 -22.45 63.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -66.6 -26.48 67.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.552 0.741 . . . . 0.0 112.601 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.9 -39.86 17.71 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.954 0.902 . . . . 0.0 112.535 172.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.9 -43.03 63.18 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.5 1.046 . . . . 0.0 112.674 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.85 -18.84 65.57 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.056 1.343 . . . . 0.0 114.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.98 -40.65 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.254 -0.904 . . . . 0.0 110.23 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.04 -6.48 59.32 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 113.4 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.17 16.55 74.11 Favored Glycine 0 N--CA 1.476 1.302 0 C-N-CA 124.582 1.087 . . . . 0.0 113.573 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.86 133.53 40.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.845 1.258 . . . . 0.0 110.553 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -114.41 121.76 44.55 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.147 1.379 . . . . 0.0 110.475 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.4 m -143.26 164.16 30.98 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.58 1.552 . . . . 0.0 111.542 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -108.64 168.95 8.97 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.304 1.442 . . . . 0.0 110.766 165.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -51.84 -39.92 59.67 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.504 1.122 . . . . 0.0 112.628 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.3 68.46 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.77 -35.56 22.31 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.442 0.697 . . . . 0.0 111.114 173.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.07 -43.46 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.454 1.101 . . . . 0.0 111.607 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.7 -37.43 65.81 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.382 0.673 . . . . 0.0 111.775 175.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -60.94 -30.51 70.27 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.19 -0.944 . . . . 0.0 113.404 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.99 -39.71 19.35 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.575 1.079 . . . . 0.0 111.842 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.1 t -58.4 -38.4 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 118.81 0.732 . . . . 0.0 110.953 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -56.92 -42.34 79.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.048 0.939 . . . . 0.0 112.29 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.73 -46.37 82.55 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.628 1.104 . . . . 0.0 110.776 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.6 m -56.28 -39.3 72.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.425 0.69 . . . . 0.0 112.026 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -79.86 -43.09 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.028 1.331 . . . . 0.0 111.914 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -69.9 -43.07 72.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.171 0.989 . . . . 0.0 111.827 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -89.83 -17.18 28.62 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.56 1.144 . . . . 0.0 113.014 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.17 53.38 9.18 Favored Glycine 0 C--N 1.343 0.961 0 C-N-CA 124.077 0.846 . . . . 0.0 111.234 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -142.76 150.75 40.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.502 1.121 . . . . 0.0 111.044 -161.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.02 138.34 42.12 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.137 0.975 . . . . 0.0 112.52 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -62.31 -20.23 64.12 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.104 1.761 . . . . 0.0 115.63 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.0 -32.58 71.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.289 0.949 . . . . 0.0 112.428 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.19 -44.57 43.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 121.642 -0.661 . . . . 0.0 111.859 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -62.66 -45.08 94.47 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 111.587 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.77 -42.73 47.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 118.559 0.618 . . . . 0.0 111.768 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.17 -48.12 54.89 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.687 0.676 . . . . 0.0 113.844 -172.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.56 -21.07 59.7 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -177.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.08 -32.85 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.096 0.958 . . . . 0.0 112.218 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.9 mt -62.5 -47.72 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.491 1.117 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.85 84.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.667 0.387 . . . . 0.0 111.615 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -64.33 -52.04 60.41 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.271 1.028 . . . . 0.0 112.052 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.0 p -72.37 -29.51 63.85 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 m -74.27 -46.47 41.2 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.381 174.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -67.38 -25.24 65.86 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -173.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -82.24 -19.57 39.39 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.534 1.134 . . . . 0.0 112.862 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 74.95 4.92 4.33 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 128.191 2.596 . . . . 0.0 113.896 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.54 135.82 54.75 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.525 -1.359 . . . . 0.0 110.982 174.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 p -76.61 138.81 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.773 0.829 . . . . 0.0 111.314 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.33 -162.17 53.25 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.666 0.65 . . . . 0.0 114.241 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 mt -136.97 142.52 42.6 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.722 1.609 . . . . 0.0 110.456 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.3 p -142.67 157.4 44.72 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.872 2.069 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -54.11 -30.41 48.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -170.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.13 -37.58 87.9 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 112.429 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.6 mt -70.41 -45.56 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.205 1.002 . . . . 0.0 109.953 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.68 -30.47 70.73 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.764 -0.585 . . . . 0.0 112.572 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -72.41 -42.24 65.35 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.675 0.671 . . . . 0.0 112.185 172.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.6 m -64.06 -33.45 75.79 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.443 -0.786 . . . . 0.0 112.424 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -54.58 -27.26 37.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.77 -34.05 71.0 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.573 0.749 . . . . 0.0 112.452 174.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -80.15 -29.05 38.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.959 0.903 . . . . 0.0 112.642 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -78.66 -17.64 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -173.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -149.11 -48.14 0.14 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.5 -44.79 56.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -168.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.4 p -66.13 -23.5 66.5 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 176.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -74.96 -39.42 61.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.849 1.26 . . . . 0.0 111.65 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.1 ttt85 -83.35 -37.58 23.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.87 1.268 . . . . 0.0 113.67 -167.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.7 tp -68.48 119.67 13.32 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.942 0.792 . . . . 0.0 111.337 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -88.79 -13.68 38.85 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -83.46 133.11 34.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.881 1.272 . . . . 0.0 111.931 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.44 48.3 1.49 Allowed 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.777 1.631 . . . . 0.0 111.818 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 126.094 1.758 . . . . 0.0 113.023 -174.313 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -84.22 146.6 27.72 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -172.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.69 -44.42 56.6 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.5 t 82.59 146.65 0.08 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 128.632 2.773 . . . . 0.0 113.141 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -29.67 66.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.43 1.092 . . . . 0.0 112.035 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.39 -25.98 67.79 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.668 1.187 . . . . 0.0 112.749 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -90.97 -41.22 11.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.915 0.886 . . . . 0.0 111.358 174.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.83 -43.02 80.53 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.683 0.793 . . . . 0.0 112.397 -176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -25.84 67.65 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.67 -30.58 70.14 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.12 0.968 . . . . 0.0 112.806 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -72.21 -27.79 62.76 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.52 -35.59 70.46 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.851 1.26 . . . . 0.0 112.809 -174.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -67.81 -23.01 65.14 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.446 1.099 . . . . 0.0 113.071 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.83 -39.3 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.05 0.94 . . . . 0.0 110.138 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -89.33 -9.87 48.85 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.505 1.522 . . . . 0.0 113.593 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.02 18.57 71.93 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.369 0.985 . . . . 0.0 113.952 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.5 163.38 22.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.956 1.703 . . . . 0.0 111.96 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -156.87 136.53 12.36 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.574 1.549 . . . . 0.0 110.716 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -154.99 156.36 35.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.629 1.972 . . . . 0.0 110.811 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -80.86 163.32 23.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.097 0.959 . . . . 0.0 111.62 164.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.85 -39.48 62.57 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.969 0.908 . . . . 0.0 112.399 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.65 -26.36 67.77 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -88.52 -35.08 17.16 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.826 0.851 . . . . 0.0 111.758 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -61.25 -42.1 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.234 1.014 . . . . 0.0 110.692 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.88 -30.25 61.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.871 0.869 . . . . 0.0 113.308 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.67 -52.46 65.36 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.358 1.436 . . . . 0.0 111.156 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 27' ' ' LEU . 1.9 mm? -65.07 -31.45 72.67 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.662 0.664 . . . . 0.0 111.356 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.68 -41.56 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.56 171.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -57.49 -46.29 83.9 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.778 1.172 . . . . 0.0 111.126 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.19 -49.7 68.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.664 0.666 . . . . 0.0 112.407 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.8 p -63.63 -30.14 71.29 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.259 0.936 . . . . 0.0 113.145 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.28 -42.1 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.666 1.186 . . . . 0.0 111.621 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -74.5 -50.28 18.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.578 0.751 . . . . 0.0 112.386 -177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -84.51 -16.48 42.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.54 1.136 . . . . 0.0 113.448 -175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.59 3.75 83.69 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.846 1.212 . . . . 0.0 114.236 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -74.08 133.26 42.87 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.842 1.257 . . . . 0.0 109.611 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -68.01 139.29 56.32 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.627 -0.67 . . . . 0.0 110.979 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -24.66 63.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 -153.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -64.62 -27.23 68.8 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.542 1.064 . . . . 0.0 112.271 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.45 -36.52 38.55 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.435 1.016 . . . . 0.0 111.467 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.8 tpp -66.34 -45.23 80.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.412 1.106 . . . . 0.0 111.139 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.31 -39.26 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.805 1.242 . . . . 0.0 111.508 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.24 -40.09 50.5 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.139 0.876 . . . . 0.0 113.684 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.91 -32.2 73.8 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.679 1.24 . . . . 0.0 112.425 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.42 -31.71 70.66 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.728 1.211 . . . . 0.0 113.264 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.83 -42.61 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.495 1.118 . . . . 0.0 111.368 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.26 82.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.886 0.874 . . . . 0.0 112.199 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.53 -50.65 66.52 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.803 0.841 . . . . 0.0 111.151 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.71 -35.23 79.07 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.656 0.782 . . . . 0.0 113.071 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.5 m -65.65 -42.48 91.37 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.224 1.01 . . . . 0.0 110.949 174.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -68.34 -36.33 79.09 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -82.8 -27.18 31.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.115 0.87 . . . . 0.0 112.873 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 80.38 -1.93 1.94 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 128.55 2.74 . . . . 0.0 112.954 174.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -70.98 142.59 50.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.06 -1.65 . . . . 0.0 111.725 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.5 t -90.06 137.52 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.194 1.397 . . . . 0.0 110.373 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.37 -172.58 53.84 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.293 0.949 . . . . 0.0 114.046 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 mt -135.17 153.52 51.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.197 1.799 . . . . 0.0 110.979 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -170.8 161.31 7.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.746 2.018 . . . . 0.0 109.756 -171.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -58.41 -28.07 64.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.591 1.157 . . . . 0.0 113.66 -171.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.62 -36.25 80.47 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.943 0.897 . . . . 0.0 111.889 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.7 mt -78.32 -41.18 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.425 1.09 . . . . 0.0 109.935 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -65.52 -35.58 81.28 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 177.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -69.52 -44.97 69.92 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.485 0.584 . . . . 0.0 112.25 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 p -72.62 -25.52 61.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.158 -0.963 . . . . 0.0 113.449 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -60.82 -35.39 76.39 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.166 -0.959 . . . . 0.0 113.345 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.37 -37.11 77.07 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.614 -0.679 . . . . 0.0 112.107 170.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -88.78 -19.27 26.24 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -171.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -17.29 51.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -158.69 -46.39 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.2 -48.04 74.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.612 1.096 . . . . 0.0 112.195 -170.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -68.47 -17.35 64.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.45 1.1 . . . . 0.0 113.227 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -75.1 -4.67 39.94 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 120.809 -1.182 . . . . 0.0 113.05 172.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 89.24 138.73 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 131.359 3.864 . . . . 0.0 110.059 -175.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.8 tp -77.04 83.37 3.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.295 1.438 . . . . 0.0 110.736 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.2 p -64.58 -15.35 60.93 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -74.85 -15.08 60.74 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.528 1.531 . . . . 0.0 112.993 172.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.99 -29.93 5.15 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.785 1.634 . . . . 0.0 114.05 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 . . . . . 0 C--O 1.254 1.321 0 C-N-CA 125.536 1.534 . . . . 0.0 112.988 -179.41 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.1 mtp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -163.77 172.96 13.41 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.919 1.288 . . . . 0.0 111.373 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.96 -20.99 60.94 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.516 1.126 . . . . 0.0 114.024 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.0 t 82.76 121.79 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 128.939 2.896 . . . . 0.0 112.104 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.68 96.98 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.961 0.904 . . . . 0.0 111.81 176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.21 -38.72 92.04 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.84 0.856 . . . . 0.0 111.608 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.574 0.749 . . . . 0.0 111.884 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.4 -42.44 92.57 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.575 0.75 . . . . 0.0 111.133 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.37 -26.59 66.55 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.51 -42.22 95.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.966 0.803 . . . . 0.0 110.748 170.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -68.21 -37.07 80.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 118.425 -0.798 . . . . 0.0 112.73 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.3 mt -52.52 -50.75 62.22 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.581 1.082 . . . . 0.0 110.866 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -69.56 -24.5 63.72 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.049 0.94 . . . . 0.0 113.338 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.1 -38.44 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 119.88 1.218 . . . . 0.0 111.419 171.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -87.21 -2.52 58.68 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.603 1.161 . . . . 0.0 113.62 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 11.08 67.35 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.634 1.588 . . . . 0.0 114.916 177.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 mp -79.08 152.56 30.77 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 109.987 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -148.44 134.92 19.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.956 1.303 . . . . 0.0 111.061 -175.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.2 m -148.48 161.76 40.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.735 1.614 . . . . 0.0 112.49 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -88.38 162.92 16.27 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.33 1.052 . . . . 0.0 110.887 159.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -53.42 -35.47 60.46 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.612 1.165 . . . . 0.0 112.759 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.18 -24.52 64.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.238 1.015 . . . . 0.0 113.368 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -87.8 -34.05 18.41 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.609 0.764 . . . . 0.0 111.99 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.88 -45.0 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.064 0.946 . . . . 0.0 111.297 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.69 -26.89 67.45 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -59.9 -41.65 92.1 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.047 -1.033 . . . . 0.0 111.883 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -35.33 66.22 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.277 0.631 . . . . 0.0 111.939 176.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.76 -42.77 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.354 0.525 . . . . 0.0 110.485 172.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.95 -32.76 73.22 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.825 0.739 . . . . 0.0 112.891 173.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.7 mt -65.21 -48.85 71.93 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.433 1.47 . . . . 0.0 110.4 171.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.19 -40.68 67.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 111.859 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.71 -43.24 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.228 1.411 . . . . 0.0 111.901 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -72.61 -42.99 63.89 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.164 0.893 . . . . 0.0 112.475 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -85.23 -15.34 43.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.201 1.0 . . . . 0.0 113.326 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 46.73 40.54 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.478 1.037 . . . . 0.0 111.309 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -134.22 157.55 45.99 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.196 1.398 . . . . 0.0 111.174 -164.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -67.62 149.25 50.31 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.576 1.55 . . . . 0.0 111.807 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 -31.27 72.38 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.318 1.047 . . . . 0.0 112.367 173.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.34 -21.38 66.23 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.38 1.072 . . . . 0.0 113.113 175.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.68 -50.56 5.23 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.251 0.929 . . . . 0.0 111.28 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -36.38 83.93 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.778 1.231 . . . . 0.0 112.061 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.67 -45.76 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 123.735 0.814 . . . . 0.0 110.935 170.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.56 97.41 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.001 0.819 . . . . 0.0 114.086 -171.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -72.84 -25.88 61.27 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.241 1.021 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.56 -30.68 68.52 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.89 -48.36 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 118.65 0.659 . . . . 0.0 110.407 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.58 88.98 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.585 0.754 . . . . 0.0 111.866 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -65.29 -46.23 81.26 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.029 0.532 . . . . 0.0 111.47 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.1 m -62.17 -41.58 98.45 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.443 -0.786 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -66.47 -49.39 66.81 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.579 1.152 . . . . 0.0 111.339 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -69.57 -30.17 67.88 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.4 p -82.88 -22.89 33.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.681 0.793 . . . . 0.0 112.728 172.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 79.56 -0.66 2.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 128.207 2.603 . . . . 0.0 113.135 173.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -72.36 117.98 14.68 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.268 -1.52 . . . . 0.0 111.241 175.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.11 143.76 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.821 0.848 . . . . 0.0 110.355 167.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.6 -173.36 55.05 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.766 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -144.06 160.38 40.98 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.9 1.68 . . . . 0.0 111.919 -172.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -173.12 156.39 3.21 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.684 2.394 . . . . 0.0 109.137 -172.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -55.57 -31.07 61.87 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -165.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.14 -34.03 77.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.245 1.018 . . . . 0.0 112.291 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.04 -45.04 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.696 0.798 . . . . 0.0 109.625 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.4 -30.01 68.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.072 0.851 . . . . 0.0 113.041 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -65.64 -47.65 74.85 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.432 0.693 . . . . 0.0 111.373 168.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.4 m -64.7 -34.14 77.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.136 -0.978 . . . . 0.0 113.074 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.03 -31.96 67.5 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.139 1.375 . . . . 0.0 113.564 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.86 -40.79 94.22 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.757 0.708 . . . . 0.0 111.795 174.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -80.61 -21.52 41.49 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.002 0.921 . . . . 0.0 113.072 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -72.51 -27.44 62.26 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.579 1.152 . . . . 0.0 112.854 -177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -156.02 -44.27 0.08 Allowed 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.42 -37.72 85.85 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.192 0.906 . . . . 0.0 113.268 -167.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.8 p -73.16 -18.98 61.21 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.94 -34.7 62.11 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.341 1.056 . . . . 0.0 113.248 -174.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 175.92 135.32 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.53 2.332 . . . . 0.0 111.477 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 tp -93.51 102.64 14.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.972 1.309 . . . . 0.0 108.104 162.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 p -68.78 -9.97 53.97 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -177.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -74.32 -25.82 59.79 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.609 1.164 . . . . 0.0 112.42 168.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.32 -34.3 6.85 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.596 1.558 . . . . 0.0 113.664 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.191 1.797 . . . . 0.0 112.091 -176.165 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -85.45 28.08 0.78 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -171.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.87 53.56 1.69 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.093 2.157 . . . . 0.0 112.824 -173.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.2 m -61.41 148.8 40.44 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.667 1.187 . . . . 0.0 113.512 -174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.19 -35.68 67.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -174.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -68.11 -24.49 65.03 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.977 0.911 . . . . 0.0 112.839 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -84.17 -43.76 14.64 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.472 -0.768 . . . . 0.0 110.457 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.94 -45.46 81.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.554 0.742 . . . . 0.0 111.373 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -26.25 68.35 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.15 -35.45 78.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.166 0.586 . . . . 0.0 111.309 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -72.59 -35.47 67.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.478 0.711 . . . . 0.0 112.592 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -52.26 -41.77 63.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.835 0.854 . . . . 0.0 111.965 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -72.83 -16.27 61.6 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.9 mm -75.34 -41.01 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.256 0.935 . . . . 0.0 110.882 174.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -84.19 -14.76 49.23 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.811 1.245 . . . . 0.0 113.606 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.03 19.94 58.41 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.689 1.137 . . . . 0.0 113.704 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.14 143.34 48.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.807 1.243 . . . . 0.0 110.119 174.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -125.56 121.95 35.12 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.275 1.43 . . . . 0.0 110.439 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 m -144.11 141.82 30.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.642 1.577 . . . . 0.0 110.603 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -74.67 167.43 21.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.664 0.785 . . . . 0.0 110.792 164.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -53.99 -37.48 64.05 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.771 -0.581 . . . . 0.0 112.554 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -25.11 65.24 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -89.46 -32.13 17.37 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.186 0.994 . . . . 0.0 111.871 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.3 mt -59.04 -46.98 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.049 1.295 . . . . 0.0 109.705 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.37 -32.64 68.76 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.606 0.762 . . . . 0.0 112.362 171.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -65.25 -36.49 84.3 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 120.038 1.29 . . . . 0.0 113.045 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.79 -38.23 47.11 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.873 1.215 . . . . 0.0 111.884 173.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.25 -38.72 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.933 0.788 . . . . 0.0 111.232 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.92 -48.85 66.97 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.761 1.225 . . . . 0.0 111.272 172.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.02 -44.01 94.89 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.766 0.712 . . . . 0.0 111.421 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 70.3 m -60.83 -28.71 69.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.138 0.975 . . . . 0.0 113.17 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -88.93 -39.21 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.134 1.373 . . . . 0.0 111.579 176.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.77 -50.84 18.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.726 1.21 . . . . 0.0 112.199 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -90.78 -21.48 21.51 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.839 1.656 . . . . 0.0 113.603 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.5 12.06 82.46 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.686 1.136 . . . . 0.0 115.055 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -91.15 2.21 56.51 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 118.48 1.14 . . . . 0.0 113.549 -169.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.6 m120 72.75 163.84 0.28 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.44 2.296 . . . . 0.0 114.69 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.207 1.803 . . . . 0.0 113.499 -174.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.85 -31.03 71.37 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.847 0.748 . . . . 0.0 112.15 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.61 -12.91 74.31 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.704 1.145 . . . . 0.0 113.562 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 mmt -97.44 -59.45 1.78 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.7 1.25 . . . . 0.0 111.121 164.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.99 -38.91 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.197 1.399 . . . . 0.0 112.181 -166.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.54 -25.7 60.44 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 118.458 0.572 . . . . 0.0 113.571 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.67 -27.91 22.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.465 1.106 . . . . 0.0 112.329 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.85 -28.93 67.93 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.98 1.312 . . . . 0.0 112.48 172.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.78 -40.54 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.028 0.931 . . . . 0.0 111.644 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.01 93.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.277 0.631 . . . . 0.0 111.338 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -67.62 -46.83 71.4 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.96 0.504 . . . . 0.0 111.224 175.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.14 -39.02 81.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.006 0.923 . . . . 0.0 112.904 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.75 -42.23 74.16 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.015 1.326 . . . . 0.0 110.978 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.2 t -64.86 -44.84 88.42 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.113 0.965 . . . . 0.0 113.452 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 t -74.66 -26.87 60.15 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.261 0.624 . . . . 0.0 112.016 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 80.31 42.45 0.06 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.121 2.568 . . . . 0.0 112.073 164.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -120.43 165.0 15.52 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.395 1.478 . . . . 0.0 112.857 -172.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 m -120.45 144.57 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.879 1.672 . . . . 0.0 110.101 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.84 163.59 27.62 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.465 1.031 . . . . 0.0 112.557 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.1 164.7 26.44 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.919 1.288 . . . . 0.0 111.397 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.9 t -173.06 158.21 3.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.226 2.21 . . . . 0.0 109.051 -167.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -53.53 -29.33 36.18 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.186 1.394 . . . . 0.0 113.874 -176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.1 -30.59 71.72 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.839 0.856 . . . . 0.0 112.659 175.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -84.18 -51.73 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.404 1.082 . . . . 0.0 110.095 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.16 -28.53 68.85 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.73 -41.1 72.3 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.289 0.95 . . . . 0.0 111.76 170.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.7 m -70.52 -28.2 64.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.654 0.782 . . . . 0.0 113.074 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -58.87 -29.66 67.15 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.331 1.052 . . . . 0.0 113.193 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.7 -44.8 85.05 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.776 -0.578 . . . . 0.0 111.466 172.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -68.54 -36.54 78.96 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.518 -0.739 . . . . 0.0 112.257 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -65.82 -28.6 69.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.483 1.513 . . . . 0.0 113.509 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -148.49 -59.76 0.24 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -170.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.62 -45.46 90.18 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.075 0.852 . . . . 0.0 112.658 -169.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.1 t -64.43 -32.3 73.87 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.28 1.032 . . . . 0.0 112.386 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -78.77 -27.43 44.62 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -120.17 -4.22 10.02 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -166.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.44 110.07 1.34 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.953 1.252 . . . . 0.0 111.549 176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.9 m -69.25 -12.01 61.3 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -77.56 -25.04 49.75 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.254 1.022 . . . . 0.0 112.767 168.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.26 -33.85 10.57 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.532 1.533 . . . . 0.0 113.103 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 124.839 1.256 . . . . 0.0 112.772 175.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 tpp . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -73.09 142.35 47.55 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -173.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.66 89.53 3.95 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.001 0.921 . . . . 0.0 109.455 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.9 t -68.48 122.65 18.89 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 123.78 0.832 . . . . 0.0 112.79 -175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.28 71.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.731 0.813 . . . . 0.0 112.313 173.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -73.7 -37.93 65.01 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.765 0.826 . . . . 0.0 112.193 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -66.76 -39.42 87.87 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.057 0.389 . . . . 0.0 110.699 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.49 -52.88 61.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.991 0.916 . . . . 0.0 110.54 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.5 70.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.528 1.131 . . . . 0.0 113.369 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -63.57 -38.71 92.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.572 0.624 . . . . 0.0 112.074 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -65.73 -36.21 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.308 -0.87 . . . . 0.0 111.412 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.61 -30.24 68.55 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.255 -0.903 . . . . 0.0 112.831 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.52 -22.23 61.06 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.704 0.801 . . . . 0.0 113.127 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.1 mt -77.81 -44.87 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.875 0.87 . . . . 0.0 110.496 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.02 -1.27 40.15 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.579 1.152 . . . . 0.0 113.866 -171.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.97 25.3 62.45 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.465 1.031 . . . . 0.0 114.336 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.8 mt -79.97 102.33 9.17 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.065 1.346 . . . . 0.0 109.581 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -84.61 73.15 10.6 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.316 1.046 . . . . 0.0 111.711 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -85.24 159.41 20.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.84 1.656 . . . . 0.0 111.94 167.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.18 169.88 9.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.764 1.226 . . . . 0.0 110.743 159.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.27 -35.87 67.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.024 0.929 . . . . 0.0 112.577 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.05 68.48 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.7 -32.4 21.95 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.081 0.952 . . . . 0.0 111.856 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.9 -47.57 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.093 1.315 . . . . 0.0 110.311 168.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.28 -34.94 71.08 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.367 0.667 . . . . 0.0 112.02 171.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -64.94 -30.21 71.19 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.907 -1.121 . . . . 0.0 113.868 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.32 -36.43 26.95 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.299 1.408 . . . . 0.0 112.146 170.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.9 -37.38 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.496 1.044 . . . . 0.0 111.367 170.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.69 -45.32 77.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.98 0.912 . . . . 0.0 111.677 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.19 -41.93 96.88 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.953 0.797 . . . . 0.0 110.962 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.2 m -57.09 -41.96 79.87 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.096 0.958 . . . . 0.0 111.762 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.15 -40.48 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.081 1.352 . . . . 0.0 111.58 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.94 -47.11 63.64 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.416 1.087 . . . . 0.0 112.605 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -94.52 -9.1 36.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.067 1.347 . . . . 0.0 114.337 -173.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.07 32.48 69.4 Favored Glycine 0 N--CA 1.476 1.327 0 CA-C-N 119.158 0.89 . . . . 0.0 112.823 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -124.28 154.75 39.78 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.509 1.924 . . . . 0.0 109.969 -171.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.82 157.72 35.9 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.425 1.107 . . . . 0.0 113.869 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -62.32 -38.43 89.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.515 1.926 . . . . 0.0 112.106 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.36 -29.44 70.51 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.803 0.841 . . . . 0.0 111.788 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.07 -34.86 61.34 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.677 1.132 . . . . 0.0 112.551 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.5 mmt -71.49 -55.34 8.07 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 117.683 0.742 . . . . 0.0 110.947 170.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.35 -37.26 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.508 0.723 . . . . 0.0 111.916 -175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -34.0 87.2 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.748 0.704 . . . . 0.0 114.101 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -83.15 -31.68 27.05 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.074 0.937 . . . . 0.0 111.836 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.18 -34.99 79.35 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.711 0.804 . . . . 0.0 112.647 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.9 mt -57.14 -44.51 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.444 1.098 . . . . 0.0 111.414 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.475 0.58 . . . . 0.0 111.797 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -66.4 -49.68 66.0 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.055 0.542 . . . . 0.0 111.655 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 97.7 m -61.63 -32.49 72.63 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 177.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.7 m -69.37 -45.69 68.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.661 1.184 . . . . 0.0 110.759 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -64.68 -42.4 95.38 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.017 0.927 . . . . 0.0 113.402 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.7 p -78.07 -25.19 47.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.148 0.979 . . . . 0.0 112.655 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 81.87 -2.85 1.56 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 129.415 3.086 . . . . 0.0 113.24 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -81.06 100.04 8.8 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.651 -1.281 . . . . 0.0 111.82 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.77 -14.5 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 124.406 1.082 . . . . 0.0 113.373 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.63 132.42 10.99 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.744 1.64 . . . . 0.0 110.854 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 mp -105.4 161.41 14.34 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.283 1.033 . . . . 0.0 112.5 -168.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.9 p -143.02 167.74 21.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.92 2.088 . . . . 0.0 109.748 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -60.3 -26.77 66.77 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -75.7 -40.66 55.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 111.595 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.47 -40.16 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.592 -0.693 . . . . 0.0 110.077 173.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.21 -38.09 75.21 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -58.47 -43.02 88.78 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.024 0.829 . . . . 0.0 111.593 171.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.8 m -67.71 -35.7 79.28 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 113.081 173.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.6 -34.5 77.96 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.687 1.13 . . . . 0.0 113.012 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.4 -42.13 91.03 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.475 -0.766 . . . . 0.0 111.366 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -71.89 -27.6 62.96 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 174.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -71.21 -24.25 62.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.12 1.368 . . . . 0.0 113.499 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -153.46 -36.05 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 115.378 1.622 . . . . 0.0 115.378 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.66 -53.96 5.03 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 112.635 -168.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.7 p -77.83 -2.56 37.12 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.99 -9.03 13.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.647 1.179 . . . . 0.0 113.354 162.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 91.72 71.08 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 130.276 3.431 . . . . 0.0 110.439 174.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.52 125.72 24.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.951 1.3 . . . . 0.0 111.26 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 m -62.0 -15.51 44.59 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -172.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -70.99 -23.15 62.14 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.681 1.193 . . . . 0.0 113.135 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.66 -8.88 2.45 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.449 1.5 . . . . 0.0 112.159 177.777 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mmm . . . . . 0 N--CA 1.485 1.325 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 t -137.88 115.83 11.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.889 0.875 . . . . 0.0 111.339 170.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.65 93.1 7.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.212 1.005 . . . . 0.0 110.54 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.7 t -148.74 143.7 26.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.781 1.232 . . . . 0.0 110.843 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.3 94.95 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.997 0.919 . . . . 0.0 112.541 -175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -70.16 -41.5 73.74 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.991 0.516 . . . . 0.0 111.207 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -59.0 -41.03 86.69 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.384 1.073 . . . . 0.0 111.508 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -78.18 -39.48 40.62 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.062 0.545 . . . . 0.0 112.045 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -28.15 68.28 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -65.14 -20.34 66.41 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.524 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -92.63 -36.0 13.22 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.517 1.053 . . . . 0.0 112.585 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.3 mt -48.87 -46.24 42.22 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.784 1.175 . . . . 0.0 111.698 174.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.18 -19.95 65.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.148 1.379 . . . . 0.0 113.68 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.2 mm -76.91 -38.76 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 119.597 1.09 . . . . 0.0 111.272 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -83.08 -7.56 59.63 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.914 1.286 . . . . 0.0 112.995 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.59 13.2 73.51 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.678 1.132 . . . . 0.0 113.868 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.54 152.87 40.49 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.187 0.993 . . . . 0.0 110.825 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -152.38 121.46 6.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.714 1.606 . . . . 0.0 109.613 175.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.7 m -131.68 154.79 48.61 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.211 1.404 . . . . 0.0 112.048 -170.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.38 157.66 32.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.292 0.637 . . . . 0.0 111.184 165.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.24 -35.03 64.53 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.698 0.799 . . . . 0.0 112.388 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.21 68.6 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -86.92 -36.05 18.57 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.362 0.665 . . . . 0.0 111.832 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.11 -46.28 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 119.164 0.893 . . . . 0.0 110.583 173.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -53.86 -34.04 58.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.423 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -68.42 -35.53 77.76 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.79 -1.194 . . . . 0.0 113.005 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.39 -39.94 52.27 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.264 0.938 . . . . 0.0 111.038 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.81 -35.82 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.436 0.694 . . . . 0.0 112.014 175.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.51 -46.99 83.14 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.665 1.186 . . . . 0.0 111.399 172.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.9 mt -59.92 -39.17 84.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.709 -0.62 . . . . 0.0 110.99 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.56 -15.44 58.03 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 174.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -90.48 -50.62 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.632 1.173 . . . . 0.0 111.024 168.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -72.9 -32.28 65.23 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -172.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -106.74 -21.36 13.06 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.511 1.524 . . . . 0.0 112.747 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 -8.81 24.73 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.601 1.572 . . . . 0.0 115.564 176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.99 156.01 32.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.982 1.713 . . . . 0.0 112.401 -175.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -55.37 132.13 47.41 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.959 1.304 . . . . 0.0 112.608 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 2.8 mp0 -46.61 -37.69 8.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.499 2.319 . . . . 0.0 112.92 171.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -30.57 68.2 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.819 1.248 . . . . 0.0 113.081 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.92 -43.31 17.79 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.691 1.138 . . . . 0.0 111.841 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -40.42 92.31 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.834 0.854 . . . . 0.0 112.013 174.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -74.62 -45.11 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.074 0.95 . . . . 0.0 111.776 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.2 -40.92 14.82 Favored Glycine 0 N--CA 1.471 0.984 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.495 -168.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -71.2 -22.99 61.95 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.931 1.366 . . . . 0.0 112.287 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.8 tp -65.75 -28.99 69.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.446 1.099 . . . . 0.0 112.261 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.87 -43.68 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.375 1.07 . . . . 0.0 111.294 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.23 92.58 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.114 0.565 . . . . 0.0 111.735 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -67.36 -46.2 74.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.462 0.705 . . . . 0.0 111.797 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.83 -35.92 81.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.685 0.675 . . . . 0.0 112.618 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.8 m -66.57 -44.66 81.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.812 1.245 . . . . 0.0 110.201 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -63.64 -42.0 98.17 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -76.98 -21.61 54.46 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.131 -0.981 . . . . 0.0 113.312 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.7 m80 73.79 -3.15 2.57 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 128.399 2.679 . . . . 0.0 113.804 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -72.49 146.98 46.47 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.741 -1.225 . . . . 0.0 112.39 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.7 t -94.69 135.26 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.405 1.482 . . . . 0.0 108.864 175.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.1 179.43 52.59 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 124.466 1.032 . . . . 0.0 113.948 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.4 mt -129.91 145.71 51.61 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.222 1.809 . . . . 0.0 111.022 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -141.53 160.54 39.93 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.352 2.261 . . . . 0.0 108.87 176.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -54.49 -33.35 59.64 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.05 -35.85 80.77 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 112.396 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.53 -39.53 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.375 -0.828 . . . . 0.0 110.091 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -31.72 69.21 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 173.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.74 -37.14 81.77 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.633 1.106 . . . . 0.0 111.802 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.7 m -66.37 -39.65 89.24 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.071 -1.018 . . . . 0.0 112.712 170.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -56.1 -35.36 66.95 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.719 1.145 . . . . 0.0 113.886 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -58.43 -42.95 88.47 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.438 0.695 . . . . 0.0 111.966 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -83.91 -27.39 28.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.61 1.164 . . . . 0.0 112.992 -178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -67.05 -33.79 76.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.146 1.778 . . . . 0.0 112.771 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -149.65 -42.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.36 -54.78 27.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.432 1.015 . . . . 0.0 111.583 -173.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.2 m -64.56 -22.85 67.08 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -69.11 -41.82 76.91 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.125 -0.984 . . . . 0.0 112.675 174.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -94.16 -13.15 27.01 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.447 1.499 . . . . 0.0 114.394 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 tp -57.82 130.72 47.75 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.316 1.446 . . . . 0.0 112.849 -176.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.4 p -94.94 -18.36 21.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.005 1.322 . . . . 0.0 113.849 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -69.11 -27.94 66.04 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.832 1.653 . . . . 0.0 113.482 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.45 -9.08 51.5 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.522 1.529 . . . . 0.0 114.22 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.075 1.35 . . . . 0.0 113.126 -176.263 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -65.47 115.61 5.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.338 1.055 . . . . 0.0 112.951 -173.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.44 155.24 34.58 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 129.261 3.025 . . . . 0.0 112.141 -3.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t -168.46 139.1 2.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.946 1.298 . . . . 0.0 111.114 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.82 71.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.064 0.946 . . . . 0.0 112.519 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -65.33 -32.64 74.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.758 1.223 . . . . 0.0 111.743 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -94.09 -36.89 11.89 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.85 0.86 . . . . 0.0 112.486 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.89 -36.38 81.11 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.34 0.973 . . . . 0.0 111.798 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.15 60.47 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.42 -33.04 48.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.647 0.779 . . . . 0.0 111.735 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.28 -33.54 73.37 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.76 0.824 . . . . 0.0 111.783 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.9 mt -53.59 -34.83 59.78 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.341 1.057 . . . . 0.0 112.456 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -70.83 -20.74 62.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.157 0.983 . . . . 0.0 112.683 -176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.0 mm -73.34 -35.47 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.148 0.979 . . . . 0.0 111.047 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -98.34 -9.94 24.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.269 1.428 . . . . 0.0 113.523 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.6 18.63 61.54 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.753 1.168 . . . . 0.0 113.987 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.4 mt -76.07 159.38 30.83 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.272 1.036 . . . . 0.0 111.449 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -148.6 39.41 0.88 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.13 1.372 . . . . 0.0 111.784 -172.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -57.8 143.11 43.36 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.484 1.514 . . . . 0.0 112.532 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.26 161.34 31.24 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.478 0.711 . . . . 0.0 111.809 169.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.14 -35.99 67.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.734 0.814 . . . . 0.0 112.153 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.23 67.94 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.3 mt -87.51 -34.34 18.66 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.599 0.759 . . . . 0.0 111.749 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.6 mt -55.79 -46.15 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 119.644 1.111 . . . . 0.0 110.459 170.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -56.82 -34.28 67.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.295 0.638 . . . . 0.0 112.419 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -69.76 -29.77 67.19 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.634 -1.291 . . . . 0.0 113.269 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.55 -38.21 26.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.771 1.169 . . . . 0.0 111.072 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.27 -39.21 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 118.855 0.752 . . . . 0.0 111.282 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.25 -40.66 59.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.221 1.008 . . . . 0.0 111.62 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.93 -45.28 74.78 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.636 -0.665 . . . . 0.0 110.198 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -62.0 -30.05 70.69 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.875 0.87 . . . . 0.0 113.01 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -75.92 -45.43 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.467 1.107 . . . . 0.0 111.012 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -75.07 -49.74 18.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.95 0.9 . . . . 0.0 112.666 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -88.57 -17.3 30.48 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.261 1.424 . . . . 0.0 113.747 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.28 -0.87 62.36 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 125.392 1.472 . . . . 0.0 114.776 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -80.37 145.0 32.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.776 1.63 . . . . 0.0 111.233 -175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -63.64 149.1 47.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.145 1.378 . . . . 0.0 112.723 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.87 -34.03 52.62 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.071 1.748 . . . . 0.0 114.642 -170.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.78 -28.84 69.74 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.53 -17.27 79.86 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 124.365 0.983 . . . . 0.0 112.63 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.6 mmt -93.8 -53.79 3.88 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.152 0.981 . . . . 0.0 110.601 171.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.0 t -68.64 -43.21 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.127 0.971 . . . . 0.0 112.139 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.52 -39.93 24.39 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-N 118.735 0.698 . . . . 0.0 113.288 -174.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -69.98 -20.63 63.29 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.644 0.778 . . . . 0.0 112.951 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.28 -30.81 70.78 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 112.624 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.76 -41.05 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 118.651 0.659 . . . . 0.0 110.437 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.53 -28.31 69.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.06 0.944 . . . . 0.0 113.032 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.15 -44.59 53.04 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.787 -0.571 . . . . 0.0 111.293 170.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.93 -39.14 91.02 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 p -68.74 -48.87 62.66 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.035 0.834 . . . . 0.0 111.728 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.9 m -66.01 -31.45 72.35 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 p -83.84 -26.5 29.45 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 172.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 72.34 11.87 5.76 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 127.342 2.257 . . . . 0.0 113.264 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 145.57 52.63 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.291 -1.505 . . . . 0.0 112.594 177.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.27 141.62 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.028 1.331 . . . . 0.0 110.568 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.08 -169.56 39.11 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.375 0.988 . . . . 0.0 113.939 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 mt -134.5 143.7 47.61 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.921 1.688 . . . . 0.0 110.204 175.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -138.72 161.84 36.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.864 2.065 . . . . 0.0 109.245 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -57.73 -29.55 64.83 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -74.46 -29.59 61.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.266 1.026 . . . . 0.0 113.247 175.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.96 -40.5 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.879 -1.138 . . . . 0.0 109.776 172.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.75 -31.69 69.79 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.36 -45.81 89.45 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.17 0.988 . . . . 0.0 110.848 170.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.8 m -65.47 -33.14 75.25 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.011 -1.056 . . . . 0.0 113.328 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.69 -34.78 74.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.422 1.01 . . . . 0.0 113.498 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.84 -36.96 75.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.792 0.724 . . . . 0.0 111.94 172.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -85.97 -15.84 40.27 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.565 1.146 . . . . 0.0 112.367 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -85.56 -20.89 28.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.44 1.496 . . . . 0.0 112.879 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -150.8 -51.57 0.13 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.45 -38.74 88.05 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.247 0.93 . . . . 0.0 113.017 -168.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.7 p -74.9 -23.62 58.4 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -77.17 -47.45 20.3 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.112 -0.992 . . . . 0.0 113.187 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -149.35 121.94 8.58 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.887 1.675 . . . . 0.0 110.387 -166.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -158.8 142.87 15.46 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 127.211 2.205 . . . . 0.0 110.896 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.8 p -77.0 -16.31 59.36 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -64.11 -33.36 75.59 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.819 1.648 . . . . 0.0 112.915 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.08 -6.04 15.23 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.603 1.561 . . . . 0.0 114.829 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 C--O 1.256 1.409 0 C-N-CA 125.004 1.322 . . . . 0.0 113.193 -176.465 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.8 tpp . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -72.48 161.81 30.31 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.57 -27.6 66.21 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 t 82.78 125.5 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 128.676 2.791 . . . . 0.0 113.485 173.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.56 -30.68 71.45 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.327 -0.858 . . . . 0.0 112.102 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -69.61 -22.97 63.45 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.035 0.934 . . . . 0.0 112.241 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -89.77 -42.98 10.98 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.036 0.934 . . . . 0.0 111.203 173.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.84 -36.08 80.13 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.346 -0.846 . . . . 0.0 111.799 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.74 65.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.72 -31.68 68.62 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.136 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -70.96 -33.01 70.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.854 0.861 . . . . 0.0 112.373 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -54.08 -32.91 56.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.206 1.403 . . . . 0.0 112.525 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.68 -29.11 70.4 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.418 1.487 . . . . 0.0 112.315 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.8 mm -83.6 -39.35 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.768 1.227 . . . . 0.0 110.475 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -84.82 -6.94 59.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.823 1.249 . . . . 0.0 113.618 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.99 21.57 70.73 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.735 1.16 . . . . 0.0 113.247 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.37 161.46 20.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.435 1.494 . . . . 0.0 112.154 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -153.3 129.67 10.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.968 1.707 . . . . 0.0 109.971 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 m -149.33 156.59 42.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.134 1.774 . . . . 0.0 111.238 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -76.55 154.45 34.5 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 123.106 0.562 . . . . 0.0 110.921 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.22 -33.77 59.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.36 1.064 . . . . 0.0 112.656 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.17 70.95 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.72 0.808 . . . . 0.0 112.702 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.06 -35.81 25.43 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.691 0.678 . . . . 0.0 112.132 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.61 -45.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 119.195 0.907 . . . . 0.0 110.752 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.64 -29.37 69.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.174 0.99 . . . . 0.0 112.775 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -65.8 -34.14 77.48 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 174.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.03 -35.44 66.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.917 1.235 . . . . 0.0 111.707 172.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.34 -40.7 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 118.798 0.726 . . . . 0.0 110.748 170.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.31 -31.79 69.48 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.293 1.037 . . . . 0.0 111.964 174.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -73.77 -46.7 44.03 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.663 -1.273 . . . . 0.0 110.757 171.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.17 -37.39 72.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.789 1.177 . . . . 0.0 112.734 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.2 t -73.47 -33.38 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.954 1.302 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -90.81 -46.28 8.31 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.337 0.971 . . . . 0.0 113.033 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -82.49 -20.44 36.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.408 1.083 . . . . 0.0 112.561 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.6 2.45 88.02 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.803 1.668 . . . . 0.0 114.784 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -90.54 143.29 26.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.265 1.426 . . . . 0.0 110.538 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -72.26 161.78 30.38 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.9 -40.08 60.13 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.698 2.399 . . . . 0.0 112.843 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.15 -25.29 66.9 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.0 -52.37 4.1 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 124.413 1.006 . . . . 0.0 110.936 172.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -38.91 84.41 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.933 . . . . 0.0 112.777 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.9 t -79.65 -48.87 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.141 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.22 -26.22 62.22 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 115.244 0.857 . . . . 0.0 115.244 -166.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -85.57 -16.1 40.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.427 1.114 . . . . 0.0 113.437 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.58 -27.32 67.63 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.614 1.166 . . . . 0.0 112.997 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.8 mp -62.23 -31.29 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.872 0.869 . . . . 0.0 111.15 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.4 78.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.692 0.797 . . . . 0.0 112.922 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.51 -47.43 69.98 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.118 0.967 . . . . 0.0 110.43 175.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 81.8 m -60.84 -38.48 85.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.11 0.964 . . . . 0.0 112.494 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.0 m -65.7 -49.27 69.15 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.965 1.306 . . . . 0.0 110.549 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.1 m -65.6 -34.49 78.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.4 p -87.26 -23.71 24.61 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 76.95 5.58 3.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 128.678 2.791 . . . . 0.0 112.737 -175.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -69.83 135.02 49.16 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.927 -1.108 . . . . 0.0 112.365 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.4 m -93.5 -4.64 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.97 1.308 . . . . 0.0 113.847 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.84 161.66 24.58 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.611 1.577 . . . . 0.0 113.21 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 mp -128.58 161.96 28.38 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.469 1.508 . . . . 0.0 111.716 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -141.51 168.53 19.54 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.921 2.088 . . . . 0.0 109.732 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.6 p -60.7 -28.12 68.4 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.16 -33.34 61.49 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.119 0.968 . . . . 0.0 112.114 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -69.78 -42.42 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 121.45 -0.781 . . . . 0.0 110.361 174.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.53 -26.68 62.75 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.139 0.881 . . . . 0.0 113.304 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -68.2 -39.0 82.57 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.108 -0.995 . . . . 0.0 111.404 166.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -66.96 -37.81 84.95 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.305 -0.872 . . . . 0.0 112.721 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.06 -34.81 45.17 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.591 1.557 . . . . 0.0 113.883 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -55.82 -43.58 77.07 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.786 1.234 . . . . 0.0 112.527 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -95.23 -27.32 15.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.434 1.493 . . . . 0.0 112.267 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -69.39 -37.42 77.53 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.909 1.684 . . . . 0.0 112.226 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -144.62 -40.25 0.26 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -54.22 25.97 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.533 1.06 . . . . 0.0 113.354 -169.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.8 p -64.67 -40.13 94.87 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.4 -0.813 . . . . 0.0 112.414 177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -69.26 -20.14 63.93 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -89.0 -40.9 12.68 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.372 1.469 . . . . 0.0 112.487 172.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.92 -46.5 52.25 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.905 0.882 . . . . 0.0 112.187 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.0 m 63.46 16.39 9.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.015 1.726 . . . . 0.0 114.36 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -147.93 127.59 13.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.648 1.579 . . . . 0.0 111.568 -170.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 68.13 -18.65 0.15 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 128.194 2.597 . . . . 0.0 116.512 171.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 127.154 2.182 . . . . 0.0 110.964 -175.764 . . . . . . . . 0 0 . 1 stop_ save_