data_2k1o_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 2k1o _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 ' 23' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 121.055 0.455 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -118.5 102.14 8.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.587 1.555 . . . . 0.0 109.557 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 p -74.33 160.43 31.07 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.0 t -138.57 134.75 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.575 1.55 . . . . 0.0 108.596 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 t -153.49 125.55 7.9 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -157.97 -179.47 8.17 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 0.0 112.974 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -126.13 154.81 42.62 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.073 1.749 . . . . 0.0 112.725 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -143.87 170.45 15.87 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.188 2.595 . . . . 0.0 111.046 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 m -78.8 161.48 26.78 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.766 1.226 . . . . 0.0 111.939 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -54.5 -53.15 58.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.092 0.957 . . . . 0.0 112.305 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -68.35 -38.27 81.29 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.915 1.286 . . . . 0.0 111.934 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -61.82 -49.75 75.04 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.681 0.793 . . . . 0.0 111.469 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.45 -37.9 87.69 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.029 -0.419 . . . . 0.0 112.097 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.6 -35.11 79.41 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.06 -48.46 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.453 1.024 . . . . 0.0 110.491 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.24 -41.73 93.76 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.795 0.725 . . . . 0.0 112.109 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -57.98 -47.39 83.12 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.463 1.505 . . . . 0.0 112.567 174.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -63.78 -50.61 68.31 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.127 0.876 . . . . 0.0 111.489 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.14 -35.45 77.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.373 0.669 . . . . 0.0 112.11 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -59.86 3.7 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 111.479 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.42 -27.64 49.14 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.38 -21.34 49.9 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 171.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -142.58 -42.4 0.32 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -148.01 91.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 128.28 2.632 . . . . 0.0 109.622 -171.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.55 47.72 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.977 2.511 . . . . 0.0 116.906 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -142.2 91.84 2.38 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.989 2.516 . . . . 0.0 109.369 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 -40.31 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.123 0.969 . . . . 0.0 112.506 -168.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -61.57 -46.39 90.09 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.426 -0.796 . . . . 0.0 113.057 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -65.3 -44.04 89.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.388 0.675 . . . . 0.0 111.392 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.81 -47.16 80.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.347 1.059 . . . . 0.0 112.461 173.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.23 -44.86 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.999 0.818 . . . . 0.0 111.244 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.33 -45.64 84.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.654 1.115 . . . . 0.0 111.676 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -59.79 -46.9 87.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.173 1.389 . . . . 0.0 112.511 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -55.83 -49.69 72.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.672 1.589 . . . . 0.0 111.918 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.26 -50.48 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.9 0.88 . . . . 0.0 110.437 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.0 tp -54.97 -55.89 25.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.114 0.565 . . . . 0.0 111.445 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.99 -38.64 91.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.133 0.973 . . . . 0.0 113.312 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.5 p -72.04 -27.85 62.97 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.475 0.784 0 CA-C-N 119.032 0.833 . . . . 0.0 111.189 171.231 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 121.692 0.758 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -129.44 137.53 50.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.338 1.855 . . . . 0.0 110.227 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -116.26 156.72 26.1 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -165.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.51 129.09 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.977 1.311 . . . . 0.0 109.111 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -141.58 136.07 30.7 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.737 1.215 . . . . 0.0 111.66 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.31 -172.64 3.05 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.315 1.446 . . . . 0.0 111.531 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -127.08 149.47 49.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.937 1.295 . . . . 0.0 112.936 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 79.8 mt -124.75 162.84 23.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.025 2.13 . . . . 0.0 110.359 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -78.71 159.8 27.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.456 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -52.8 -49.24 66.01 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.065 0.946 . . . . 0.0 112.61 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -71.98 -44.91 62.76 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.308 0.643 . . . . 0.0 112.464 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.73 -37.08 79.18 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.38 -0.825 . . . . 0.0 111.984 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.51 -43.9 88.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.845 -0.534 . . . . 0.0 111.615 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.48 -40.87 96.11 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.421 1.01 . . . . 0.0 113.399 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -60.41 -49.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.471 -0.768 . . . . 0.0 110.76 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.97 -31.87 73.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.005 0.82 . . . . 0.0 113.011 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -63.0 -43.69 98.09 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.605 1.093 . . . . 0.0 111.792 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.45 -48.44 77.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.559 1.072 . . . . 0.0 111.942 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.82 -36.45 79.08 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.998 0.919 . . . . 0.0 112.387 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.13 -54.05 24.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.833 0.853 . . . . 0.0 111.761 170.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.18 -27.56 46.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.673 1.589 . . . . 0.0 114.24 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -55.91 -25.83 44.71 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 170.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -142.47 -45.72 0.32 Allowed 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.94 87.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.843 2.457 . . . . 0.0 109.572 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.95 -15.59 9.38 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -66.51 91.66 0.18 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.278 1.431 . . . . 0.0 111.717 173.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 t -57.82 -42.95 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.632 1.173 . . . . 0.0 113.11 -168.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -66.37 -35.27 79.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.225 -0.922 . . . . 0.0 112.795 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -67.78 -41.6 82.98 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.698 0.681 . . . . 0.0 111.773 171.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.29 -44.2 88.39 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.169 -0.957 . . . . 0.0 112.421 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.45 -46.3 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.509 -0.745 . . . . 0.0 111.817 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -52.74 -49.66 65.01 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.125 0.875 . . . . 0.0 111.59 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -61.01 -43.13 99.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.478 1.511 . . . . 0.0 112.34 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -56.14 -48.18 76.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.491 1.116 . . . . 0.0 112.432 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.76 -50.18 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.116 0.567 . . . . 0.0 110.497 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.89 -55.23 28.72 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.389 0.676 . . . . 0.0 111.292 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.23 -36.43 70.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.236 1.015 . . . . 0.0 113.056 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -71.79 -44.15 64.48 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.457 0.703 . . . . 0.0 112.139 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 23.5 mm . . . . . 0 N--CA 1.473 0.702 0 C-N-CA 124.408 1.083 . . . . 0.0 112.768 -174.435 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 m120 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.407 0.622 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -126.75 108.43 11.05 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.532 1.933 . . . . 0.0 109.919 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 p -76.88 159.05 30.34 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -171.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.3 t -137.44 134.28 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 108.472 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -153.97 124.99 7.3 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 0.0 111.23 -172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -157.69 179.0 9.64 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.291 1.036 . . . . 0.0 113.09 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.07 150.76 46.47 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.707 1.603 . . . . 0.0 112.783 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.06 178.95 6.79 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.13 2.572 . . . . 0.0 110.543 -174.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.1 t -88.25 156.63 19.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.926 1.29 . . . . 0.0 111.48 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -54.52 -44.5 72.81 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.594 1.158 . . . . 0.0 112.758 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.6 -42.18 95.73 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.177 0.591 . . . . 0.0 112.161 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.78 -49.32 73.41 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.826 0.85 . . . . 0.0 111.429 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -62.65 -40.19 96.25 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.614 -0.679 . . . . 0.0 111.829 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.04 -48.03 82.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.012 0.925 . . . . 0.0 113.063 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.78 -37.97 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.812 1.187 . . . . 0.0 112.28 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.03 -45.92 89.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.089 0.859 . . . . 0.0 111.262 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -62.07 -36.59 82.12 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 118.061 -0.971 . . . . 0.0 112.665 174.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.8 -51.95 62.45 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.438 1.472 . . . . 0.0 111.195 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.73 -32.61 71.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.543 0.737 . . . . 0.0 112.445 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.44 -53.61 27.46 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.443 0.697 . . . . 0.0 111.966 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.01 -25.13 63.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.608 1.963 . . . . 0.0 114.265 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -55.26 -16.44 3.32 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 166.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.91 -54.46 0.54 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.922 1.289 . . . . 0.0 113.764 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -153.25 101.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 128.122 2.569 . . . . 0.0 107.686 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.55 -13.87 16.63 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -170.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -57.77 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.591 1.956 . . . . 0.0 113.126 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.5 t -56.83 -39.2 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.647 1.179 . . . . 0.0 112.636 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -56.86 -51.64 68.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.787 0.835 . . . . 0.0 112.995 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -64.83 -46.73 80.69 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.644 1.178 . . . . 0.0 111.583 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -56.78 -49.5 75.13 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 112.338 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.79 -45.04 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.615 0.766 . . . . 0.0 111.334 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.35 -49.79 66.38 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.711 1.141 . . . . 0.0 112.121 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.71 -41.99 91.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.225 1.41 . . . . 0.0 112.627 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -56.2 -48.43 76.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.351 1.461 . . . . 0.0 112.442 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.26 -51.39 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.957 0.903 . . . . 0.0 110.469 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.04 -54.6 36.99 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.843 . . . . 0.0 111.249 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -58.22 -44.78 88.34 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.134 0.973 . . . . 0.0 112.494 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.4 m -64.45 -39.02 93.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.111 0.565 . . . . 0.0 111.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.3 mt . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 123.576 0.75 . . . . 0.0 111.316 175.325 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 m120 . . . . . 0 CA--C 1.534 0.342 0 CA-C-O 122.242 1.02 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -141.32 148.84 40.39 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.517 2.327 . . . . 0.0 109.728 -169.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.67 157.07 30.4 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -166.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -138.36 133.37 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.956 1.303 . . . . 0.0 109.641 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p -141.89 141.73 33.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.054 1.341 . . . . 0.0 111.519 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -165.71 -172.85 2.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.751 1.62 . . . . 0.0 111.171 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -125.82 154.87 41.99 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.273 1.429 . . . . 0.0 112.224 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -132.9 175.12 9.63 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.132 2.173 . . . . 0.0 109.24 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 82.9 p -78.95 157.69 28.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 122.864 0.466 . . . . 0.0 111.506 171.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.5 -40.45 62.41 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.553 0.741 . . . . 0.0 112.403 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.86 -49.76 66.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.089 0.556 . . . . 0.0 111.677 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.37 -49.27 78.24 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 110.992 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.77 -38.2 90.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.165 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.87 -44.33 93.38 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.375 0.989 . . . . 0.0 112.87 173.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.77 -49.43 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.712 -0.617 . . . . 0.0 111.256 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -33.23 75.52 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.73 -0.606 . . . . 0.0 112.619 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -63.17 -47.09 84.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.509 1.049 . . . . 0.0 111.744 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -60.37 -47.08 87.59 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.506 1.048 . . . . 0.0 111.531 174.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.24 -36.63 82.59 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 112.747 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.51 62.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.173 0.989 . . . . 0.0 112.355 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.1 -26.43 66.21 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.664 1.186 . . . . 0.0 113.21 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.04 -29.14 67.06 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.16 -10.39 0.14 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 118.227 2.677 . . . . 0.0 118.227 -166.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.39 -29.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 126.245 1.818 . . . . 0.0 112.846 -175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 65.9 9.32 6.01 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.285 1.834 . . . . 0.0 115.857 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.5 m -143.49 111.37 6.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.893 1.677 . . . . 0.0 110.489 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.17 -42.85 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 0.0 112.37 -169.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -69.23 -40.3 78.01 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 88.8 p -72.37 -33.71 67.43 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.135 0.879 . . . . 0.0 112.244 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -58.08 -46.75 84.95 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.91 0.777 . . . . 0.0 111.986 167.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.316 -0.865 . . . . 0.0 111.881 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -55.12 -46.48 75.61 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.094 -1.004 . . . . 0.0 112.139 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -60.9 -45.75 93.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.882 1.273 . . . . 0.0 112.118 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.07 -47.61 71.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.983 1.313 . . . . 0.0 112.413 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 29.7 mt -66.75 -49.72 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.205 0.602 . . . . 0.0 110.578 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.8 -47.27 83.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.075 0.95 . . . . 0.0 111.716 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.17 -40.48 85.74 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.315 1.046 . . . . 0.0 112.454 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 39.2 m -73.25 -15.13 61.43 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 N--CA 1.48 1.063 0 O-C-N 120.993 -1.067 . . . . 0.0 112.673 -173.844 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 m120 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 121.858 0.837 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -137.89 144.57 41.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.556 1.942 . . . . 0.0 109.872 -168.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.68 159.52 23.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.867 0.842 . . . . 0.0 112.922 -165.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.85 131.91 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.382 1.473 . . . . 0.0 108.18 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -153.2 121.89 6.39 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.275 1.03 . . . . 0.0 111.764 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -158.24 -172.39 3.87 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.63 1.572 . . . . 0.0 112.18 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.74 152.17 48.08 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.609 1.564 . . . . 0.0 112.735 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -133.95 178.05 7.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.086 2.154 . . . . 0.0 109.497 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.9 m -83.66 151.91 25.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.573 0.749 . . . . 0.0 111.11 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -46.76 -46.98 20.83 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.463 1.505 . . . . 0.0 113.751 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.52 -42.18 78.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.045 0.938 . . . . 0.0 112.26 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.15 -47.68 83.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.242 0.617 . . . . 0.0 111.02 172.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -59.94 -42.71 94.59 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.791 -0.568 . . . . 0.0 112.331 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.66 -46.43 89.06 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.282 1.033 . . . . 0.0 112.606 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.43 -50.14 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.606 -0.684 . . . . 0.0 111.538 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.66 -39.44 84.44 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.535 0.734 . . . . 0.0 112.142 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.52 -44.21 94.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.118 1.367 . . . . 0.0 112.381 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -64.68 -45.84 84.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.86 0.755 . . . . 0.0 111.797 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -36.84 82.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.108 0.563 . . . . 0.0 111.865 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.15 69.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.637 0.775 . . . . 0.0 112.069 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.27 -30.17 66.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.457 1.026 . . . . 0.0 113.469 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -64.43 -21.39 66.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -154.08 -11.68 0.14 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 118.239 2.681 . . . . 0.0 118.239 -170.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -136.55 -30.22 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 125.772 1.629 . . . . 0.0 112.991 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 64.79 6.94 3.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.72 2.008 . . . . 0.0 116.081 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -142.38 105.87 4.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.743 1.617 . . . . 0.0 110.33 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -60.76 -40.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.964 0.906 . . . . 0.0 112.665 -169.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -57.34 -53.75 54.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.361 1.064 . . . . 0.0 112.443 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -63.15 -40.45 97.6 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.095 0.958 . . . . 0.0 111.789 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.09 -50.26 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.056 0.943 . . . . 0.0 112.309 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 118.969 0.804 . . . . 0.0 111.059 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -54.47 -50.22 68.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -66.15 -39.62 89.94 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.777 1.231 . . . . 0.0 112.907 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.27 -47.92 77.62 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.754 1.222 . . . . 0.0 112.218 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.39 -48.77 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.444 0.698 . . . . 0.0 110.355 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.95 -56.91 12.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.645 0.778 . . . . 0.0 111.308 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.87 -41.72 87.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.062 1.345 . . . . 0.0 113.075 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.1 m -66.48 -40.34 89.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.062 0.545 . . . . 0.0 111.739 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.473 0.699 0 C-N-CA 124.068 0.947 . . . . 0.0 112.002 179.211 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 121.182 0.515 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -123.5 112.88 18.01 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.516 1.926 . . . . 0.0 109.983 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -81.05 156.81 25.66 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 128.39 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.381 1.472 . . . . 0.0 108.839 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 144.75 33.73 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.395 1.078 . . . . 0.0 111.425 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -163.78 178.81 7.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.91 1.284 . . . . 0.0 112.257 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -127.06 152.55 47.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.293 1.437 . . . . 0.0 112.791 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -140.66 178.52 7.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.325 2.65 . . . . 0.0 110.267 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 m -92.87 159.58 15.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 0.0 111.26 172.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.1 -48.2 76.62 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.85 0.86 . . . . 0.0 113.207 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.06 -41.94 94.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.108 0.563 . . . . 0.0 111.962 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.22 -48.3 82.31 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.497 0.719 . . . . 0.0 111.63 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.32 -37.55 85.64 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.97 -42.31 99.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.255 0.934 . . . . 0.0 112.915 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.12 -47.58 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.425 0.69 . . . . 0.0 111.072 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.89 -40.61 89.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.608 0.64 . . . . 0.0 112.241 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.95 -45.09 95.21 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.56 1.144 . . . . 0.0 112.037 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.38 -50.68 68.93 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.107 0.867 . . . . 0.0 111.847 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.28 -38.65 77.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.613 1.165 . . . . 0.0 112.265 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.13 -58.83 3.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.662 1.185 . . . . 0.0 111.726 171.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.29 -21.83 50.44 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.184 1.394 . . . . 0.0 114.598 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.56 -29.38 6.87 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 164.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -142.06 -27.3 0.64 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.3 t -149.25 94.85 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 127.945 2.498 . . . . 0.0 108.226 -168.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.95 -27.75 46.09 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -79.76 107.39 12.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.938 0.895 . . . . 0.0 111.344 172.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.14 -39.87 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.132 0.973 . . . . 0.0 111.704 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -72.74 -34.54 67.12 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.23 -0.919 . . . . 0.0 112.895 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.4 t -68.46 -38.93 81.55 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.987 0.812 . . . . 0.0 111.543 172.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -57.79 -46.14 85.05 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.887 0.875 . . . . 0.0 112.34 169.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.46 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.27 0.941 . . . . 0.0 111.629 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -53.79 -49.72 67.66 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.631 0.772 . . . . 0.0 111.84 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -59.28 -44.94 92.42 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.55 1.14 . . . . 0.0 112.143 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.08 -49.26 74.31 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.108 1.363 . . . . 0.0 112.464 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.85 -47.97 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.356 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 78.4 mt -58.42 -53.03 62.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.048 0.539 . . . . 0.0 111.796 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -60.9 -25.12 66.5 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.4 m -80.69 -18.34 48.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.188 0.995 . . . . 0.0 113.129 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.481 1.119 0 O-C-N 121.143 -0.973 . . . . 0.0 113.106 -165.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.0 m120 . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 121.503 0.668 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.79 124.53 39.9 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.561 1.545 . . . . 0.0 109.454 -172.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 p -94.68 161.14 14.31 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.51 135.97 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.334 1.453 . . . . 0.0 108.842 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.83 123.0 5.92 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.384 1.074 . . . . 0.0 111.215 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -154.21 166.71 32.28 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.267 1.027 . . . . 0.0 112.872 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -100.24 154.77 18.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.494 1.118 . . . . 0.0 112.405 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.52 163.43 29.42 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.837 2.455 . . . . 0.0 110.22 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -70.51 153.25 43.12 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.322 1.049 . . . . 0.0 110.586 163.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.68 -38.95 57.22 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.653 0.781 . . . . 0.0 112.41 169.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.33 -52.8 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.075 0.55 . . . . 0.0 112.428 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.77 -35.05 76.58 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.433 -0.792 . . . . 0.0 112.028 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -62.38 -45.62 92.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.73 172.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.93 -44.87 94.08 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.044 0.838 . . . . 0.0 112.337 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.18 -52.19 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.053 0.842 . . . . 0.0 111.075 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.84 -39.64 85.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -61.86 -47.17 86.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.444 1.098 . . . . 0.0 112.421 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.97 -41.75 86.32 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.834 1.197 . . . . 0.0 111.799 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -37.81 84.82 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -49.24 64.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.781 0.832 . . . . 0.0 112.53 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.98 -27.68 67.05 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.277 1.031 . . . . 0.0 113.145 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.16 -27.2 68.79 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.71 -9.61 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 118.155 2.65 . . . . 0.0 118.155 -169.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.46 -33.07 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 125.525 1.53 . . . . 0.0 112.965 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 63.17 10.91 4.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 126.36 1.864 . . . . 0.0 115.969 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 99.57 3.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.165 1.786 . . . . 0.0 109.977 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.95 -40.03 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.2 1.0 . . . . 0.0 112.814 -168.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -60.73 -47.32 86.8 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.046 0.839 . . . . 0.0 112.594 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -66.18 -41.98 89.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.588 1.155 . . . . 0.0 111.79 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.1 -46.46 85.49 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.579 0.752 . . . . 0.0 112.385 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.47 -43.58 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 119.171 0.896 . . . . 0.0 111.477 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.7 -50.54 68.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.425 1.011 . . . . 0.0 111.363 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -61.05 -44.08 97.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.762 1.625 . . . . 0.0 112.779 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.59 -48.12 80.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.577 1.551 . . . . 0.0 112.011 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.31 -46.33 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.383 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.52 -54.65 41.34 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.037 0.835 . . . . 0.0 111.487 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -57.91 -39.72 78.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.313 1.445 . . . . 0.0 113.21 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -82.2 -26.22 33.53 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 mm . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 124.304 1.042 . . . . 0.0 112.091 173.597 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 121.559 0.695 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -136.0 122.1 20.23 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.73 2.012 . . . . 0.0 109.584 -172.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.57 153.61 17.63 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.47 -0.769 . . . . 0.0 112.294 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -133.85 129.63 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.815 2.046 . . . . 0.0 108.645 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 64.6 p -140.15 141.03 36.09 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.524 1.13 . . . . 0.0 111.491 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -163.46 -178.78 6.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.979 1.312 . . . . 0.0 112.027 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -127.2 154.15 45.19 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.363 1.465 . . . . 0.0 112.213 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -134.74 167.36 20.99 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.4 2.28 . . . . 0.0 110.969 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.0 t -79.26 158.99 27.46 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.331 1.452 . . . . 0.0 111.373 168.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -44.78 79.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.496 1.119 . . . . 0.0 111.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.11 -46.72 61.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.715 0.806 . . . . 0.0 112.573 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.2 -36.63 77.47 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.254 -0.903 . . . . 0.0 111.803 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -65.7 -41.71 92.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.687 0.676 . . . . 0.0 112.086 171.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.57 -44.08 85.03 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.53 1.059 . . . . 0.0 112.816 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.76 -50.7 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.386 0.674 . . . . 0.0 111.133 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.12 -42.58 90.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.777 0.717 . . . . 0.0 112.081 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.44 -37.19 86.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.414 1.086 . . . . 0.0 112.812 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.1 -51.36 61.76 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.609 1.095 . . . . 0.0 111.499 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.67 -31.51 72.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.207 0.603 . . . . 0.0 112.348 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -59.13 4.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.035 0.934 . . . . 0.0 111.467 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.21 -25.34 32.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.25 1.42 . . . . 0.0 114.456 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -54.08 -25.67 23.02 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 169.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -154.26 -30.74 0.11 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.19 83.91 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 127.675 2.39 . . . . 0.0 108.385 -176.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.46 -18.53 29.41 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -68.02 91.25 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.704 1.202 . . . . 0.0 111.039 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.0 -42.41 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.774 1.229 . . . . 0.0 112.43 -172.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -65.99 -39.42 90.32 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.44 -0.788 . . . . 0.0 113.058 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -67.12 -41.1 86.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.928 0.785 . . . . 0.0 111.746 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.5 -45.44 84.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.36 -44.24 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.172 0.896 . . . . 0.0 111.594 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.19 -49.56 66.46 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.311 0.96 . . . . 0.0 111.071 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -60.91 -46.1 92.01 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.757 1.623 . . . . 0.0 112.735 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.6 -47.9 75.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.116 1.366 . . . . 0.0 112.471 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -65.18 -51.13 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 123.179 0.591 . . . . 0.0 110.012 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.23 -57.85 9.07 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.017 0.927 . . . . 0.0 111.582 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -65.08 -28.08 69.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.02 0.928 . . . . 0.0 113.467 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.2 m -77.65 -39.79 43.9 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.947 0.499 . . . . 0.0 111.854 174.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 mm . . . . . 0 N--CA 1.474 0.763 0 C-N-CA 124.245 1.018 . . . . 0.0 112.156 -179.825 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 p30 . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 121.813 0.816 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -134.06 111.41 10.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.553 1.941 . . . . 0.0 109.718 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.9 p -81.69 156.23 25.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -166.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.82 128.73 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.58 1.552 . . . . 0.0 108.726 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 p -142.79 141.06 31.6 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.166 0.986 . . . . 0.0 110.475 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -164.68 -176.02 4.09 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.041 1.336 . . . . 0.0 111.851 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -121.3 158.69 27.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.708 1.603 . . . . 0.0 112.051 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.78 172.31 13.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.225 2.21 . . . . 0.0 110.329 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.57 166.34 22.66 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 172.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -61.1 -52.33 65.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.643 0.777 . . . . 0.0 111.906 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.18 -35.89 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.763 0.825 . . . . 0.0 111.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.64 -49.97 75.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.195 0.998 . . . . 0.0 112.032 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -67.88 -36.41 80.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 119.091 -0.48 . . . . 0.0 111.995 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.84 -41.36 97.72 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.37 0.986 . . . . 0.0 113.392 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.87 -47.57 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.357 -0.839 . . . . 0.0 110.803 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.95 -35.6 75.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.021 0.828 . . . . 0.0 112.265 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -65.21 -37.78 88.37 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.954 1.252 . . . . 0.0 112.71 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.43 -50.91 67.95 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.593 1.542 . . . . 0.0 111.721 171.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.88 -37.17 73.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.33 1.052 . . . . 0.0 112.285 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.01 19.94 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.999 1.32 . . . . 0.0 112.074 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.93 -21.1 42.17 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.163 1.785 . . . . 0.0 114.141 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -48.28 -26.53 2.03 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 163.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.99 -37.77 0.1 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -151.51 92.47 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 127.53 2.332 . . . . 0.0 108.241 -174.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.56 -17.67 55.99 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 -165.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -70.18 101.36 1.85 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.837 1.255 . . . . 0.0 111.953 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.8 t -54.06 -39.53 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.55 1.14 . . . . 0.0 113.146 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -40.73 94.05 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.283 0.947 . . . . 0.0 113.233 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -66.98 -41.46 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.617 -0.677 . . . . 0.0 111.371 172.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.67 -46.01 88.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.417 0.687 . . . . 0.0 112.308 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.73 -44.25 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 111.371 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.85 -48.53 77.87 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.39 0.995 . . . . 0.0 112.098 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -62.58 -46.57 87.72 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.783 1.233 . . . . 0.0 111.843 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -52.25 -48.11 65.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.887 1.675 . . . . 0.0 112.139 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.81 -50.29 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.214 1.006 . . . . 0.0 110.935 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.31 -12.06 12.24 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -117.38 1.4 12.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.777 1.631 . . . . 0.0 114.299 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.71 -34.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 O-C-N 121.287 -0.883 . . . . 0.0 111.021 169.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 m120 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 121.68 0.752 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -113.16 120.42 41.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.3 1.84 . . . . 0.0 109.516 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.1 p -90.76 158.83 16.64 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.67 123.52 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.628 1.571 . . . . 0.0 108.462 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -143.99 116.23 8.47 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.317 1.047 . . . . 0.0 112.308 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.48 -169.46 3.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.655 1.182 . . . . 0.0 112.763 -173.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -132.37 153.37 50.84 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.558 1.543 . . . . 0.0 112.893 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.0 mt -133.89 178.46 6.93 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.343 2.257 . . . . 0.0 109.822 170.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -86.59 153.33 21.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 112.144 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -49.86 -53.62 24.6 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.283 1.433 . . . . 0.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.11 -40.37 78.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.785 0.434 . . . . 0.0 112.091 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.53 -49.87 75.82 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.27 1.028 . . . . 0.0 111.555 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.1 -43.51 98.68 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.592 0.757 . . . . 0.0 112.211 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.18 -49.79 74.88 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.798 0.839 . . . . 0.0 112.443 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.49 -46.02 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.273 0.629 . . . . 0.0 111.468 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.78 -36.76 85.35 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.949 0.795 . . . . 0.0 112.637 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -66.21 -38.99 89.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.897 1.279 . . . . 0.0 112.367 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -64.61 -43.41 93.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.203 1.001 . . . . 0.0 111.902 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.41 95.4 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.624 0.77 . . . . 0.0 111.811 173.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.96 76.11 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.473 0.709 . . . . 0.0 112.024 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.22 -32.63 66.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.454 1.102 . . . . 0.0 113.367 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -150.74 -7.89 0.27 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -169.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 83.8 t -137.05 -25.94 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.39 1.476 . . . . 0.0 113.359 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 68.36 -2.33 1.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.461 2.304 . . . . 0.0 116.559 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 57.9 m -141.19 123.23 15.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.345 1.458 . . . . 0.0 111.492 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.66 -41.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.624 0.77 . . . . 0.0 112.152 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -59.94 -49.78 76.33 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.564 0.62 . . . . 0.0 112.169 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.4 p -73.28 -33.32 65.17 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.517 0.727 . . . . 0.0 112.17 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.14 -50.59 73.46 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.164 0.893 . . . . 0.0 112.625 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.68 -40.93 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.789 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -52.71 -49.5 65.26 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.243 1.383 . . . . 0.0 112.403 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -60.23 -46.17 90.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.088 1.755 . . . . 0.0 112.592 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.81 -51.85 67.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.879 0.871 . . . . 0.0 112.389 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.86 -41.18 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.606 1.163 . . . . 0.0 111.317 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.96 -61.7 2.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.417 0.687 . . . . 0.0 110.803 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.57 -46.77 86.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.983 0.913 . . . . 0.0 113.079 -171.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -70.02 -31.4 69.03 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mm . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 123.757 0.823 . . . . 0.0 111.145 173.687 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.6 m120 . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.95 106.19 7.9 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.232 1.413 . . . . 0.0 110.206 -166.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 t -87.31 159.81 18.63 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -170.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.67 130.04 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 127.686 2.394 . . . . 0.0 108.506 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -144.41 118.77 9.61 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.478 1.111 . . . . 0.0 112.221 -169.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -152.94 -178.76 7.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.749 -1.219 . . . . 0.0 113.994 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -123.26 153.94 39.48 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.209 1.804 . . . . 0.0 112.877 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -141.45 171.83 13.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 128.859 2.864 . . . . 0.0 110.499 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -81.51 161.38 23.64 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.044 0.938 . . . . 0.0 111.886 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.99 -51.56 68.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.656 1.182 . . . . 0.0 113.099 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.09 -39.54 86.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.05 0.54 . . . . 0.0 111.651 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.55 -49.85 75.93 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.173 1.389 . . . . 0.0 112.057 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -63.85 -40.63 97.03 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.98 -39.09 88.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.701 0.8 . . . . 0.0 112.824 173.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.49 -46.63 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.486 -0.759 . . . . 0.0 111.27 170.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.41 -41.42 97.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.693 1.133 . . . . 0.0 112.638 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -56.8 -48.59 77.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.873 1.269 . . . . 0.0 111.756 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -62.29 -50.65 70.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.035 0.934 . . . . 0.0 111.936 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.46 -40.13 85.87 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.535 0.734 . . . . 0.0 112.291 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.31 70.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.053 0.541 . . . . 0.0 112.325 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.96 -35.66 73.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.135 0.974 . . . . 0.0 113.251 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.45 -13.65 62.22 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -136.83 -41.4 0.6 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -167.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -143.54 -0.42 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 125.378 1.471 . . . . 0.0 114.749 -166.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 72.1 -22.83 0.2 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.826 2.45 . . . . 0.0 116.286 174.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -137.79 138.23 39.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.294 1.406 . . . . 0.0 114.417 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.02 -35.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.841 0.856 . . . . 0.0 111.887 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -60.15 -44.51 94.91 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.238 0.926 . . . . 0.0 111.719 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.4 m -76.52 -35.16 58.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -55.0 -51.87 64.89 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.66 0.664 . . . . 0.0 111.985 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.1 -43.05 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.352 -0.833 . . . . 0.0 111.741 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -42.1 93.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.293 1.406 . . . . 0.0 112.043 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -68.1 -36.81 80.38 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.13 -48.59 75.92 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.439 1.018 . . . . 0.0 111.901 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.66 -47.49 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 110.9 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.34 -54.1 44.9 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.171 0.989 . . . . 0.0 111.008 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -56.18 -59.34 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.176 0.99 . . . . 0.0 111.681 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 t -71.34 -15.37 62.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.48 1.027 0 C-N-CA 124.559 1.144 . . . . 0.0 112.368 178.788 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 120.84 0.352 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -138.14 140.32 39.82 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.668 1.987 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -119.23 154.71 32.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -161.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -138.21 130.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.169 1.388 . . . . 0.0 109.294 -175.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p -143.36 132.86 23.53 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.747 1.219 . . . . 0.0 111.019 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -162.68 154.62 18.42 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.904 0.882 . . . . 0.0 113.207 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.65 152.06 30.19 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 168.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -130.52 176.0 8.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.181 2.592 . . . . 0.0 109.792 165.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 67.7 m -85.37 158.77 20.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.032 0.933 . . . . 0.0 112.311 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.59 -53.72 54.96 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.275 1.03 . . . . 0.0 113.375 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.06 -35.27 76.36 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.749 0.419 . . . . 0.0 112.008 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.45 -50.35 73.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.673 1.189 . . . . 0.0 111.883 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -63.89 -36.72 84.86 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.74 -0.6 . . . . 0.0 112.548 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -40.78 96.07 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.206 -0.934 . . . . 0.0 113.16 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.83 -46.97 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.782 170.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.24 -41.05 87.8 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.746 0.703 . . . . 0.0 112.203 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -59.94 -43.33 95.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.699 1.2 . . . . 0.0 112.135 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -65.76 -49.22 69.18 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.906 1.23 . . . . 0.0 112.805 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.93 -37.7 74.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.57 0.748 . . . . 0.0 112.334 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.1 34.87 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.661 1.184 . . . . 0.0 111.733 171.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.45 -22.2 61.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.58 1.952 . . . . 0.0 114.711 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.64 -19.23 5.67 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 164.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -140.86 -53.29 0.48 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.86 1.264 . . . . 0.0 113.92 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -152.84 100.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 127.998 2.519 . . . . 0.0 107.517 -175.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -61.24 -9.13 4.45 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 -170.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.3 m -63.6 86.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.41 1.884 . . . . 0.0 112.712 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -50.18 -43.99 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.223 1.409 . . . . 0.0 113.292 -174.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -63.83 -45.15 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 m -64.45 -42.21 96.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.736 0.814 . . . . 0.0 111.823 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.91 -48.24 82.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.486 1.114 . . . . 0.0 112.305 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.01 -42.76 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.122 0.969 . . . . 0.0 111.405 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.18 -48.73 75.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.062 0.846 . . . . 0.0 111.741 173.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -45.79 92.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.458 1.503 . . . . 0.0 111.732 176.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -56.68 -49.67 74.41 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.513 1.525 . . . . 0.0 112.776 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.94 -44.76 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.485 0.714 . . . . 0.0 110.821 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.78 -57.47 10.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.814 0.846 . . . . 0.0 110.903 173.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.14 -26.58 68.4 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.2 m -77.14 -23.83 51.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.69 0.796 . . . . 0.0 112.951 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 124.061 0.944 . . . . 0.0 112.534 -168.347 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 CA--C 1.534 0.348 0 CA-C-O 121.82 0.819 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -136.03 146.06 46.73 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.873 1.669 . . . . 0.0 110.027 -166.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.15 156.65 31.89 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -163.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.2 t -138.3 127.44 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.023 1.329 . . . . 0.0 109.048 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.3 p -142.06 137.3 30.96 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.754 1.222 . . . . 0.0 111.783 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -166.81 -173.28 2.35 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.33 1.452 . . . . 0.0 111.826 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.1 151.4 48.69 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.663 1.585 . . . . 0.0 112.514 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -133.73 172.57 12.59 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 127.015 2.126 . . . . 0.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -84.03 162.49 20.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.865 1.266 . . . . 0.0 111.721 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -55.26 -54.18 46.73 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.094 0.958 . . . . 0.0 112.833 -176.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.69 -34.63 72.18 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.0 -52.67 64.37 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.822 -0.549 . . . . 0.0 110.673 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -61.91 -38.63 89.12 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -60.89 -43.61 98.25 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.081 0.855 . . . . 0.0 113.065 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -62.84 -49.95 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.972 0.806 . . . . 0.0 110.94 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.87 -39.21 84.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.756 0.707 . . . . 0.0 111.86 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.19 -45.43 93.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.366 1.067 . . . . 0.0 112.205 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -62.51 -48.35 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.097 1.317 . . . . 0.0 111.856 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.64 -33.33 74.81 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.811 0.844 . . . . 0.0 112.318 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.68 -51.26 36.1 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.648 0.658 . . . . 0.0 112.186 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -59.68 -21.66 60.87 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 113.61 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -51.87 -34.58 41.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 167.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -162.77 -27.6 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.07 -31.24 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.048 1.339 . . . . 0.0 112.506 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 69.21 5.57 5.18 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.495 1.918 . . . . 0.0 115.759 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.4 p -152.1 133.29 14.37 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.953 -1.092 . . . . 0.0 113.535 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 m -61.69 -38.68 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -65.39 -49.93 67.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.763 0.71 . . . . 0.0 112.078 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -67.0 -36.76 82.86 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.118 0.567 . . . . 0.0 111.829 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.76 -52.94 62.96 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 173.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.67 -40.98 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.999 0.818 . . . . 0.0 111.318 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -49.98 -57.29 7.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.321 1.049 . . . . 0.0 111.614 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -64.06 -40.83 97.14 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.37 1.068 . . . . 0.0 112.601 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -56.13 -49.86 72.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.581 1.552 . . . . 0.0 112.222 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.32 -44.54 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.75 -49.14 76.13 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.778 0.717 . . . . 0.0 112.402 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -62.92 -32.71 74.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.2 m -76.43 -34.57 58.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.742 0.817 . . . . 0.0 112.948 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 123.892 0.877 . . . . 0.0 111.983 -169.419 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.76 108.78 11.03 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.482 . . . . 0.0 109.862 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.2 p -80.47 158.86 25.76 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -168.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.36 135.25 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.414 1.485 . . . . 0.0 108.68 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -154.25 122.76 6.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.549 1.14 . . . . 0.0 110.998 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -154.91 177.89 10.79 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.348 1.059 . . . . 0.0 113.471 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -126.6 152.19 46.96 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.926 1.691 . . . . 0.0 112.728 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -142.36 179.88 6.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.156 2.582 . . . . 0.0 110.409 -173.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -83.64 161.63 21.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.158 0.983 . . . . 0.0 111.8 170.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.52 -42.19 82.34 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.232 0.613 . . . . 0.0 112.014 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.27 -49.2 78.03 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.902 0.881 . . . . 0.0 111.714 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.52 -44.4 90.98 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.505 -0.747 . . . . 0.0 111.842 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -62.75 -39.53 94.45 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.78 -41.21 99.15 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.712 1.142 . . . . 0.0 113.266 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.81 -48.95 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.515 -0.741 . . . . 0.0 110.953 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.8 -38.53 91.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.026 0.83 . . . . 0.0 112.812 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.08 -53.04 61.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.888 1.275 . . . . 0.0 111.046 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.56 -49.16 74.53 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.406 0.682 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 35.0 tp -61.19 -37.27 82.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.33 1.052 . . . . 0.0 112.424 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.43 -55.02 10.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.969 0.907 . . . . 0.0 111.769 170.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.95 -24.4 37.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 114.707 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -50.67 -26.41 5.43 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 166.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -140.13 -35.9 0.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.83 97.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 127.929 2.492 . . . . 0.0 109.884 -172.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -53.44 -22.51 7.95 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 t -69.44 96.03 0.86 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.026 1.33 . . . . 0.0 111.9 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 86.3 t -57.59 -39.76 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.863 0.865 . . . . 0.0 111.802 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -63.57 -43.09 98.03 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.264 -0.897 . . . . 0.0 112.92 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -65.0 -43.77 91.45 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.883 0.765 . . . . 0.0 111.836 173.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -56.88 -50.04 73.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.817 0.847 . . . . 0.0 112.295 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.06 -41.84 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 118.753 0.706 . . . . 0.0 111.503 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.38 -52.22 64.26 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.372 0.987 . . . . 0.0 111.624 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -60.45 -42.57 96.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.529 1.132 . . . . 0.0 112.732 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -56.27 -47.53 78.39 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.443 1.497 . . . . 0.0 112.441 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.58 -50.76 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.165 0.986 . . . . 0.0 110.698 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -53.77 -51.8 62.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.069 0.547 . . . . 0.0 111.517 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.69 97.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.353 1.061 . . . . 0.0 112.982 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.1 m -72.76 -38.77 67.22 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.478 0.97 0 CA-C-N 119.201 0.909 . . . . 0.0 112.609 -178.253 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 122.059 0.933 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -141.08 146.54 37.27 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.451 2.3 . . . . 0.0 110.467 -167.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.53 157.9 26.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -138.21 126.29 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 108.948 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 p -143.01 127.97 18.42 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.673 1.189 . . . . 0.0 112.0 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -158.78 -174.62 4.86 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.509 1.124 . . . . 0.0 112.411 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.5 150.86 48.5 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.265 1.426 . . . . 0.0 112.682 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -131.54 171.93 12.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.484 2.314 . . . . 0.0 110.469 175.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.7 m -81.32 158.13 24.83 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.13 . . . . 0.0 111.196 173.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -56.6 -48.76 76.74 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.944 0.897 . . . . 0.0 113.178 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -39.21 84.76 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.058 0.543 . . . . 0.0 112.272 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.07 -53.37 58.63 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.625 0.77 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -61.8 -38.75 89.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.819 -0.551 . . . . 0.0 112.157 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.33 -41.58 96.71 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.031 0.932 . . . . 0.0 113.217 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.17 -46.36 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.041 -1.037 . . . . 0.0 111.161 171.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.57 -39.23 83.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.92 0.782 . . . . 0.0 111.898 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -62.29 -39.62 93.58 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.265 1.026 . . . . 0.0 112.462 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -66.55 -49.29 66.92 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.632 1.105 . . . . 0.0 112.147 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.61 -36.3 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.682 0.793 . . . . 0.0 111.969 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.83 -49.73 49.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.59 1.156 . . . . 0.0 112.331 170.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.64 -19.25 47.93 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.319 1.848 . . . . 0.0 114.263 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.8 -25.63 0.79 Allowed 'General case' 0 CA--C 1.557 1.217 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 160.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.4 -43.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.534 1.534 . . . . 0.0 114.129 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 p -168.58 109.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.7 2.4 . . . . 0.0 108.737 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.96 -11.62 3.6 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -56.96 93.87 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.306 1.842 . . . . 0.0 113.594 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.7 t -55.32 -41.27 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.764 1.226 . . . . 0.0 112.95 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.26 -42.24 93.44 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.7 m -65.69 -41.1 92.8 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.742 0.817 . . . . 0.0 111.867 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.79 -44.26 94.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.463 0.705 . . . . 0.0 112.168 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.89 -43.22 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.873 0.869 . . . . 0.0 111.675 173.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.77 -49.42 73.18 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.504 1.047 . . . . 0.0 111.555 173.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -62.14 -41.04 97.88 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.623 1.169 . . . . 0.0 112.724 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.92 -48.49 79.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.213 1.405 . . . . 0.0 112.485 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.4 mt -65.2 -45.2 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.774 0.83 . . . . 0.0 110.648 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.7 mt -56.44 -52.55 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.476 0.71 . . . . 0.0 112.056 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.15 -34.87 74.16 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.4 m -73.1 -29.43 62.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.729 0.812 . . . . 0.0 112.891 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 N--CA 1.48 1.045 0 C-N-CA 123.805 0.842 . . . . 0.0 113.006 -168.797 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 121.018 0.437 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -134.33 110.26 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.524 1.53 . . . . 0.0 109.851 -173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p -83.64 159.54 21.55 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -137.54 131.58 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.715 1.606 . . . . 0.0 108.332 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -152.05 121.83 6.99 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.225 1.01 . . . . 0.0 111.657 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -155.45 174.86 14.64 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.2 1.0 . . . . 0.0 113.292 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.96 151.22 45.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.791 1.636 . . . . 0.0 112.9 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 44.8 mt -140.08 178.23 7.42 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.912 2.885 . . . . 0.0 109.179 -175.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.4 p -83.68 162.59 20.68 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.71 -0.619 . . . . 0.0 112.305 171.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.35 -47.39 75.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 112.496 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.91 -38.97 79.92 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.21 0.604 . . . . 0.0 112.392 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.09 -45.79 90.45 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.474 -0.766 . . . . 0.0 111.722 172.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -63.62 -39.48 94.46 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.829 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -58.74 -44.54 90.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.575 1.079 . . . . 0.0 112.585 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.78 -51.0 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.383 -0.823 . . . . 0.0 111.077 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.1 mt -59.39 -40.15 85.66 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.569 0.622 . . . . 0.0 112.077 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.96 -42.8 99.93 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.994 1.718 . . . . 0.0 112.427 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -65.42 -51.17 62.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.774 0.83 . . . . 0.0 111.801 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.34 -34.75 74.27 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.482 0.713 . . . . 0.0 112.383 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -61.99 1.64 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.318 1.047 . . . . 0.0 111.35 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.37 -21.51 36.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.605 1.562 . . . . 0.0 114.798 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.94 -26.61 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 165.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.93 -22.0 0.19 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -148.84 93.17 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 128.017 2.527 . . . . 0.0 108.244 -172.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.68 -25.38 53.74 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.9 m -74.95 85.03 2.25 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.701 1.6 . . . . 0.0 111.987 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.18 -43.11 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.477 1.511 . . . . 0.0 113.109 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -65.6 -42.66 91.38 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -67.96 -35.61 78.68 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.913 0.885 . . . . 0.0 112.246 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.22 -49.35 78.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.768 0.827 . . . . 0.0 111.479 168.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.98 -44.28 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.163 0.892 . . . . 0.0 111.48 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.64 -51.23 63.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.117 0.967 . . . . 0.0 111.959 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -69.2 -33.54 73.5 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -57.71 -46.15 84.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.38 1.072 . . . . 0.0 112.229 170.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.0 mt -65.92 -45.74 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.657 0.783 . . . . 0.0 110.506 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -52.77 -53.43 48.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.511 0.596 . . . . 0.0 111.124 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.61 -4.74 4.45 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.5 p -124.9 8.85 8.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.439 1.496 . . . . 0.0 113.28 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 N--CA 1.477 0.902 0 C-N-CA 126.207 1.803 . . . . 0.0 111.564 176.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 121.223 0.535 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -125.36 102.52 7.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.45 1.9 . . . . 0.0 109.964 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.5 p -71.57 155.91 40.01 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -142.3 133.81 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.545 1.538 . . . . 0.0 109.147 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -143.57 138.73 29.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.686 1.194 . . . . 0.0 110.531 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -163.15 154.44 17.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -75.99 152.72 36.92 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.775 0.83 . . . . 0.0 112.806 168.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.67 175.61 9.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.925 2.49 . . . . 0.0 109.678 167.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -81.34 155.21 26.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.979 0.912 . . . . 0.0 111.53 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.12 -50.7 70.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.013 0.925 . . . . 0.0 113.195 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.79 -43.03 94.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.103 0.561 . . . . 0.0 111.794 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.42 -48.94 79.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.938 1.295 . . . . 0.0 112.39 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -59.61 -39.65 84.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.669 -0.645 . . . . 0.0 111.898 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.74 -44.41 81.56 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 m -66.27 -38.07 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 120.542 -1.349 . . . . 0.0 112.172 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.09 -37.13 86.5 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.585 -0.697 . . . . 0.0 111.635 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.56 -40.34 94.39 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.644 1.111 . . . . 0.0 112.507 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -65.17 -48.71 72.53 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 119.974 1.261 . . . . 0.0 111.981 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.85 -35.29 76.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.732 0.813 . . . . 0.0 112.312 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.36 31.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.29 1.036 . . . . 0.0 111.806 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.85 -24.99 55.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.994 1.718 . . . . 0.0 114.239 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -52.21 -26.38 11.55 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.76 -48.99 0.34 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -149.12 93.79 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 127.66 2.384 . . . . 0.0 107.995 -173.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.99 -20.47 53.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -164.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -68.76 106.44 2.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.508 1.123 . . . . 0.0 112.501 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 m -50.32 -38.51 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.786 1.234 . . . . 0.0 113.95 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -72.95 -39.32 66.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -63.74 -44.11 94.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.789 0.835 . . . . 0.0 111.313 170.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.03 -45.64 90.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.845 0.858 . . . . 0.0 112.54 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.24 -43.64 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.401 -0.812 . . . . 0.0 111.974 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -56.1 -45.44 79.43 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.75 -1.219 . . . . 0.0 111.587 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -64.1 -40.82 97.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.144 1.378 . . . . 0.0 113.245 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -56.74 -46.7 81.21 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.259 1.023 . . . . 0.0 112.196 171.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.63 -51.91 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.151 0.981 . . . . 0.0 110.683 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -39.9 92.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.697 0.681 . . . . 0.0 111.954 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.13 -37.13 86.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.872 0.869 . . . . 0.0 112.881 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -70.1 -31.98 69.8 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.134 0.974 . . . . 0.0 112.638 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mt . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 123.95 0.9 . . . . 0.0 113.293 -168.246 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 . . . . . 0 CA--C 1.541 0.621 0 CA-C-O 120.847 0.356 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.38 105.9 6.82 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.794 1.638 . . . . 0.0 110.718 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 33.1 t -88.59 159.13 18.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -168.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.98 132.64 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 127.089 2.156 . . . . 0.0 108.584 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -142.62 121.21 12.52 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.517 1.127 . . . . 0.0 112.475 -168.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -157.12 -171.45 3.64 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.487 1.115 . . . . 0.0 113.108 -170.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -127.59 144.68 51.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.319 1.448 . . . . 0.0 112.808 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 67.5 mt -119.44 170.88 8.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.607 1.963 . . . . 0.0 110.077 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -83.84 155.17 23.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.429 0.692 . . . . 0.0 111.531 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -51.42 -54.1 30.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.693 1.197 . . . . 0.0 114.224 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.22 -38.38 78.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.79 -50.42 74.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.958 1.303 . . . . 0.0 111.712 172.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.58 -43.78 98.23 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.887 0.875 . . . . 0.0 111.499 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.89 -40.6 96.89 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.51 -50.4 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.33 0.652 . . . . 0.0 111.079 172.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.71 -39.42 88.52 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.927 0.785 . . . . 0.0 112.007 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -67.53 -32.95 74.08 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.813 1.645 . . . . 0.0 113.439 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.84 -49.02 67.05 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.985 1.266 . . . . 0.0 111.495 169.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -59.9 -33.84 72.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.635 0.774 . . . . 0.0 112.213 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.81 24.05 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.189 0.996 . . . . 0.0 111.556 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.84 -24.64 52.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.843 1.657 . . . . 0.0 114.911 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -54.65 -18.89 5.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 167.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.65 -39.08 0.1 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -150.57 92.03 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 127.23 2.212 . . . . 0.0 110.008 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.28 -18.83 18.39 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.1 m -62.61 97.62 0.1 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.171 1.788 . . . . 0.0 113.149 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.91 -37.77 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -58.3 -52.87 63.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.082 0.856 . . . . 0.0 111.992 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 t -65.08 -45.87 83.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.262 1.025 . . . . 0.0 111.808 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.66 -48.23 81.78 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.43 -40.31 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.529 -0.732 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -53.03 -52.69 57.66 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.459 1.027 . . . . 0.0 111.696 170.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -57.48 -50.8 71.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.98 1.712 . . . . 0.0 112.137 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -53.8 -47.79 70.48 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.588 1.155 . . . . 0.0 112.515 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.9 mt -67.87 -45.98 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.743 0.817 . . . . 0.0 111.124 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.02 -51.02 70.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.924 0.89 . . . . 0.0 111.422 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.54 -25.7 68.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.231 1.013 . . . . 0.0 113.601 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 80.1 m -77.04 -40.75 45.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.439 0.696 . . . . 0.0 111.624 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 124.497 1.119 . . . . 0.0 112.095 178.765 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 121.211 0.529 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -127.53 142.04 51.49 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.435 1.894 . . . . 0.0 109.659 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -122.32 157.74 31.09 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.285 -0.884 . . . . 0.0 113.242 -164.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.8 t -139.69 123.94 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 109.2 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p -143.24 123.84 14.06 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.657 1.183 . . . . 0.0 112.427 -171.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.19 -172.79 3.9 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.769 1.227 . . . . 0.0 112.643 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.39 146.75 50.69 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.323 1.449 . . . . 0.0 112.553 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -127.52 171.56 11.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.065 2.146 . . . . 0.0 110.478 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -83.35 159.33 21.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.608 0.763 . . . . 0.0 112.132 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -51.91 -60.69 2.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.342 1.457 . . . . 0.0 113.373 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.86 -32.9 72.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.23 -50.81 71.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.626 1.17 . . . . 0.0 111.359 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -64.39 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.707 -0.663 . . . . 0.0 112.11 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.48 -43.01 97.42 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.572 1.078 . . . . 0.0 113.16 172.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.3 t -62.78 -47.99 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.067 0.849 . . . . 0.0 110.85 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.36 -40.29 85.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.49 0.586 . . . . 0.0 111.913 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -62.69 -44.71 95.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.153 1.381 . . . . 0.0 112.481 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.84 -49.59 75.68 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.279 0.945 . . . . 0.0 111.918 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.0 -31.45 72.36 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.89 61.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.802 0.728 . . . . 0.0 111.774 168.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -58.61 -27.48 64.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.805 1.242 . . . . 0.0 113.361 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.37 -32.53 70.22 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.14 -4.59 0.14 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.184 2.661 . . . . 0.0 118.184 -167.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.31 -32.21 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 125.844 1.658 . . . . 0.0 112.945 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.35 13.42 4.01 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.041 2.137 . . . . 0.0 116.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -139.58 90.32 2.4 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.169 1.788 . . . . 0.0 110.212 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 t -52.47 -46.39 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.846 1.258 . . . . 0.0 113.46 -165.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -66.5 -30.12 70.38 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.168 -0.957 . . . . 0.0 113.348 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -85.21 -29.25 24.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.904 0.882 . . . . 0.0 112.258 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.87 -46.37 90.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.03 0.932 . . . . 0.0 111.301 162.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.77 -43.05 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.521 -0.737 . . . . 0.0 111.516 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -53.4 26.54 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.482 1.037 . . . . 0.0 111.595 170.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -58.39 -47.06 85.08 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.516 0.726 . . . . 0.0 112.818 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -54.56 -49.18 70.96 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.496 1.119 . . . . 0.0 112.751 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.83 -53.38 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.297 0.639 . . . . 0.0 109.829 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -46.4 84.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.071 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -62.15 -47.22 85.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.871 0.76 . . . . 0.0 111.87 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.3 m -60.57 -39.43 87.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.477 0.884 0 CA-C-N 118.945 0.793 . . . . 0.0 111.807 175.153 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -122.62 106.66 11.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.901 1.681 . . . . 0.0 109.8 -172.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -75.98 159.11 31.19 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.65 131.08 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.881 1.672 . . . . 0.0 108.31 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.2 121.13 7.1 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.257 1.023 . . . . 0.0 111.066 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -154.12 177.97 10.49 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.243 1.017 . . . . 0.0 113.044 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.26 157.92 29.25 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.688 1.595 . . . . 0.0 112.803 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.0 mt -142.54 166.96 23.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.638 3.175 . . . . 0.0 109.924 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.5 t -76.79 153.3 35.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.039 164.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -49.53 -43.49 45.71 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.886 1.275 . . . . 0.0 112.806 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.59 -52.62 50.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.328 0.651 . . . . 0.0 112.183 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.21 -33.85 70.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.22 -0.925 . . . . 0.0 112.686 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.22 -42.75 99.59 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.725 -0.609 . . . . 0.0 111.545 169.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.41 -36.48 84.3 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.212 0.914 . . . . 0.0 113.329 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.63 -50.43 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.181 0.9 . . . . 0.0 110.876 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.34 -36.27 79.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.91 0.777 . . . . 0.0 112.292 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -64.32 -38.8 92.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.873 1.269 . . . . 0.0 112.826 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.72 -48.26 72.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.763 1.165 . . . . 0.0 111.618 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.15 -37.14 74.1 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 112.144 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -54.31 18.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.075 0.95 . . . . 0.0 112.064 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.82 -25.76 43.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.996 1.719 . . . . 0.0 114.296 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.82 -26.07 13.38 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 168.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.98 -45.05 0.34 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.0 91.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 127.935 2.494 . . . . 0.0 109.728 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.48 -17.78 15.25 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -168.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -66.37 86.92 0.11 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.24 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 t -48.66 -45.68 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 113.834 -168.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -67.47 -40.11 85.29 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.2 t -67.03 -41.02 87.31 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.098 0.959 . . . . 0.0 111.481 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.23 -49.93 72.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.907 0.883 . . . . 0.0 111.865 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.81 -45.7 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.892 0.769 . . . . 0.0 111.637 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -55.32 -51.29 67.2 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.132 0.973 . . . . 0.0 111.678 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -62.26 -41.03 98.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.827 1.251 . . . . 0.0 112.363 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -58.3 -49.06 78.5 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.676 1.59 . . . . 0.0 112.323 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.42 -45.63 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.557 0.743 . . . . 0.0 110.888 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.03 -56.23 19.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.699 0.8 . . . . 0.0 110.831 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.85 -36.84 80.15 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.628 1.171 . . . . 0.0 113.49 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 99.1 m -67.1 -29.99 69.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.909 . . . . 0.0 112.868 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.479 1.006 0 C-N-CA 123.826 0.85 . . . . 0.0 112.643 -168.643 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 120.878 0.371 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -139.57 79.12 1.7 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.141 1.776 . . . . 0.0 109.785 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -64.98 150.94 47.15 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.995 -1.066 . . . . 0.0 113.316 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.46 131.16 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 127.416 2.287 . . . . 0.0 108.305 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -141.07 143.58 34.44 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.468 1.107 . . . . 0.0 111.635 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -164.32 -177.7 5.07 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.208 1.403 . . . . 0.0 111.887 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -129.9 142.31 50.67 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.35 1.46 . . . . 0.0 111.98 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.07 170.9 11.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.047 2.139 . . . . 0.0 111.488 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.6 m -82.62 161.74 22.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.304 1.042 . . . . 0.0 112.209 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -58.82 -55.56 33.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.202 1.001 . . . . 0.0 112.925 -173.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -68.23 -38.03 81.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.14 0.976 . . . . 0.0 111.84 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.21 -52.71 64.45 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.83 1.252 . . . . 0.0 111.803 174.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.42 -38.37 89.73 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.875 -0.516 . . . . 0.0 112.196 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.67 -41.63 95.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.289 0.95 . . . . 0.0 113.076 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -63.04 -47.48 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.526 -0.734 . . . . 0.0 111.114 172.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.22 -42.57 86.55 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 0.0 111.777 174.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.55 -41.78 99.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.848 1.259 . . . . 0.0 112.334 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.46 -50.93 69.49 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.654 1.115 . . . . 0.0 111.678 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.6 -31.77 73.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.144 0.578 . . . . 0.0 112.435 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.84 -58.57 5.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.472 0.709 . . . . 0.0 111.467 168.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.0 -26.27 47.86 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.641 1.576 . . . . 0.0 114.454 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -55.85 -27.7 52.89 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 169.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -143.63 -42.58 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -173.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -146.15 85.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 127.954 2.501 . . . . 0.0 108.194 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -18.9 42.04 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.607 2.076 . . . . 0.0 116.607 -169.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -67.19 87.31 0.16 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.639 1.576 . . . . 0.0 111.808 173.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.86 -39.69 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.48 1.512 . . . . 0.0 112.698 -174.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -55.29 -52.27 63.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.307 1.043 . . . . 0.0 113.244 172.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -64.41 -44.21 91.99 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.401 1.08 . . . . 0.0 111.656 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.51 -50.05 70.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.837 0.855 . . . . 0.0 112.668 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.89 -42.99 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.593 -0.692 . . . . 0.0 111.3 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -53.36 -49.61 66.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.156 0.983 . . . . 0.0 112.086 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -62.81 -45.7 91.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.489 1.516 . . . . 0.0 112.036 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.49 -49.12 70.9 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.542 1.137 . . . . 0.0 112.784 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.54 -51.2 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.165 0.586 . . . . 0.0 109.962 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.52 -50.19 70.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.527 0.731 . . . . 0.0 111.605 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.6 m -80.53 -27.81 37.54 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.481 1.081 0 CA-C-N 119.164 0.893 . . . . 0.0 112.657 179.372 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.292 0.568 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.83 110.76 16.29 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.716 1.607 . . . . 0.0 109.994 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p -82.21 159.94 23.13 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -168.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -137.18 137.41 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.757 1.623 . . . . 0.0 108.63 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -155.57 125.76 6.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.37 1.068 . . . . 0.0 110.779 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -157.03 156.1 32.33 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.116 0.967 . . . . 0.0 112.638 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -81.19 138.69 35.82 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.532 -0.73 . . . . 0.0 112.127 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -110.54 -177.52 3.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.428 1.491 . . . . 0.0 109.363 154.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.3 t -121.4 174.0 7.02 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.762 1.625 . . . . 0.0 111.419 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.95 -47.62 74.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.636 1.574 . . . . 0.0 113.651 -162.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.37 -52.43 40.11 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -65.79 -35.88 81.94 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.326 -0.859 . . . . 0.0 112.555 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.06 -45.66 80.55 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 118.67 0.668 . . . . 0.0 111.147 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.75 -42.1 83.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.369 1.067 . . . . 0.0 112.743 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.38 -53.2 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.582 -0.699 . . . . 0.0 111.359 172.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.07 -36.11 80.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.82 0.736 . . . . 0.0 112.587 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.62 -43.45 98.77 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.963 1.705 . . . . 0.0 112.292 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -69.01 -44.66 72.32 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.696 0.798 . . . . 0.0 112.164 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.56 -35.9 77.17 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 175.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.59 -56.27 11.5 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.601 169.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.89 -27.55 31.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.345 1.458 . . . . 0.0 114.565 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.47 -25.41 25.12 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 170.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -141.22 -39.17 0.4 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.72 96.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 127.215 2.206 . . . . 0.0 109.241 -174.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.87 -14.57 15.86 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.6 t -67.48 88.64 0.21 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.07 1.348 . . . . 0.0 111.426 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.02 -37.4 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.299 1.04 . . . . 0.0 112.626 -172.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -61.75 -49.61 75.71 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -71.97 -33.08 67.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.336 0.971 . . . . 0.0 112.088 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -57.28 -48.77 78.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.028 0.931 . . . . 0.0 112.319 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.02 -44.84 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.51 0.724 . . . . 0.0 111.086 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.13 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.129 -0.982 . . . . 0.0 112.586 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -45.34 87.96 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.17 1.388 . . . . 0.0 111.754 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.84 -48.89 77.0 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.586 1.154 . . . . 0.0 112.369 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -65.17 -45.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.477 0.711 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.93 -51.75 67.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.254 1.022 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -60.55 -36.99 79.78 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.797 1.239 . . . . 0.0 113.025 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.5 m -68.29 -29.62 68.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.251 1.02 . . . . 0.0 112.948 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -166.721 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 121.487 0.66 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -140.96 149.24 41.56 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.489 1.915 . . . . 0.0 110.041 -165.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.75 157.22 30.15 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.615 -0.678 . . . . 0.0 112.657 -165.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.4 t -139.4 131.66 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.245 1.418 . . . . 0.0 109.376 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 p -141.24 143.3 34.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.735 1.214 . . . . 0.0 111.123 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -165.44 -174.48 3.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.465 1.506 . . . . 0.0 111.473 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -125.23 146.18 49.64 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.811 1.244 . . . . 0.0 112.638 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.9 mt -122.77 160.47 25.89 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.06 1.744 . . . . 0.0 111.097 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 p -71.18 158.2 36.84 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.896 166.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.55 -41.6 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.771 -0.581 . . . . 0.0 111.994 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.26 -49.74 53.37 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.872 0.869 . . . . 0.0 112.546 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.75 -34.38 69.45 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.283 -0.886 . . . . 0.0 112.037 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -64.13 -43.62 94.68 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.538 171.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.43 -43.96 96.27 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.665 1.121 . . . . 0.0 112.648 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.93 -48.77 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.883 0.765 . . . . 0.0 111.262 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.9 -37.34 85.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.47 -38.51 91.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.059 1.344 . . . . 0.0 112.426 174.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -64.67 -49.95 68.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.896 1.279 . . . . 0.0 111.14 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -37.73 84.16 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.488 0.715 . . . . 0.0 111.98 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.8 68.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.977 0.911 . . . . 0.0 111.853 171.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.71 -31.72 64.77 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.458 1.026 . . . . 0.0 113.499 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.32 -8.66 19.19 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 170.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -141.14 -56.45 0.49 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.67 1.577 . . . . 0.0 114.475 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.72 94.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.98 2.912 . . . . 0.0 108.68 -173.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -10.37 8.89 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 -167.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -64.07 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.761 2.024 . . . . 0.0 112.633 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -47.17 -46.86 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 125.652 1.581 . . . . 0.0 114.406 -167.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -67.16 -33.05 74.59 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.959 -1.088 . . . . 0.0 113.366 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -73.34 -40.06 64.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 111.273 173.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -56.77 -45.97 81.78 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.654 0.781 . . . . 0.0 112.013 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -44.81 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.389 -0.82 . . . . 0.0 111.204 175.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -55.4 -46.86 76.56 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.386 0.994 . . . . 0.0 112.235 172.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -60.06 -47.45 85.82 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.666 1.587 . . . . 0.0 111.636 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -54.55 -46.72 73.7 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.524 1.53 . . . . 0.0 112.7 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.05 -48.21 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 123.605 0.762 . . . . 0.0 110.039 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tt -50.81 -59.16 4.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.874 0.87 . . . . 0.0 110.95 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -3.66 3.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 m -110.38 -10.97 14.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.144 1.378 . . . . 0.0 112.536 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 124.696 1.199 . . . . 0.0 112.508 176.435 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -128.15 104.3 7.68 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.764 1.625 . . . . 0.0 109.602 -170.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -74.8 160.87 30.16 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.03 136.42 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.717 1.607 . . . . 0.0 108.789 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.47 123.41 6.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 111.016 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -154.57 178.84 9.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.688 1.195 . . . . 0.0 112.932 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.45 150.51 50.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.603 1.561 . . . . 0.0 112.374 -172.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.06 177.22 8.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.749 2.819 . . . . 0.0 110.911 -169.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -92.1 158.08 16.39 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.388 1.075 . . . . 0.0 112.26 169.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.34 -51.47 68.14 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.351 1.06 . . . . 0.0 113.69 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -65.56 -40.11 92.43 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.627 0.771 . . . . 0.0 111.802 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -59.74 -49.39 77.9 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.099 1.36 . . . . 0.0 111.994 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.33 -44.15 97.17 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.922 -0.561 . . . . 0.0 111.424 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.45 -38.11 83.13 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.173 0.897 . . . . 0.0 113.386 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.68 -49.89 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.215 -0.928 . . . . 0.0 111.004 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.61 -37.31 80.99 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.137 0.88 . . . . 0.0 112.556 175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.4 -41.87 96.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.618 1.967 . . . . 0.0 112.378 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.82 -47.36 75.3 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.773 0.715 . . . . 0.0 111.468 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.2 -36.31 77.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.401 0.681 . . . . 0.0 112.095 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.81 -57.04 9.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.742 0.817 . . . . 0.0 111.51 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.92 -28.37 36.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.11 -20.97 60.86 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.496 1.518 . . . . 0.0 114.785 173.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -144.31 -45.37 0.25 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.2 91.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 128.273 2.629 . . . . 0.0 109.261 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -58.87 -20.2 48.95 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.1 m -66.84 92.87 0.24 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.615 1.566 . . . . 0.0 111.603 173.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.42 -39.66 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 125.039 1.336 . . . . 0.0 113.0 -172.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -57.28 -51.17 70.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.81 0.844 . . . . 0.0 113.001 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -64.89 -42.33 94.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.675 1.19 . . . . 0.0 111.835 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.67 -50.59 71.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 112.43 174.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.11 -43.27 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.735 0.698 . . . . 0.0 111.238 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.75 -50.03 69.39 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.289 0.949 . . . . 0.0 111.433 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.04 -43.56 98.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.195 1.398 . . . . 0.0 112.623 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -56.3 -47.63 78.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.135 1.374 . . . . 0.0 112.193 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.0 mt -65.71 -49.49 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tt -54.45 -50.96 66.46 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.508 0.723 . . . . 0.0 111.007 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -58.84 -40.75 85.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.332 1.053 . . . . 0.0 113.02 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.3 m -76.05 -27.07 57.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 119.568 1.076 . . . . 0.0 112.73 179.759 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -125.27 107.29 10.57 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.368 1.467 . . . . 0.0 110.151 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 p -78.94 159.84 27.52 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -169.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -138.03 134.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.48 1.512 . . . . 0.0 108.428 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -152.98 122.27 6.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.148 0.979 . . . . 0.0 111.189 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -155.54 -177.37 6.5 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.911 1.285 . . . . 0.0 112.425 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -122.94 152.85 40.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.363 1.465 . . . . 0.0 112.566 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -133.67 177.18 7.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.551 2.74 . . . . 0.0 109.19 173.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -105.82 168.95 8.77 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.632 1.173 . . . . 0.0 111.438 170.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -56.95 -42.97 81.03 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.913 1.285 . . . . 0.0 113.413 -166.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.82 -54.62 24.45 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.501 0.591 . . . . 0.0 112.554 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pm0 -63.95 -37.2 86.53 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.155 -0.966 . . . . 0.0 112.549 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -66.24 -41.55 89.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.114 0.87 . . . . 0.0 111.92 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.15 -42.26 94.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.334 1.054 . . . . 0.0 112.721 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.11 -50.34 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.342 0.657 . . . . 0.0 111.216 173.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.78 -42.61 97.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.845 0.748 . . . . 0.0 112.004 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -58.98 -47.01 86.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.144 1.378 . . . . 0.0 112.368 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -69.66 -43.97 71.47 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.772 0.715 . . . . 0.0 112.16 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.59 -32.15 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.277 0.631 . . . . 0.0 112.33 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 0.0 112.35 167.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.27 -31.59 65.74 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.314 1.046 . . . . 0.0 113.503 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.76 -21.46 65.85 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.5 -13.8 0.13 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 -169.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -135.92 -27.83 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 125.553 1.541 . . . . 0.0 113.118 -174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 65.17 0.5 1.3 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.841 2.164 . . . . 0.0 116.841 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.3 m -138.73 110.06 6.94 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.709 1.604 . . . . 0.0 110.235 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.13 -38.92 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.946 0.899 . . . . 0.0 112.787 -168.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -59.97 -49.51 77.4 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.385 -0.822 . . . . 0.0 112.699 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.16 -41.36 99.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.626 1.17 . . . . 0.0 111.539 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.09 -48.04 83.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.554 0.742 . . . . 0.0 112.382 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.37 -45.54 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 119.312 0.96 . . . . 0.0 111.802 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -38.66 87.92 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 120.588 1.54 . . . . 0.0 112.684 174.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.37 -40.67 93.82 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.984 1.314 . . . . 0.0 112.596 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -58.72 -48.97 79.32 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.592 1.557 . . . . 0.0 112.193 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.07 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.476 0.711 . . . . 0.0 110.743 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.5 -57.79 10.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.9 0.88 . . . . 0.0 111.25 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.17 -36.18 74.86 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.961 1.304 . . . . 0.0 113.538 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.0 m -68.15 -23.49 64.89 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.948 0.899 . . . . 0.0 113.073 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.479 0.978 0 C-N-CA 124.137 0.975 . . . . 0.0 112.449 -168.005 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -125.16 98.03 5.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.75 1.22 . . . . 0.0 110.135 -169.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.3 p -78.09 159.45 28.66 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.1 t -141.91 125.95 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.726 1.611 . . . . 0.0 108.844 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.4 p -143.01 137.0 29.0 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.466 1.106 . . . . 0.0 111.5 -176.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -165.62 -174.81 3.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.119 1.368 . . . . 0.0 112.187 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -126.06 152.68 45.49 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.662 1.585 . . . . 0.0 112.289 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -133.81 170.71 15.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.477 2.311 . . . . 0.0 110.326 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.7 t -78.76 158.74 28.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.568 0.747 . . . . 0.0 111.879 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.24 -52.05 67.35 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.717 1.207 . . . . 0.0 112.914 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.81 -37.76 79.44 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.863 0.465 . . . . 0.0 111.791 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.17 -51.94 67.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.93 1.292 . . . . 0.0 111.968 172.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.98 -38.44 91.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.292 0.637 . . . . 0.0 112.036 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.88 -39.26 93.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.7 -46.34 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.252 -0.905 . . . . 0.0 110.986 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.74 -40.05 86.79 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.533 0.606 . . . . 0.0 111.877 173.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.53 -40.47 97.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.378 . . . . 0.0 112.851 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.02 -47.29 80.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.279 0.945 . . . . 0.0 111.735 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -37.54 87.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.013 0.525 . . . . 0.0 111.682 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.14 82.7 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.949 0.899 . . . . 0.0 111.944 170.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.88 -32.38 69.44 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.037 -1.664 . . . . 0.0 113.082 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -66.24 -25.55 66.95 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -159.92 92.37 1.01 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.033 1.733 . . . . 0.0 113.094 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 t 70.61 85.7 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 127.155 2.182 . . . . 0.0 112.991 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -51.89 -30.59 24.74 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -170.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.5 m -60.06 92.62 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.581 1.552 . . . . 0.0 112.764 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.9 -41.32 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.997 1.319 . . . . 0.0 113.349 -166.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -64.9 -41.73 95.35 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.389 -0.819 . . . . 0.0 113.033 176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -70.68 -35.27 72.73 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.867 0.867 . . . . 0.0 112.056 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.71 -48.02 83.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.16 0.984 . . . . 0.0 112.04 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.32 -43.91 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.356 -0.84 . . . . 0.0 111.687 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -51.23 -51.7 51.49 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.354 1.062 . . . . 0.0 111.691 170.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -62.72 -42.89 99.88 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 112.565 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -55.18 -48.04 74.35 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.832 1.253 . . . . 0.0 112.405 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -46.66 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 mt -55.67 -50.29 70.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.318 0.647 . . . . 0.0 111.929 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.79 -38.04 83.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.773 0.829 . . . . 0.0 112.979 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.2 m -74.18 -32.7 63.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.805 0.842 . . . . 0.0 112.965 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 123.927 0.891 . . . . 0.0 113.265 -166.497 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 CA--C 1.542 0.64 0 CA-C-O 120.887 0.375 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.94 138.62 40.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.7 1.6 . . . . 0.0 109.456 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -119.46 155.86 31.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -162.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -136.57 124.77 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.196 1.398 . . . . 0.0 108.794 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -143.63 125.62 15.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.419 1.087 . . . . 0.0 111.375 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.89 -174.88 4.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.621 1.169 . . . . 0.0 112.649 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -130.69 152.11 50.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.687 1.595 . . . . 0.0 112.923 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.28 172.63 12.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.549 2.34 . . . . 0.0 110.638 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -77.01 158.02 30.83 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.214 1.005 . . . . 0.0 111.726 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.74 -47.5 82.27 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.626 1.17 . . . . 0.0 112.944 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.03 -42.32 80.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.995 0.518 . . . . 0.0 111.734 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -58.58 -49.9 75.76 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.48 0.712 . . . . 0.0 111.552 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.38 -40.17 96.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.171 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.87 -37.98 89.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.563 1.074 . . . . 0.0 113.253 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -62.05 -48.3 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 121.391 -0.818 . . . . 0.0 111.053 171.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.09 -41.02 91.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.704 0.684 . . . . 0.0 112.003 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -45.29 91.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.454 1.502 . . . . 0.0 112.408 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -65.11 -51.43 61.36 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.507 1.049 . . . . 0.0 111.315 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.2 tp -58.0 -37.85 75.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.27 1.028 . . . . 0.0 112.277 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -58.32 5.54 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.871 1.268 . . . . 0.0 111.555 170.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -54.98 -26.59 37.74 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.305 1.442 . . . . 0.0 114.824 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -55.16 -19.97 9.12 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 167.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -143.18 -33.01 0.45 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.1 t -148.6 95.21 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 128.259 2.624 . . . . 0.0 108.25 -169.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.87 -35.15 31.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.041 1.336 . . . . 0.0 114.141 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 m -69.74 86.67 0.49 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.631 1.572 . . . . 0.0 112.521 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.44 -43.6 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.996 1.718 . . . . 0.0 113.107 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -64.59 -39.23 93.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -73.1 -33.72 65.75 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.418 -0.801 . . . . 0.0 112.056 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -58.62 -46.06 87.89 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.935 -1.103 . . . . 0.0 111.831 166.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.16 -45.39 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.469 -0.769 . . . . 0.0 111.601 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -51.47 -50.91 58.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.176 0.99 . . . . 0.0 111.712 171.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.51 -43.52 98.72 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.213 1.405 . . . . 0.0 112.659 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.75 -47.25 77.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.82 1.248 . . . . 0.0 112.505 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.38 -51.04 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.118 0.567 . . . . 0.0 109.969 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.72 -51.54 62.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.392 0.677 . . . . 0.0 111.925 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -35.33 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.153 1.381 . . . . 0.0 113.254 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 m -81.6 -38.39 26.13 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.691 0.796 . . . . 0.0 112.563 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mm . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 124.551 1.14 . . . . 0.0 112.77 -172.008 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 . . . . . 0 CA--C 1.54 0.583 0 CA-C-O 121.407 0.622 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.14 112.09 16.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.906 1.683 . . . . 0.0 110.333 -173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 18.2 p -87.25 159.2 18.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -166.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.64 123.57 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.336 1.454 . . . . 0.0 108.437 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.5 p -143.69 125.31 14.95 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.321 1.048 . . . . 0.0 111.673 -171.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.44 -178.51 7.19 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.227 1.011 . . . . 0.0 113.259 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -123.96 155.22 38.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.102 1.761 . . . . 0.0 112.961 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.5 mt -143.05 174.35 10.76 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 128.915 2.886 . . . . 0.0 110.343 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -84.23 158.8 21.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.789 1.236 . . . . 0.0 111.703 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.29 -48.69 76.14 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.31 1.044 . . . . 0.0 113.516 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.41 -38.44 81.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.939 0.496 . . . . 0.0 112.26 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -62.42 -49.02 77.13 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.672 -0.642 . . . . 0.0 111.456 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -63.01 -38.17 90.13 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.983 -0.448 . . . . 0.0 112.16 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.19 -43.13 96.13 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.874 0.761 . . . . 0.0 112.534 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.82 -46.83 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.31 0.959 . . . . 0.0 111.54 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.29 -44.14 95.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.409 1.004 . . . . 0.0 111.961 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -60.7 -41.54 95.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 112.514 175.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -64.81 -49.6 70.0 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.176 1.39 . . . . 0.0 111.75 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.39 -34.68 77.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.061 0.945 . . . . 0.0 112.298 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.14 20.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.39 0.676 . . . . 0.0 111.755 170.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.47 -24.9 48.91 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.514 1.925 . . . . 0.0 114.39 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.6 -21.45 2.58 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 166.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -136.14 -50.47 0.7 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.556 1.542 . . . . 0.0 113.503 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.58 108.36 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.568 2.747 . . . . 0.0 108.653 -175.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.01 71.3 0.09 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.205 1.802 . . . . 0.0 113.685 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.4 m -143.39 74.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.281 2.232 . . . . 0.0 110.199 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.86 -38.41 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.531 1.132 . . . . 0.0 113.162 -172.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -56.83 -52.99 62.91 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.017 0.927 . . . . 0.0 113.079 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.8 t -65.79 -42.21 91.01 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.544 1.138 . . . . 0.0 111.66 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -56.78 -50.83 71.13 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.547 1.139 . . . . 0.0 112.158 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.67 -43.05 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.533 0.606 . . . . 0.0 111.408 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.74 -54.69 34.49 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.97 0.805 . . . . 0.0 112.004 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -68.46 -34.14 75.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -54.07 -48.51 70.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.35 1.06 . . . . 0.0 111.842 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.34 -48.08 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.357 0.663 . . . . 0.0 110.679 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.24 -14.72 52.49 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -110.47 10.47 23.23 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.696 1.998 . . . . 0.0 113.359 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -131.47 -39.26 1.15 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.278 1.031 . . . . 0.0 113.549 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 N--CA 1.479 0.991 0 C-N-CA 124.245 1.018 . . . . 0.0 111.304 168.131 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -129.29 111.06 12.48 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.027 1.731 . . . . 0.0 109.727 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 p -81.85 158.09 24.16 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -166.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.85 125.93 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.612 1.565 . . . . 0.0 108.833 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 p -143.69 121.12 11.67 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.192 0.997 . . . . 0.0 111.838 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.91 -172.17 4.1 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.345 1.058 . . . . 0.0 112.697 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.84 151.55 48.18 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.729 1.612 . . . . 0.0 112.718 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.68 173.81 10.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.375 2.27 . . . . 0.0 110.217 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -82.05 156.54 24.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.115 0.966 . . . . 0.0 111.748 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -55.48 -52.81 62.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.292 1.037 . . . . 0.0 113.568 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.72 -40.84 88.57 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.98 0.512 . . . . 0.0 112.049 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -58.41 -52.12 66.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.103 0.961 . . . . 0.0 111.763 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -62.22 -40.87 97.54 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.018 0.527 . . . . 0.0 111.999 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -42.15 98.82 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.6 -48.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.228 -0.92 . . . . 0.0 110.836 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.29 -35.14 76.51 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.714 -0.616 . . . . 0.0 112.224 175.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -63.93 -43.73 95.02 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.334 1.454 . . . . 0.0 112.555 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -66.14 -44.45 84.14 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.16 0.891 . . . . 0.0 111.847 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.69 -37.08 80.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.02 0.528 . . . . 0.0 112.348 173.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.37 76.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.791 0.837 . . . . 0.0 112.625 172.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.96 -33.31 71.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.694 1.134 . . . . 0.0 112.516 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.99 -10.6 58.31 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 171.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -136.46 -48.4 0.64 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -165.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -142.25 -7.82 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.843 1.657 . . . . 0.0 114.879 -169.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 69.93 6.21 5.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.6 p -147.56 133.81 19.48 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.895 -1.128 . . . . 0.0 113.355 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -69.05 -38.85 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.915 0.886 . . . . 0.0 112.265 -169.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -68.39 -38.11 81.01 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 112.671 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.418 0.687 . . . . 0.0 111.489 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.87 -42.76 90.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.773 0.829 . . . . 0.0 112.876 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -43.21 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 121.323 -0.861 . . . . 0.0 111.969 172.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.65 -40.66 92.82 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.816 -1.178 . . . . 0.0 111.643 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.56 -44.76 95.53 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.246 1.418 . . . . 0.0 112.583 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -54.63 -40.84 69.37 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.351 1.061 . . . . 0.0 112.289 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -68.83 -43.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.058 -1.026 . . . . 0.0 110.99 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.54 -8.63 14.62 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.93 -24.64 13.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.921 1.688 . . . . 0.0 114.431 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -128.36 -10.02 5.2 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -168.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 126.818 2.047 . . . . 0.0 110.682 173.042 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.18 109.1 12.45 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.379 1.472 . . . . 0.0 110.14 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 25.5 p -82.87 158.09 22.83 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -166.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -140.42 122.42 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 108.532 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.8 p -142.97 121.7 12.61 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.19 0.996 . . . . 0.0 112.113 -170.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -157.1 -173.24 4.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -129.33 148.71 51.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.601 1.56 . . . . 0.0 112.532 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -127.9 172.78 10.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.617 2.367 . . . . 0.0 110.666 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -80.15 160.93 25.52 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.963 0.905 . . . . 0.0 111.871 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.55 -52.48 64.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.282 1.033 . . . . 0.0 112.9 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.53 -40.01 85.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.852 0.461 . . . . 0.0 111.53 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.06 -53.4 57.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.936 1.294 . . . . 0.0 111.9 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.48 -38.1 88.78 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.341 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.84 -42.97 99.95 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.798 1.181 . . . . 0.0 113.14 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.78 -46.79 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.495 -0.753 . . . . 0.0 110.718 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.24 -39.13 85.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.686 0.675 . . . . 0.0 112.304 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.61 -40.78 98.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.917 1.287 . . . . 0.0 112.288 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -63.71 -51.65 64.07 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.146 0.978 . . . . 0.0 111.816 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -32.56 74.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.586 0.754 . . . . 0.0 112.482 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -55.45 14.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.064 0.946 . . . . 0.0 111.47 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.83 -27.77 44.7 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.512 1.525 . . . . 0.0 114.219 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.03 -26.08 24.6 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -143.2 -44.16 0.29 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -147.07 88.36 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.133 2.573 . . . . 0.0 109.645 -174.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.18 -16.12 12.35 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -170.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -65.94 84.5 0.08 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.113 1.765 . . . . 0.0 112.001 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -51.8 -39.68 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.429 1.492 . . . . 0.0 113.172 -174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -62.89 -42.1 99.65 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 175.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -66.14 -42.68 88.78 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.242 1.017 . . . . 0.0 111.426 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.3 -46.33 79.83 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.885 0.874 . . . . 0.0 112.548 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.88 -44.99 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.404 -0.81 . . . . 0.0 111.648 174.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.64 -44.16 72.96 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 0.0 112.39 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -65.2 -44.52 88.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.56 1.544 . . . . 0.0 112.349 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -53.99 -49.57 68.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.692 0.797 . . . . 0.0 111.862 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.84 -51.71 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.642 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 51.0 tp -54.91 -53.57 53.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.152 0.981 . . . . 0.0 111.847 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.34 -37.72 88.38 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 58.3 m -70.86 -37.76 73.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.316 0.646 . . . . 0.0 112.209 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.6 mt . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 173.805 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 121.775 0.798 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -141.87 147.06 36.53 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.646 1.978 . . . . 0.0 109.887 -165.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.04 157.34 26.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -164.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -137.65 125.07 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.082 1.353 . . . . 0.0 109.09 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -141.68 126.6 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.641 1.176 . . . . 0.0 111.895 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -158.25 -173.4 4.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.603 1.161 . . . . 0.0 112.13 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.93 152.51 45.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.478 1.511 . . . . 0.0 112.069 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.81 173.8 10.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.965 2.106 . . . . 0.0 110.022 172.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -81.15 157.7 25.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.952 0.901 . . . . 0.0 111.589 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.71 -49.72 74.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.073 0.949 . . . . 0.0 113.198 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.99 -42.04 94.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.429 0.692 . . . . 0.0 111.632 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.31 -48.0 81.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.406 1.082 . . . . 0.0 112.242 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.06 -39.77 94.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.029 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.74 -45.27 92.69 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.668 1.122 . . . . 0.0 112.997 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.83 -52.01 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.243 0.617 . . . . 0.0 110.85 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.14 -34.24 77.19 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 112.796 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.47 -41.78 96.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.286 1.434 . . . . 0.0 112.438 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.9 ttp-105 -68.91 -45.33 71.15 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.035 0.934 . . . . 0.0 112.572 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.49 -36.09 77.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.756 0.822 . . . . 0.0 112.34 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.32 31.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.016 0.926 . . . . 0.0 111.71 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -54.88 -27.28 41.5 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 114.255 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -54.26 -25.63 24.47 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 169.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -142.58 -45.19 0.32 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.18 87.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 127.858 2.463 . . . . 0.0 109.833 -173.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.78 -18.23 11.97 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -169.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -66.08 86.8 0.1 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.629 1.572 . . . . 0.0 112.073 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.33 -41.3 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 125.302 1.441 . . . . 0.0 113.687 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -67.46 -31.48 71.68 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.015 -1.053 . . . . 0.0 113.203 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 t -75.84 -33.38 60.04 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.801 0.84 . . . . 0.0 111.614 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.65 -40.64 95.64 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.007 -1.058 . . . . 0.0 112.264 167.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.9 -43.09 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.43 -46.49 76.69 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.158 -0.964 . . . . 0.0 111.926 172.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.53 -47.58 84.99 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.893 1.277 . . . . 0.0 112.072 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -51.79 -44.9 63.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.359 1.064 . . . . 0.0 112.261 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.48 -49.17 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.737 0.815 . . . . 0.0 111.165 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.37 -12.31 13.65 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.388 1.475 . . . . 0.0 114.718 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -119.09 9.04 11.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.213 1.805 . . . . 0.0 114.13 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -137.25 -41.36 0.57 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 N--CA 1.481 1.104 0 CA-C-N 119.242 0.928 . . . . 0.0 110.421 169.703 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -128.26 108.06 10.29 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.367 1.467 . . . . 0.0 109.949 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -80.36 158.7 25.96 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -166.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -138.75 128.76 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.975 1.71 . . . . 0.0 108.193 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.5 119.62 6.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.052 0.941 . . . . 0.0 111.761 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -153.56 178.75 9.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.529 1.132 . . . . 0.0 113.131 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -126.38 151.03 48.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.654 1.581 . . . . 0.0 112.605 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -138.91 -174.21 3.78 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 128.758 2.823 . . . . 0.0 109.795 -177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -101.2 158.35 16.09 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.898 1.279 . . . . 0.0 111.699 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.63 -53.53 55.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.652 0.781 . . . . 0.0 112.645 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.63 -38.33 87.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.981 0.512 . . . . 0.0 112.237 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.91 -50.13 72.08 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.487 0.715 . . . . 0.0 112.051 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -63.39 -36.97 85.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.595 0.634 . . . . 0.0 112.29 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.9 -50.58 72.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.588 1.555 . . . . 0.0 111.657 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -59.78 -44.43 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 121.324 -0.86 . . . . 0.0 111.686 174.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.06 -39.24 77.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.93 0.786 . . . . 0.0 111.579 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 117.453 -1.26 . . . . 0.0 112.831 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -63.5 -49.55 73.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 121.081 1.764 . . . . 0.0 111.834 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.41 -33.06 74.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.393 0.677 . . . . 0.0 112.181 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -53.22 32.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.564 0.745 . . . . 0.0 111.739 168.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -22.83 52.43 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.439 1.896 . . . . 0.0 114.269 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -50.77 -23.38 2.68 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 164.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.61 -44.85 0.54 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.422 1.489 . . . . 0.0 114.073 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -167.93 108.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 128.023 2.529 . . . . 0.0 108.521 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.32 -12.77 9.97 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -167.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -58.09 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.326 1.851 . . . . 0.0 113.048 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.78 -42.1 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.399 1.08 . . . . 0.0 112.992 -167.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.9 -44.31 73.45 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 79.4 p -72.2 -31.22 65.68 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.108 0.867 . . . . 0.0 112.203 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -58.34 -49.27 77.81 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.787 0.835 . . . . 0.0 112.114 166.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.73 -44.34 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.47 -0.769 . . . . 0.0 111.401 175.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -53.73 -49.93 67.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.259 0.936 . . . . 0.0 111.839 172.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -62.25 -42.22 99.13 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.009 1.324 . . . . 0.0 112.575 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -57.1 -49.37 76.09 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.868 0.867 . . . . 0.0 112.329 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.13 -48.83 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.076 0.951 . . . . 0.0 110.76 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.44 -53.92 44.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.881 1.273 . . . . 0.0 111.606 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.53 -30.09 71.26 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.41 1.484 . . . . 0.0 113.724 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.2 m -73.11 -41.83 63.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.203 0.601 . . . . 0.0 111.756 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.11 0.564 . . . . 0.0 112.054 -172.084 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 . . . . . 0 CA--C 1.54 0.57 0 CA-C-O 121.388 0.613 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -120.33 110.09 16.13 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.544 1.937 . . . . 0.0 109.519 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 p -74.98 156.89 35.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -138.04 132.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.383 1.473 . . . . 0.0 108.733 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -154.88 126.26 7.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.471 1.108 . . . . 0.0 110.652 -172.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -158.77 162.01 37.04 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.935 0.894 . . . . 0.0 112.798 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.67 140.96 29.05 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 112.379 170.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.0 mt -117.75 -178.51 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.939 2.096 . . . . 0.0 109.385 161.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -121.63 174.58 6.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.138 1.775 . . . . 0.0 111.677 172.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.01 -49.59 73.26 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.82 1.648 . . . . 0.0 113.184 -162.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.25 -55.72 25.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.822 0.737 . . . . 0.0 112.536 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 pm0 -63.39 -39.2 93.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.495 -0.753 . . . . 0.0 112.317 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.59 -42.22 91.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.684 0.674 . . . . 0.0 111.529 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.08 -39.27 92.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.067 0.849 . . . . 0.0 112.852 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -47.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.183 0.901 . . . . 0.0 110.876 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.51 -47.31 86.03 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.057 0.844 . . . . 0.0 111.955 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -54.34 -48.17 71.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.224 1.81 . . . . 0.0 112.358 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -67.59 -49.49 62.89 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.223 1.409 . . . . 0.0 112.107 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.77 -30.55 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.14 0.576 . . . . 0.0 112.236 177.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.38 16.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.667 0.667 . . . . 0.0 111.284 167.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.83 -30.04 60.77 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.233 1.413 . . . . 0.0 114.37 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.51 -17.85 24.57 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -142.13 -50.39 0.39 Allowed 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.168 1.349 . . . . 0.0 114.545 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -148.86 95.19 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.496 2.318 . . . . 0.0 108.149 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.02 -8.06 4.77 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -171.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.4 t -65.54 84.63 0.07 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.39 . . . . 0.0 111.733 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 t -56.18 -39.66 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.523 1.129 . . . . 0.0 112.73 -171.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -63.91 -40.94 97.66 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.039 -1.038 . . . . 0.0 113.271 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.6 t -66.87 -44.29 81.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.197 0.999 . . . . 0.0 111.368 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -57.45 -46.94 83.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.366 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.64 -42.24 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.186 0.994 . . . . 0.0 111.418 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.34 -48.15 79.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.33 0.968 . . . . 0.0 111.952 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -64.5 -39.56 94.01 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -56.13 -48.63 75.87 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.559 1.144 . . . . 0.0 111.786 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.91 -45.29 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 124.401 1.081 . . . . 0.0 111.338 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.47 -53.25 54.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.248 0.619 . . . . 0.0 111.595 172.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -61.14 -49.09 78.64 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.26 1.024 . . . . 0.0 112.646 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.7 p -69.95 -30.26 67.59 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 119.312 0.96 . . . . 0.0 111.13 169.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 CA--C 1.543 0.692 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -132.32 76.7 1.71 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.547 1.139 . . . . 0.0 111.871 -165.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -66.1 150.18 49.13 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.253 -0.904 . . . . 0.0 113.436 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.29 133.61 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.607 2.363 . . . . 0.0 108.81 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.0 p -142.72 140.84 31.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.673 1.189 . . . . 0.0 112.634 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -168.68 -167.33 0.76 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.433 1.893 . . . . 0.0 111.221 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -128.26 153.45 46.95 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.478 1.511 . . . . 0.0 112.452 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 99.6 mt -130.32 179.7 5.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.9 2.08 . . . . 0.0 109.74 168.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.3 m -89.26 149.97 22.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.868 0.867 . . . . 0.0 111.562 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -44.82 -54.24 6.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.016 1.726 . . . . 0.0 114.869 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -71.75 -36.39 70.41 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -61.27 -47.23 86.95 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.694 0.798 . . . . 0.0 111.439 170.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -61.99 -37.9 86.58 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.183 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.39 -40.04 95.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.991 0.916 . . . . 0.0 113.433 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.43 -45.92 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.097 -1.002 . . . . 0.0 110.674 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.9 -31.59 72.62 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.122 0.873 . . . . 0.0 113.348 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -58.89 -50.68 73.11 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.075 1.307 . . . . 0.0 111.037 168.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.04 -48.57 81.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.943 0.792 . . . . 0.0 112.601 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.51 -36.58 84.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.484 0.714 . . . . 0.0 112.504 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.69 73.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.752 0.706 . . . . 0.0 111.973 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -57.06 -29.77 63.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.647 1.112 . . . . 0.0 113.021 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.49 -29.37 70.49 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -153.19 2.12 0.28 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 -168.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -144.7 -37.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.861 1.665 . . . . 0.0 113.093 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 69.8 4.37 4.72 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.098 2.159 . . . . 0.0 115.25 -174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.3 m -144.12 115.24 7.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.368 1.467 . . . . 0.0 111.462 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.39 -37.96 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.589 0.756 . . . . 0.0 112.861 -172.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -56.2 -51.25 68.73 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.054 0.843 . . . . 0.0 112.4 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -70.99 -30.61 66.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.861 0.865 . . . . 0.0 112.222 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.54 -45.47 86.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 120.99 -1.069 . . . . 0.0 112.827 171.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.75 -38.37 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.262 -0.899 . . . . 0.0 110.856 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.89 -52.88 55.9 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.078 0.854 . . . . 0.0 111.828 166.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.2 -48.2 76.86 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.219 1.008 . . . . 0.0 112.067 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -54.45 -42.99 71.24 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.286 1.434 . . . . 0.0 112.943 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.46 -51.3 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.038 0.935 . . . . 0.0 110.821 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.12 -36.01 76.52 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.18 -8.01 35.01 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.908 1.448 . . . . 0.0 114.908 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.1 m -124.27 -39.28 2.35 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.545 1.138 . . . . 0.0 112.503 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 38.4 mm . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 124.865 1.266 . . . . 0.0 112.742 178.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -130.64 113.25 13.96 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.287 1.435 . . . . 0.0 110.198 -172.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 p -88.5 159.92 17.73 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -168.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -138.08 124.4 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.339 1.455 . . . . 0.0 108.561 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.3 p -142.98 129.87 20.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.803 1.241 . . . . 0.0 111.755 -174.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -159.23 -175.41 5.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.805 1.242 . . . . 0.0 111.898 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -125.3 155.69 39.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.245 1.418 . . . . 0.0 112.443 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt -133.85 169.43 17.08 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.656 2.382 . . . . 0.0 109.926 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -78.31 159.73 28.26 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.485 0.714 . . . . 0.0 111.414 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -59.42 -51.41 70.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.636 1.174 . . . . 0.0 113.038 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.38 -39.67 81.68 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.893 0.477 . . . . 0.0 111.813 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.21 -50.8 72.28 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.217 1.407 . . . . 0.0 112.026 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.94 -41.87 99.63 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.377 0.671 . . . . 0.0 111.673 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.7 -38.07 89.74 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.4 -47.35 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 110.973 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.38 -37.31 85.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.21 0.914 . . . . 0.0 112.538 173.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.61 -48.38 81.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.874 1.27 . . . . 0.0 111.653 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.54 -47.01 88.05 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.403 1.002 . . . . 0.0 111.714 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.0 -34.76 76.78 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.758 0.823 . . . . 0.0 112.659 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.98 -43.09 55.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 112.968 171.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -55.8 -36.82 67.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.51 1.524 . . . . 0.0 112.139 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.46 -21.6 64.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -154.36 -12.89 0.13 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 118.237 2.681 . . . . 0.0 118.237 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -133.97 -21.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.417 1.487 . . . . 0.0 113.36 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 70.77 3.35 4.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.846 1.658 . . . . 0.0 114.842 173.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 t -151.69 125.2 8.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.3 1.44 . . . . 0.0 111.426 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.76 -45.47 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.884 0.873 . . . . 0.0 111.662 -175.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.04 -35.14 76.26 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.399 -0.813 . . . . 0.0 112.327 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -65.08 -45.34 85.68 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.687 0.676 . . . . 0.0 111.375 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.57 -45.1 85.59 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.312 1.045 . . . . 0.0 112.514 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.94 -49.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.566 0.746 . . . . 0.0 111.814 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -55.46 -48.19 74.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.233 0.924 . . . . 0.0 111.978 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -58.93 -44.79 91.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.965 1.306 . . . . 0.0 112.203 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -56.91 -46.76 81.76 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.02 0.928 . . . . 0.0 112.704 174.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.085 0.554 . . . . 0.0 110.402 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.69 -54.13 50.35 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.549 0.613 . . . . 0.0 111.61 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -42.44 49.74 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.315 1.446 . . . . 0.0 113.14 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 m -87.02 -33.41 19.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.878 0.871 . . . . 0.0 111.318 -177.373 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 . . . . . 0 CA--C 1.542 0.656 0 CA-C-O 121.151 0.501 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.35 109.2 10.57 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.124 1.77 . . . . 0.0 109.517 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 52.3 p -81.05 158.98 24.91 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -167.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -135.44 131.95 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.794 1.638 . . . . 0.0 108.077 174.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -151.72 128.04 10.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.212 1.005 . . . . 0.0 111.797 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -159.11 179.62 8.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.034 1.334 . . . . 0.0 112.597 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -127.93 147.11 50.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.606 1.562 . . . . 0.0 112.225 -177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.65 172.95 11.86 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.226 2.21 . . . . 0.0 110.731 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -81.05 157.85 25.29 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.605 1.162 . . . . 0.0 111.13 174.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -57.12 -48.39 78.77 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.618 0.767 . . . . 0.0 112.943 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.11 -36.5 82.05 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -62.84 -50.89 69.17 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.419 0.688 . . . . 0.0 110.745 174.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -63.33 -37.43 87.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.18 -41.87 99.27 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.24 0.927 . . . . 0.0 113.008 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.03 -49.38 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.675 -0.641 . . . . 0.0 111.001 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.33 -44.17 88.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.634 0.652 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.99 -43.66 95.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.976 1.311 . . . . 0.0 112.279 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.26 -51.59 62.84 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.293 0.951 . . . . 0.0 111.903 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -36.89 79.98 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.476 0.71 . . . . 0.0 111.665 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -60.9 2.48 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.685 1.194 . . . . 0.0 111.673 170.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.48 -20.98 34.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.603 1.561 . . . . 0.0 114.664 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -48.59 -28.04 3.18 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 164.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.58 -21.59 0.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -147.71 94.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 127.876 2.471 . . . . 0.0 108.394 -173.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.4 -35.32 38.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.708 1.203 . . . . 0.0 114.048 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -70.43 88.37 0.66 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.695 1.598 . . . . 0.0 112.639 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 t -51.01 -41.04 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.503 1.521 . . . . 0.0 113.069 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -67.67 -37.13 81.93 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -68.95 -39.69 79.39 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.93 0.892 . . . . 0.0 111.478 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -57.24 -44.39 83.78 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.58 -0.7 . . . . 0.0 112.114 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -45.25 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.288 -0.882 . . . . 0.0 111.994 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -53.76 -46.82 71.07 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.319 0.963 . . . . 0.0 111.823 173.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -62.49 -45.32 93.55 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.052 1.341 . . . . 0.0 112.563 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.26 -35.44 69.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.473 1.509 . . . . 0.0 113.367 175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.43 -47.5 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.806 0.842 . . . . 0.0 110.622 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.54 -30.4 68.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.809 0.843 . . . . 0.0 112.975 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -64.92 78.04 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.444 1.897 . . . . 0.0 112.992 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.6 28.21 5.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.408 1.483 . . . . 0.0 114.785 159.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 tt . . . . . 0 N--CA 1.483 1.192 0 O-C-N 120.578 -1.326 . . . . 0.0 112.424 162.859 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 121.343 0.592 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -126.87 110.55 13.17 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.578 1.951 . . . . 0.0 109.312 -173.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.7 p -80.62 157.21 26.05 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -166.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.22 131.38 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.746 1.618 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -143.59 136.52 27.58 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.724 1.21 . . . . 0.0 111.442 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -165.28 -170.67 1.95 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.099 1.36 . . . . 0.0 112.199 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -126.98 151.32 48.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.009 1.724 . . . . 0.0 112.599 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -130.45 170.83 13.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.116 2.166 . . . . 0.0 110.672 173.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -82.15 162.13 22.57 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.193 0.997 . . . . 0.0 112.557 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -56.28 -58.76 6.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.79 1.236 . . . . 0.0 113.344 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.21 -35.97 71.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.406 0.682 . . . . 0.0 111.887 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.48 -53.7 54.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.69 1.196 . . . . 0.0 111.779 173.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.42 -43.22 95.06 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.83 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.57 -40.23 93.99 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.22 -47.7 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.948 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.02 -39.13 88.6 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.331 0.969 . . . . 0.0 112.257 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -42.13 96.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.522 1.529 . . . . 0.0 112.751 172.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.5 -49.64 68.24 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.448 1.022 . . . . 0.0 111.79 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.6 -33.35 74.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.11 0.964 . . . . 0.0 112.332 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -60.72 2.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.612 0.765 . . . . 0.0 111.208 168.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -54.23 -27.53 35.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.369 1.468 . . . . 0.0 114.783 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.55 -26.56 32.87 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -141.54 -35.65 0.45 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.94 91.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 128.301 2.641 . . . . 0.0 109.557 -173.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.66 50.44 0.05 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 127.453 2.301 . . . . 0.0 116.483 -177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -145.85 95.51 2.65 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.928 2.491 . . . . 0.0 109.814 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -59.82 -40.99 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.729 0.812 . . . . 0.0 111.695 -173.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -64.31 -40.17 95.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.576 -0.703 . . . . 0.0 112.707 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -64.61 -45.9 84.95 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.741 0.701 . . . . 0.0 111.351 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -59.43 -45.35 91.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.042 0.937 . . . . 0.0 113.056 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.43 -47.79 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.426 -0.796 . . . . 0.0 111.37 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -53.15 -46.31 68.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.708 0.803 . . . . 0.0 111.775 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -62.23 -45.39 93.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.197 1.799 . . . . 0.0 112.469 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.01 -49.44 71.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.692 1.197 . . . . 0.0 112.221 173.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.92 -50.96 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.727 0.811 . . . . 0.0 110.48 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.35 -53.85 53.49 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.793 1.237 . . . . 0.0 111.893 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.27 -29.1 70.49 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.8 m -71.93 -42.81 66.22 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.272 0.487 . . . . 0.0 111.606 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.71 0.804 . . . . 0.0 112.146 -179.397 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 121.245 0.545 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -119.34 106.23 12.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.803 1.641 . . . . 0.0 109.938 -173.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 24.5 p -78.67 158.65 28.32 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.98 132.32 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.294 1.437 . . . . 0.0 109.427 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.0 p -143.9 135.2 25.77 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 111.307 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -162.84 -175.12 4.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.778 1.231 . . . . 0.0 112.462 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.53 152.3 37.2 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.853 1.661 . . . . 0.0 112.275 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.26 171.63 12.28 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.248 2.219 . . . . 0.0 110.054 171.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -77.42 161.44 27.98 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.137 0.575 . . . . 0.0 111.744 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.96 -54.13 48.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.103 . . . . 0.0 112.762 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -33.82 73.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.859 0.463 . . . . 0.0 112.031 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.62 -53.61 55.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.244 1.417 . . . . 0.0 111.855 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -60.64 -40.9 93.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.639 -0.663 . . . . 0.0 111.738 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.64 -45.8 91.14 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.74 -37.52 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.291 0.95 . . . . 0.0 112.165 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.05 -38.9 92.75 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.372 0.987 . . . . 0.0 111.682 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttp-105 -63.21 -40.47 97.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.853 0.861 . . . . 0.0 111.961 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -62.73 -46.52 87.7 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.838 1.199 . . . . 0.0 112.197 174.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.81 -33.16 73.63 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.969 0.908 . . . . 0.0 112.389 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.8 20.63 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.579 0.752 . . . . 0.0 111.729 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -55.54 -22.68 22.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.025 2.13 . . . . 0.0 114.921 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -49.19 -23.09 1.17 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.52 -39.16 0.22 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -157.19 101.65 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.783 2.433 . . . . 0.0 109.423 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.03 78.68 0.49 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 123.099 1.428 . . . . 0.0 113.423 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -147.95 82.74 1.51 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.403 1.881 . . . . 0.0 111.659 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 m -51.3 -36.93 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -58.83 -53.02 63.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.694 0.798 . . . . 0.0 112.208 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -45.7 83.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.182 0.993 . . . . 0.0 111.703 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.62 -48.9 79.87 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.023 0.929 . . . . 0.0 112.638 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.61 -41.55 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.669 -0.644 . . . . 0.0 111.433 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -56.77 -45.16 82.27 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.665 1.12 . . . . 0.0 112.087 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -64.04 -43.11 96.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.793 1.237 . . . . 0.0 112.646 174.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -54.36 -49.61 69.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 111.955 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.28 -49.95 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.994 0.917 . . . . 0.0 110.661 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -53.92 -56.23 19.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.353 0.661 . . . . 0.0 111.118 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.99 -39.51 92.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.133 . . . . 0.0 113.464 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -72.25 -28.02 62.88 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 N--CA 1.474 0.751 0 C-N-CA 123.868 0.867 . . . . 0.0 111.194 170.471 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m120 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -127.49 105.63 8.63 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.277 1.431 . . . . 0.0 110.238 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.2 p -77.73 156.73 30.43 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -140.45 134.21 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.503 1.521 . . . . 0.0 108.857 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.98 119.51 5.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.052 0.941 . . . . 0.0 110.642 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -156.3 156.53 34.15 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -82.51 147.04 28.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.412 1.085 . . . . 0.0 112.963 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.35 170.34 13.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.963 2.105 . . . . 0.0 110.693 170.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -81.3 163.16 23.13 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.955 0.902 . . . . 0.0 112.267 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -59.8 -58.85 6.79 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.789 0.836 . . . . 0.0 112.92 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.56 -34.61 77.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.371 0.668 . . . . 0.0 112.083 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.74 -52.56 64.94 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -63.71 -38.7 92.1 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.409 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.21 -46.31 86.08 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.669 1.122 . . . . 0.0 112.522 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.05 -48.67 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.926 0.89 . . . . 0.0 110.985 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.44 -37.33 77.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.908 0.777 . . . . 0.0 112.19 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -64.58 -44.99 88.94 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.664 1.186 . . . . 0.0 112.119 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.32 79.82 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 112.153 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -33.46 74.71 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.73 -49.43 62.63 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.709 0.686 . . . . 0.0 111.936 169.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.39 -29.06 63.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.404 1.082 . . . . 0.0 113.336 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -27.1 68.53 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.39 -11.3 0.1 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 118.222 2.675 . . . . 0.0 118.222 -167.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -134.48 -25.56 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.72 1.608 . . . . 0.0 113.177 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 69.21 6.32 5.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.532 1.933 . . . . 0.0 115.636 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 t -150.37 136.15 18.33 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.974 -1.079 . . . . 0.0 112.458 168.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.74 -41.08 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.574 0.75 . . . . 0.0 112.444 -167.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -73.4 -37.13 66.06 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.214 0.915 . . . . 0.0 113.119 -175.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 p -71.32 -36.55 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.071 0.85 . . . . 0.0 111.899 171.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.8 -49.0 78.1 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.822 0.737 . . . . 0.0 112.103 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.21 -40.31 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.82 0.848 . . . . 0.0 111.741 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.13 -52.59 62.8 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.74 1.155 . . . . 0.0 111.865 171.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -63.31 -39.92 95.9 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.13 0.972 . . . . 0.0 112.664 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.93 -50.64 71.97 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.916 1.287 . . . . 0.0 111.929 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.27 -44.41 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 111.231 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 tp -53.89 -57.9 9.24 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.654 0.781 . . . . 0.0 110.402 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.42 -34.46 73.99 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.416 1.086 . . . . 0.0 113.586 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -69.37 -26.0 64.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.12 0.968 . . . . 0.0 113.494 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.483 1.201 0 CA-C-N 119.53 1.059 . . . . 0.0 113.372 -176.007 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -125.22 99.92 6.3 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.254 1.422 . . . . 0.0 110.612 -171.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.9 t -79.45 152.38 30.32 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -132.97 130.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.674 1.99 . . . . 0.0 108.415 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -139.05 128.0 23.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.619 1.168 . . . . 0.0 111.856 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -161.81 -172.57 3.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.207 -170.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -131.12 150.49 52.12 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.711 1.604 . . . . 0.0 112.069 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.31 177.62 7.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.14 2.176 . . . . 0.0 110.029 171.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.3 m -87.78 158.23 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.576 1.15 . . . . 0.0 111.911 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -53.8 -54.25 40.95 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.43 1.092 . . . . 0.0 113.49 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.54 -38.31 84.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.778 0.431 . . . . 0.0 112.064 -175.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.68 -51.33 69.85 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.87 0.868 . . . . 0.0 111.775 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -62.41 -39.28 92.74 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.199 0.599 . . . . 0.0 112.021 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.76 -39.97 91.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.93 -45.62 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.203 0.91 . . . . 0.0 110.927 172.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.65 -39.88 89.96 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.692 -0.63 . . . . 0.0 111.577 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -61.68 -36.95 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.251 1.02 . . . . 0.0 112.739 171.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -63.98 -52.1 61.2 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.714 1.143 . . . . 0.0 111.595 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.14 -29.0 70.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.493 0.717 . . . . 0.0 112.416 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.65 41.72 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.519 0.728 . . . . 0.0 111.749 166.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.63 -20.18 54.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.502 1.921 . . . . 0.0 114.464 -178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -50.17 -19.77 0.85 Allowed 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 161.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -148.77 -39.3 0.16 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.64 107.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 127.288 2.235 . . . . 0.0 109.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.42 -9.48 34.38 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -164.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 p -58.54 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.687 1.595 . . . . 0.0 113.575 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.88 -45.41 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.713 1.205 . . . . 0.0 113.126 -164.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -64.36 -43.84 93.26 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -65.91 -40.3 91.37 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.956 0.902 . . . . 0.0 112.13 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -58.74 -50.51 73.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.075 0.95 . . . . 0.0 112.091 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.68 -42.4 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.926 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -54.56 -52.21 62.82 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.839 1.2 . . . . 0.0 111.504 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.07 -47.49 85.66 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.479 1.112 . . . . 0.0 112.452 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -57.5 -45.43 84.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.212 1.405 . . . . 0.0 112.385 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.3 mm -75.48 -40.61 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.288 1.035 . . . . 0.0 111.417 -176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.51 -51.83 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.074 0.852 . . . . 0.0 110.729 170.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.54 -49.22 73.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.832 0.853 . . . . 0.0 112.489 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -63.17 -39.28 94.19 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.006 0.922 . . . . 0.0 112.836 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.471 0.617 0 C-N-CA 124.536 1.134 . . . . 0.0 112.014 178.612 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 120.166 0.031 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -137.15 163.57 30.52 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 126.058 1.743 . . . . 0.0 111.743 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -139.31 150.0 44.9 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.525 1.93 . . . . 0.0 109.795 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -118.5 102.14 8.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.587 1.555 . . . . 0.0 109.557 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 p -74.33 160.43 31.07 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.0 t -138.57 134.75 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.575 1.55 . . . . 0.0 108.596 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 t -153.49 125.55 7.9 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -157.97 -179.47 8.17 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 0.0 112.974 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -126.13 154.81 42.62 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.073 1.749 . . . . 0.0 112.725 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -143.87 170.45 15.87 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.188 2.595 . . . . 0.0 111.046 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 m -78.8 161.48 26.78 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.766 1.226 . . . . 0.0 111.939 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -54.5 -53.15 58.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.092 0.957 . . . . 0.0 112.305 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -68.35 -38.27 81.29 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.915 1.286 . . . . 0.0 111.934 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -61.82 -49.75 75.04 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.681 0.793 . . . . 0.0 111.469 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.45 -37.9 87.69 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.029 -0.419 . . . . 0.0 112.097 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.6 -35.11 79.41 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.06 -48.46 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.453 1.024 . . . . 0.0 110.491 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.24 -41.73 93.76 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.795 0.725 . . . . 0.0 112.109 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -57.98 -47.39 83.12 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.463 1.505 . . . . 0.0 112.567 174.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -63.78 -50.61 68.31 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.127 0.876 . . . . 0.0 111.489 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.14 -35.45 77.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.373 0.669 . . . . 0.0 112.11 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -59.86 3.7 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 111.479 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.42 -27.64 49.14 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.38 -21.34 49.9 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 171.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -142.58 -42.4 0.32 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -148.01 91.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 128.28 2.632 . . . . 0.0 109.622 -171.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.55 47.72 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.977 2.511 . . . . 0.0 116.906 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -142.2 91.84 2.38 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.989 2.516 . . . . 0.0 109.369 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 -40.31 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.123 0.969 . . . . 0.0 112.506 -168.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -61.57 -46.39 90.09 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.426 -0.796 . . . . 0.0 113.057 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -65.3 -44.04 89.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.388 0.675 . . . . 0.0 111.392 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.81 -47.16 80.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.347 1.059 . . . . 0.0 112.461 173.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.23 -44.86 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.999 0.818 . . . . 0.0 111.244 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.33 -45.64 84.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.654 1.115 . . . . 0.0 111.676 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -59.79 -46.9 87.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.173 1.389 . . . . 0.0 112.511 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -55.83 -49.69 72.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.672 1.589 . . . . 0.0 111.918 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.26 -50.48 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.9 0.88 . . . . 0.0 110.437 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.0 tp -54.97 -55.89 25.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.114 0.565 . . . . 0.0 111.445 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.99 -38.64 91.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.133 0.973 . . . . 0.0 113.312 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.5 p -72.04 -27.85 62.97 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.39 -48.78 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.032 0.833 . . . . 0.0 111.189 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.6 tt -158.83 156.08 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 124.801 1.24 . . . . 0.0 111.67 -175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -144.42 142.19 30.15 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.812 1.245 . . . . 0.0 110.414 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 48.24 43.07 18.62 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.998 2.119 . . . . 0.0 113.463 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -61.52 163.6 6.73 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.566 1.546 . . . . 0.0 113.578 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.32 -1.62 21.84 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.811 1.196 . . . . 0.0 115.054 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.7 p -68.41 -41.67 80.08 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.788 1.294 . . . . 0.0 112.947 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -161.26 165.19 29.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.504 1.922 . . . . 0.0 111.125 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -150.77 167.1 28.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.267 1.427 . . . . 0.0 112.05 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -149.48 176.3 10.73 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.278 1.431 . . . . 0.0 111.232 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.9 p -143.19 6.78 1.54 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.231 1.813 . . . . 0.0 114.046 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 t -143.6 177.26 8.61 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.718 1.607 . . . . 0.0 112.301 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.7 pt -140.09 164.4 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.697 1.999 . . . . 0.0 111.892 -174.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.226 1.411 . . . . 0.0 113.706 175.09 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -64.34 168.91 5.12 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.987 1.315 . . . . 0.0 112.206 169.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -127.27 151.38 48.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.816 1.647 . . . . 0.0 110.376 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -129.44 137.53 50.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.338 1.855 . . . . 0.0 110.227 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -116.26 156.72 26.1 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -165.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.51 129.09 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.977 1.311 . . . . 0.0 109.111 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -141.58 136.07 30.7 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.737 1.215 . . . . 0.0 111.66 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.31 -172.64 3.05 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.315 1.446 . . . . 0.0 111.531 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -127.08 149.47 49.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.937 1.295 . . . . 0.0 112.936 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 79.8 mt -124.75 162.84 23.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.025 2.13 . . . . 0.0 110.359 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -78.71 159.8 27.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.456 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -52.8 -49.24 66.01 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.065 0.946 . . . . 0.0 112.61 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -71.98 -44.91 62.76 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.308 0.643 . . . . 0.0 112.464 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.73 -37.08 79.18 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.38 -0.825 . . . . 0.0 111.984 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.51 -43.9 88.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.845 -0.534 . . . . 0.0 111.615 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.48 -40.87 96.11 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.421 1.01 . . . . 0.0 113.399 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -60.41 -49.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.471 -0.768 . . . . 0.0 110.76 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.97 -31.87 73.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.005 0.82 . . . . 0.0 113.011 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -63.0 -43.69 98.09 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.605 1.093 . . . . 0.0 111.792 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.45 -48.44 77.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.559 1.072 . . . . 0.0 111.942 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.82 -36.45 79.08 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.998 0.919 . . . . 0.0 112.387 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.13 -54.05 24.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.833 0.853 . . . . 0.0 111.761 170.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.18 -27.56 46.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.673 1.589 . . . . 0.0 114.24 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -55.91 -25.83 44.71 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 170.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -142.47 -45.72 0.32 Allowed 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.94 87.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.843 2.457 . . . . 0.0 109.572 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.95 -15.59 9.38 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -66.51 91.66 0.18 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.278 1.431 . . . . 0.0 111.717 173.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 t -57.82 -42.95 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.632 1.173 . . . . 0.0 113.11 -168.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -66.37 -35.27 79.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.225 -0.922 . . . . 0.0 112.795 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -67.78 -41.6 82.98 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.698 0.681 . . . . 0.0 111.773 171.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.29 -44.2 88.39 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.169 -0.957 . . . . 0.0 112.421 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.45 -46.3 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.509 -0.745 . . . . 0.0 111.817 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -52.74 -49.66 65.01 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.125 0.875 . . . . 0.0 111.59 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -61.01 -43.13 99.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.478 1.511 . . . . 0.0 112.34 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -56.14 -48.18 76.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.491 1.116 . . . . 0.0 112.432 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.76 -50.18 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.116 0.567 . . . . 0.0 110.497 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.89 -55.23 28.72 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.389 0.676 . . . . 0.0 111.292 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.23 -36.43 70.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.236 1.015 . . . . 0.0 113.056 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -71.79 -44.15 64.48 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.457 0.703 . . . . 0.0 112.139 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 23.5 mm -78.18 -36.9 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.408 1.083 . . . . 0.0 112.768 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -152.39 143.11 15.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.728 1.211 . . . . 0.0 112.158 -171.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -134.25 4.53 3.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -144.33 41.19 1.36 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.672 1.589 . . . . 0.0 112.048 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -55.1 136.76 47.86 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.995 1.318 . . . . 0.0 111.14 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.04 -38.68 95.69 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.148 0.819 . . . . 0.0 115.148 -169.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.62 154.68 40.05 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.527 1.131 . . . . 0.0 111.098 -176.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -142.6 45.35 1.61 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.517 1.527 . . . . 0.0 112.76 -168.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -58.43 161.25 4.59 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.092 1.357 . . . . 0.0 113.985 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -139.35 160.19 40.4 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.164 1.786 . . . . 0.0 111.125 172.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 80.2 p -138.77 10.4 2.65 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -172.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 11.7 t -63.05 149.25 45.54 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.219 1.008 . . . . 0.0 112.465 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 1.5 pp -141.93 163.3 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.264 1.825 . . . . 0.0 112.284 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.971 1.308 . . . . 0.0 112.469 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 119.907 -0.092 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -142.21 36.8 1.54 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.467 1.507 . . . . 0.0 112.976 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -66.74 125.74 26.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.422 2.289 . . . . 0.0 111.232 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -126.75 108.43 11.05 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.532 1.933 . . . . 0.0 109.919 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 p -76.88 159.05 30.34 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -171.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.3 t -137.44 134.28 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 108.472 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -153.97 124.99 7.3 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 0.0 111.23 -172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -157.69 179.0 9.64 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.291 1.036 . . . . 0.0 113.09 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.07 150.76 46.47 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.707 1.603 . . . . 0.0 112.783 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.06 178.95 6.79 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.13 2.572 . . . . 0.0 110.543 -174.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.1 t -88.25 156.63 19.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.926 1.29 . . . . 0.0 111.48 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -54.52 -44.5 72.81 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.594 1.158 . . . . 0.0 112.758 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.6 -42.18 95.73 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.177 0.591 . . . . 0.0 112.161 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.78 -49.32 73.41 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.826 0.85 . . . . 0.0 111.429 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -62.65 -40.19 96.25 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.614 -0.679 . . . . 0.0 111.829 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.04 -48.03 82.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.012 0.925 . . . . 0.0 113.063 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.78 -37.97 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.812 1.187 . . . . 0.0 112.28 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.03 -45.92 89.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.089 0.859 . . . . 0.0 111.262 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -62.07 -36.59 82.12 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 118.061 -0.971 . . . . 0.0 112.665 174.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.8 -51.95 62.45 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.438 1.472 . . . . 0.0 111.195 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.73 -32.61 71.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.543 0.737 . . . . 0.0 112.445 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.44 -53.61 27.46 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.443 0.697 . . . . 0.0 111.966 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.01 -25.13 63.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.608 1.963 . . . . 0.0 114.265 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -55.26 -16.44 3.32 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 166.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.91 -54.46 0.54 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.922 1.289 . . . . 0.0 113.764 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -153.25 101.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 128.122 2.569 . . . . 0.0 107.686 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.55 -13.87 16.63 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -170.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -57.77 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.591 1.956 . . . . 0.0 113.126 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.5 t -56.83 -39.2 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.647 1.179 . . . . 0.0 112.636 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -56.86 -51.64 68.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.787 0.835 . . . . 0.0 112.995 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -64.83 -46.73 80.69 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.644 1.178 . . . . 0.0 111.583 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -56.78 -49.5 75.13 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 112.338 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.79 -45.04 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.615 0.766 . . . . 0.0 111.334 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.35 -49.79 66.38 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.711 1.141 . . . . 0.0 112.121 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.71 -41.99 91.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.225 1.41 . . . . 0.0 112.627 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -56.2 -48.43 76.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.351 1.461 . . . . 0.0 112.442 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.26 -51.39 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.957 0.903 . . . . 0.0 110.469 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.04 -54.6 36.99 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.843 . . . . 0.0 111.249 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -58.22 -44.78 88.34 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.134 0.973 . . . . 0.0 112.494 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.4 m -64.45 -39.02 93.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.111 0.565 . . . . 0.0 111.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.3 mt -69.1 -44.61 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.576 0.75 . . . . 0.0 111.316 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 tt -151.29 127.11 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 122.458 1.123 . . . . 0.0 112.622 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -89.29 53.91 2.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.454 1.502 . . . . 0.0 111.74 -176.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -134.73 100.45 4.62 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.569 1.947 . . . . 0.0 109.844 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.57 122.17 24.37 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.465 1.906 . . . . 0.0 109.946 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.38 -30.38 0.42 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.657 1.123 . . . . 0.0 114.152 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 m -62.99 -26.14 68.71 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.32 1.448 . . . . 0.0 113.283 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -138.23 167.97 20.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.359 1.863 . . . . 0.0 111.084 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.15 36.83 1.92 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.898 1.279 . . . . 0.0 112.897 -172.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -54.94 108.98 0.46 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.274 1.429 . . . . 0.0 113.191 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 98.1 p -145.31 8.34 1.19 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.226 1.41 . . . . 0.0 114.103 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.3 m -62.58 153.43 32.06 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.268 1.427 . . . . 0.0 113.428 -176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.3 tp -56.71 127.98 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.347 1.059 . . . . 0.0 111.909 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 126.315 1.846 . . . . 0.0 110.989 -177.362 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.264 19.5 ptpt . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -76.1 -20.09 57.98 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -128.64 147.16 50.72 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.807 1.643 . . . . 0.0 112.006 -172.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -141.32 148.84 40.39 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.517 2.327 . . . . 0.0 109.728 -169.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.67 157.07 30.4 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -166.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -138.36 133.37 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.956 1.303 . . . . 0.0 109.641 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p -141.89 141.73 33.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.054 1.341 . . . . 0.0 111.519 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -165.71 -172.85 2.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.751 1.62 . . . . 0.0 111.171 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -125.82 154.87 41.99 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.273 1.429 . . . . 0.0 112.224 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -132.9 175.12 9.63 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.132 2.173 . . . . 0.0 109.24 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 82.9 p -78.95 157.69 28.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 122.864 0.466 . . . . 0.0 111.506 171.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.5 -40.45 62.41 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.553 0.741 . . . . 0.0 112.403 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.86 -49.76 66.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.089 0.556 . . . . 0.0 111.677 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.37 -49.27 78.24 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 110.992 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.77 -38.2 90.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.165 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.87 -44.33 93.38 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.375 0.989 . . . . 0.0 112.87 173.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.77 -49.43 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.712 -0.617 . . . . 0.0 111.256 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -33.23 75.52 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.73 -0.606 . . . . 0.0 112.619 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -63.17 -47.09 84.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.509 1.049 . . . . 0.0 111.744 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -60.37 -47.08 87.59 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.506 1.048 . . . . 0.0 111.531 174.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.24 -36.63 82.59 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 112.747 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.51 62.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.173 0.989 . . . . 0.0 112.355 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.1 -26.43 66.21 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.664 1.186 . . . . 0.0 113.21 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.04 -29.14 67.06 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.16 -10.39 0.14 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 118.227 2.677 . . . . 0.0 118.227 -166.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.39 -29.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 126.245 1.818 . . . . 0.0 112.846 -175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 65.9 9.32 6.01 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.285 1.834 . . . . 0.0 115.857 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.5 m -143.49 111.37 6.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.893 1.677 . . . . 0.0 110.489 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.17 -42.85 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 0.0 112.37 -169.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -69.23 -40.3 78.01 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 88.8 p -72.37 -33.71 67.43 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.135 0.879 . . . . 0.0 112.244 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -58.08 -46.75 84.95 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.91 0.777 . . . . 0.0 111.986 167.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.316 -0.865 . . . . 0.0 111.881 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -55.12 -46.48 75.61 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.094 -1.004 . . . . 0.0 112.139 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -60.9 -45.75 93.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.882 1.273 . . . . 0.0 112.118 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.07 -47.61 71.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.983 1.313 . . . . 0.0 112.413 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 29.7 mt -66.75 -49.72 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.205 0.602 . . . . 0.0 110.578 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.8 -47.27 83.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.075 0.95 . . . . 0.0 111.716 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.17 -40.48 85.74 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.315 1.046 . . . . 0.0 112.454 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 39.2 m -73.25 -15.13 61.43 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 34.0 mm -119.69 -29.22 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 O-C-N 120.993 -1.067 . . . . 0.0 112.673 -173.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 22.1 mm -130.09 65.79 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 127.339 2.255 . . . . 0.0 108.709 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -58.47 -31.4 67.77 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.459 1.504 . . . . 0.0 114.385 -178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -159.12 119.16 3.11 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.839 1.655 . . . . 0.0 110.453 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -134.58 14.36 3.72 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.78 1.632 . . . . 0.0 113.849 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.49 -160.9 6.03 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.912 1.244 . . . . 0.0 113.831 -171.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.2 p -69.98 154.84 41.43 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.793 -0.828 . . . . 0.0 111.717 167.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.6 15.52 2.16 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.228 1.411 . . . . 0.0 111.874 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.75 169.47 24.65 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.676 1.99 . . . . 0.0 111.687 -173.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -149.57 145.62 26.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.06 1.344 . . . . 0.0 111.501 172.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 80.7 p -145.29 10.87 1.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.077 1.751 . . . . 0.0 113.483 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -63.0 152.05 37.97 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.297 1.039 . . . . 0.0 113.313 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 19.1 tt -62.78 149.09 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 125.118 1.367 . . . . 0.0 112.591 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.976 1.711 . . . . 0.0 111.444 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 111.036 0.013 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -140.03 157.94 44.85 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.208 1.803 . . . . 0.0 111.377 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -136.35 150.19 48.73 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.705 1.602 . . . . 0.0 110.908 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -137.89 144.57 41.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.556 1.942 . . . . 0.0 109.872 -168.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.68 159.52 23.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.867 0.842 . . . . 0.0 112.922 -165.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.85 131.91 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.382 1.473 . . . . 0.0 108.18 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -153.2 121.89 6.39 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.275 1.03 . . . . 0.0 111.764 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -158.24 -172.39 3.87 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.63 1.572 . . . . 0.0 112.18 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.74 152.17 48.08 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.609 1.564 . . . . 0.0 112.735 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -133.95 178.05 7.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.086 2.154 . . . . 0.0 109.497 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.9 m -83.66 151.91 25.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.573 0.749 . . . . 0.0 111.11 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -46.76 -46.98 20.83 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.463 1.505 . . . . 0.0 113.751 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.52 -42.18 78.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.045 0.938 . . . . 0.0 112.26 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.15 -47.68 83.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.242 0.617 . . . . 0.0 111.02 172.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -59.94 -42.71 94.59 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.791 -0.568 . . . . 0.0 112.331 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.66 -46.43 89.06 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.282 1.033 . . . . 0.0 112.606 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.43 -50.14 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.606 -0.684 . . . . 0.0 111.538 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.66 -39.44 84.44 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.535 0.734 . . . . 0.0 112.142 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.52 -44.21 94.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.118 1.367 . . . . 0.0 112.381 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -64.68 -45.84 84.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.86 0.755 . . . . 0.0 111.797 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -36.84 82.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.108 0.563 . . . . 0.0 111.865 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.15 69.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.637 0.775 . . . . 0.0 112.069 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.27 -30.17 66.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.457 1.026 . . . . 0.0 113.469 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -64.43 -21.39 66.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -154.08 -11.68 0.14 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 118.239 2.681 . . . . 0.0 118.239 -170.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -136.55 -30.22 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 125.772 1.629 . . . . 0.0 112.991 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 64.79 6.94 3.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.72 2.008 . . . . 0.0 116.081 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -142.38 105.87 4.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.743 1.617 . . . . 0.0 110.33 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -60.76 -40.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.964 0.906 . . . . 0.0 112.665 -169.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -57.34 -53.75 54.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.361 1.064 . . . . 0.0 112.443 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -63.15 -40.45 97.6 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.095 0.958 . . . . 0.0 111.789 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.09 -50.26 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.056 0.943 . . . . 0.0 112.309 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 118.969 0.804 . . . . 0.0 111.059 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -54.47 -50.22 68.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -66.15 -39.62 89.94 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.777 1.231 . . . . 0.0 112.907 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.27 -47.92 77.62 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.754 1.222 . . . . 0.0 112.218 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.39 -48.77 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.444 0.698 . . . . 0.0 110.355 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.95 -56.91 12.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.645 0.778 . . . . 0.0 111.308 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.87 -41.72 87.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.062 1.345 . . . . 0.0 113.075 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.1 m -66.48 -40.34 89.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.062 0.545 . . . . 0.0 111.739 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.39 -40.66 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.068 0.947 . . . . 0.0 112.002 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.8 tt -150.57 129.28 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 122.602 1.192 . . . . 0.0 112.407 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -90.39 58.29 3.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.122 1.369 . . . . 0.0 111.271 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -141.71 101.38 3.96 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.83 1.652 . . . . 0.0 110.876 -174.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -61.78 167.07 3.88 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.063 1.745 . . . . 0.0 112.453 172.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.7 -36.27 0.02 OUTLIER Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.145 0.818 . . . . 0.0 115.145 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 p -138.94 154.2 48.3 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.031 1.332 . . . . 0.0 111.991 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -78.1 168.54 19.71 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.953 0.901 . . . . 0.0 111.685 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.85 143.76 54.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.991 0.917 . . . . 0.0 111.821 172.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -149.08 158.38 44.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.54 1.536 . . . . 0.0 111.075 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.5 t -162.26 109.79 1.34 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.488 1.515 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -71.13 -5.08 28.96 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.92 131.78 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.113 1.365 . . . . 0.0 110.207 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.076 1.351 . . . . 0.0 113.429 178.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 63.4 tttm . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -82.64 -13.42 56.49 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 115.618 1.711 . . . . 0.0 115.618 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -74.69 117.21 16.27 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.001 1.72 . . . . 0.0 111.006 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -123.5 112.88 18.01 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.516 1.926 . . . . 0.0 109.983 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -81.05 156.81 25.66 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 128.39 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.381 1.472 . . . . 0.0 108.839 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 144.75 33.73 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.395 1.078 . . . . 0.0 111.425 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -163.78 178.81 7.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.91 1.284 . . . . 0.0 112.257 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -127.06 152.55 47.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.293 1.437 . . . . 0.0 112.791 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -140.66 178.52 7.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.325 2.65 . . . . 0.0 110.267 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 m -92.87 159.58 15.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 0.0 111.26 172.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.1 -48.2 76.62 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.85 0.86 . . . . 0.0 113.207 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.06 -41.94 94.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.108 0.563 . . . . 0.0 111.962 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.22 -48.3 82.31 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.497 0.719 . . . . 0.0 111.63 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.32 -37.55 85.64 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.97 -42.31 99.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.255 0.934 . . . . 0.0 112.915 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.12 -47.58 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.425 0.69 . . . . 0.0 111.072 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.89 -40.61 89.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.608 0.64 . . . . 0.0 112.241 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.95 -45.09 95.21 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.56 1.144 . . . . 0.0 112.037 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.38 -50.68 68.93 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.107 0.867 . . . . 0.0 111.847 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.28 -38.65 77.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.613 1.165 . . . . 0.0 112.265 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.13 -58.83 3.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.662 1.185 . . . . 0.0 111.726 171.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.29 -21.83 50.44 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.184 1.394 . . . . 0.0 114.598 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.56 -29.38 6.87 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 164.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -142.06 -27.3 0.64 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.3 t -149.25 94.85 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 127.945 2.498 . . . . 0.0 108.226 -168.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.95 -27.75 46.09 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -79.76 107.39 12.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.938 0.895 . . . . 0.0 111.344 172.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.14 -39.87 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.132 0.973 . . . . 0.0 111.704 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -72.74 -34.54 67.12 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.23 -0.919 . . . . 0.0 112.895 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.4 t -68.46 -38.93 81.55 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.987 0.812 . . . . 0.0 111.543 172.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -57.79 -46.14 85.05 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.887 0.875 . . . . 0.0 112.34 169.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.46 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.27 0.941 . . . . 0.0 111.629 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -53.79 -49.72 67.66 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.631 0.772 . . . . 0.0 111.84 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -59.28 -44.94 92.42 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.55 1.14 . . . . 0.0 112.143 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.08 -49.26 74.31 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.108 1.363 . . . . 0.0 112.464 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.85 -47.97 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.356 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 78.4 mt -58.42 -53.03 62.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.048 0.539 . . . . 0.0 111.796 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -60.9 -25.12 66.5 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.4 m -80.69 -18.34 48.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.188 0.995 . . . . 0.0 113.129 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.8 -26.61 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 O-C-N 121.143 -0.973 . . . . 0.0 113.106 -165.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 39.3 mm -125.58 131.37 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.632 1.973 . . . . 0.0 109.504 -171.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -134.09 0.85 3.19 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -171.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -144.5 103.21 3.93 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.136 1.774 . . . . 0.0 110.436 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -143.19 175.35 9.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.872 1.669 . . . . 0.0 112.239 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.4 169.64 53.06 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.198 0.904 . . . . 0.0 114.003 173.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 20.3 p -68.05 -23.93 65.02 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -59.64 150.96 25.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.507 1.523 . . . . 0.0 114.214 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.75 174.57 14.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.063 2.145 . . . . 0.0 111.381 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -145.99 151.11 37.25 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.625 1.17 . . . . 0.0 111.977 174.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 81.1 p -147.49 9.44 0.93 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.539 1.936 . . . . 0.0 113.598 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.1 t -58.91 142.13 51.63 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.509 1.124 . . . . 0.0 113.09 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 9.5 tp -154.49 153.96 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.853 1.661 . . . . 0.0 110.822 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 125.836 1.655 . . . . 0.0 111.832 177.824 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mptt . . . . . 0 N--CA 1.5 2.071 0 CA-C-O 120.244 0.069 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 149.23 48.74 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.33 1.052 . . . . 0.0 111.64 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -146.44 156.29 43.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.416 1.886 . . . . 0.0 110.367 173.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.79 124.53 39.9 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.561 1.545 . . . . 0.0 109.454 -172.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 p -94.68 161.14 14.31 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.51 135.97 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.334 1.453 . . . . 0.0 108.842 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.83 123.0 5.92 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.384 1.074 . . . . 0.0 111.215 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -154.21 166.71 32.28 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.267 1.027 . . . . 0.0 112.872 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -100.24 154.77 18.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.494 1.118 . . . . 0.0 112.405 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.52 163.43 29.42 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.837 2.455 . . . . 0.0 110.22 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -70.51 153.25 43.12 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.322 1.049 . . . . 0.0 110.586 163.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.68 -38.95 57.22 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.653 0.781 . . . . 0.0 112.41 169.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.33 -52.8 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.075 0.55 . . . . 0.0 112.428 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.77 -35.05 76.58 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.433 -0.792 . . . . 0.0 112.028 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -62.38 -45.62 92.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.73 172.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.93 -44.87 94.08 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.044 0.838 . . . . 0.0 112.337 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.18 -52.19 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.053 0.842 . . . . 0.0 111.075 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.84 -39.64 85.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -61.86 -47.17 86.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.444 1.098 . . . . 0.0 112.421 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.97 -41.75 86.32 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.834 1.197 . . . . 0.0 111.799 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -37.81 84.82 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -49.24 64.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.781 0.832 . . . . 0.0 112.53 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.98 -27.68 67.05 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.277 1.031 . . . . 0.0 113.145 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.16 -27.2 68.79 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.71 -9.61 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 118.155 2.65 . . . . 0.0 118.155 -169.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.46 -33.07 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 125.525 1.53 . . . . 0.0 112.965 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 63.17 10.91 4.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 126.36 1.864 . . . . 0.0 115.969 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 99.57 3.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.165 1.786 . . . . 0.0 109.977 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.95 -40.03 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.2 1.0 . . . . 0.0 112.814 -168.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -60.73 -47.32 86.8 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.046 0.839 . . . . 0.0 112.594 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -66.18 -41.98 89.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.588 1.155 . . . . 0.0 111.79 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.1 -46.46 85.49 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.579 0.752 . . . . 0.0 112.385 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.47 -43.58 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 119.171 0.896 . . . . 0.0 111.477 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.7 -50.54 68.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.425 1.011 . . . . 0.0 111.363 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -61.05 -44.08 97.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.762 1.625 . . . . 0.0 112.779 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.59 -48.12 80.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.577 1.551 . . . . 0.0 112.011 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.31 -46.33 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.383 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.52 -54.65 41.34 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.037 0.835 . . . . 0.0 111.487 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -57.91 -39.72 78.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.313 1.445 . . . . 0.0 113.21 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -82.2 -26.22 33.53 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 mm -79.0 -38.76 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.304 1.042 . . . . 0.0 112.091 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.9 tt -148.83 144.06 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 124.009 0.924 . . . . 0.0 112.474 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -121.45 29.6 7.15 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.642 1.577 . . . . 0.0 112.437 -167.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -68.55 26.44 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 127.663 2.385 . . . . 0.0 116.438 -174.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -59.7 156.63 13.44 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.046 1.738 . . . . 0.0 112.56 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.94 -32.46 0.19 Allowed Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.054 0.835 . . . . 0.0 114.77 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -141.2 148.04 39.33 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.308 1.443 . . . . 0.0 110.25 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -62.82 129.97 42.82 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.104 0.962 . . . . 0.0 112.032 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -155.61 153.03 29.46 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.528 1.531 . . . . 0.0 109.983 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.97 140.36 55.72 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.794 0.837 . . . . 0.0 112.84 171.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.6 t -159.16 65.8 0.4 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.0 1.32 . . . . 0.0 110.346 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.6 p -159.68 168.83 25.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.165 1.786 . . . . 0.0 111.805 -172.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.6 pt -136.45 169.52 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.684 1.594 . . . . 0.0 111.793 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.816 1.646 . . . . 0.0 113.775 179.15 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 tptt . . . . . 0 N--CA 1.499 1.992 0 CA-C-O 119.547 -0.263 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 150.17 37.5 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.792 0.837 . . . . 0.0 111.49 172.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -127.77 140.8 51.83 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.449 1.499 . . . . 0.0 110.698 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -136.0 122.1 20.23 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.73 2.012 . . . . 0.0 109.584 -172.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.57 153.61 17.63 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.47 -0.769 . . . . 0.0 112.294 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -133.85 129.63 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.815 2.046 . . . . 0.0 108.645 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 64.6 p -140.15 141.03 36.09 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.524 1.13 . . . . 0.0 111.491 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -163.46 -178.78 6.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.979 1.312 . . . . 0.0 112.027 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -127.2 154.15 45.19 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.363 1.465 . . . . 0.0 112.213 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -134.74 167.36 20.99 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.4 2.28 . . . . 0.0 110.969 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.0 t -79.26 158.99 27.46 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.331 1.452 . . . . 0.0 111.373 168.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -44.78 79.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.496 1.119 . . . . 0.0 111.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.11 -46.72 61.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.715 0.806 . . . . 0.0 112.573 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.2 -36.63 77.47 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.254 -0.903 . . . . 0.0 111.803 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -65.7 -41.71 92.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.687 0.676 . . . . 0.0 112.086 171.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.57 -44.08 85.03 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.53 1.059 . . . . 0.0 112.816 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.76 -50.7 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.386 0.674 . . . . 0.0 111.133 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.12 -42.58 90.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.777 0.717 . . . . 0.0 112.081 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.44 -37.19 86.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.414 1.086 . . . . 0.0 112.812 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.1 -51.36 61.76 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.609 1.095 . . . . 0.0 111.499 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.67 -31.51 72.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.207 0.603 . . . . 0.0 112.348 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -59.13 4.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.035 0.934 . . . . 0.0 111.467 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.21 -25.34 32.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.25 1.42 . . . . 0.0 114.456 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -54.08 -25.67 23.02 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 169.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -154.26 -30.74 0.11 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.19 83.91 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 127.675 2.39 . . . . 0.0 108.385 -176.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.46 -18.53 29.41 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -68.02 91.25 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.704 1.202 . . . . 0.0 111.039 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.0 -42.41 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.774 1.229 . . . . 0.0 112.43 -172.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -65.99 -39.42 90.32 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.44 -0.788 . . . . 0.0 113.058 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -67.12 -41.1 86.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.928 0.785 . . . . 0.0 111.746 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.5 -45.44 84.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.36 -44.24 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.172 0.896 . . . . 0.0 111.594 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.19 -49.56 66.46 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.311 0.96 . . . . 0.0 111.071 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -60.91 -46.1 92.01 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.757 1.623 . . . . 0.0 112.735 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.6 -47.9 75.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.116 1.366 . . . . 0.0 112.471 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -65.18 -51.13 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 123.179 0.591 . . . . 0.0 110.012 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.23 -57.85 9.07 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.017 0.927 . . . . 0.0 111.582 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -65.08 -28.08 69.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.02 0.928 . . . . 0.0 113.467 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.2 m -77.65 -39.79 43.9 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.947 0.499 . . . . 0.0 111.854 174.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 mm -72.59 -40.1 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.245 1.018 . . . . 0.0 112.156 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 tt -156.4 153.18 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.815 1.246 . . . . 0.0 111.884 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -129.42 -16.17 3.95 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -135.98 49.57 2.12 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.052 1.741 . . . . 0.0 111.338 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -55.0 158.14 2.94 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.779 1.631 . . . . 0.0 114.138 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.08 -8.83 56.48 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.648 1.118 . . . . 0.0 114.874 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -60.38 142.45 54.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.067 1.347 . . . . 0.0 112.043 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.18 173.47 9.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.566 1.146 . . . . 0.0 112.979 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -141.75 -173.76 3.88 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.484 1.514 . . . . 0.0 112.39 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -125.14 174.12 8.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.013 1.725 . . . . 0.0 111.006 172.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 71.3 p -76.56 2.61 13.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.4 1.48 . . . . 0.0 114.993 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -58.82 158.82 7.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.596 1.958 . . . . 0.0 114.077 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.16 136.95 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.683 1.593 . . . . 0.0 109.358 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.315 1.446 . . . . 0.0 113.402 177.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 tptm . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 119.615 -0.231 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -106.53 2.06 25.87 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 116.951 2.204 . . . . 0.0 116.951 -164.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -74.78 128.79 36.41 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.036 0.934 . . . . 0.0 110.722 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -134.06 111.41 10.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.553 1.941 . . . . 0.0 109.718 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.9 p -81.69 156.23 25.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -166.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.82 128.73 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.58 1.552 . . . . 0.0 108.726 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 p -142.79 141.06 31.6 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.166 0.986 . . . . 0.0 110.475 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -164.68 -176.02 4.09 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.041 1.336 . . . . 0.0 111.851 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -121.3 158.69 27.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.708 1.603 . . . . 0.0 112.051 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.78 172.31 13.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.225 2.21 . . . . 0.0 110.329 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.57 166.34 22.66 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 172.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -61.1 -52.33 65.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.643 0.777 . . . . 0.0 111.906 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.18 -35.89 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.763 0.825 . . . . 0.0 111.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.64 -49.97 75.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.195 0.998 . . . . 0.0 112.032 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -67.88 -36.41 80.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 119.091 -0.48 . . . . 0.0 111.995 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.84 -41.36 97.72 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.37 0.986 . . . . 0.0 113.392 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.87 -47.57 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.357 -0.839 . . . . 0.0 110.803 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.95 -35.6 75.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.021 0.828 . . . . 0.0 112.265 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -65.21 -37.78 88.37 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.954 1.252 . . . . 0.0 112.71 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.43 -50.91 67.95 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.593 1.542 . . . . 0.0 111.721 171.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.88 -37.17 73.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.33 1.052 . . . . 0.0 112.285 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.01 19.94 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.999 1.32 . . . . 0.0 112.074 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.93 -21.1 42.17 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.163 1.785 . . . . 0.0 114.141 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -48.28 -26.53 2.03 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 163.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.99 -37.77 0.1 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -151.51 92.47 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 127.53 2.332 . . . . 0.0 108.241 -174.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.56 -17.67 55.99 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 -165.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -70.18 101.36 1.85 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.837 1.255 . . . . 0.0 111.953 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.8 t -54.06 -39.53 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.55 1.14 . . . . 0.0 113.146 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -40.73 94.05 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.283 0.947 . . . . 0.0 113.233 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -66.98 -41.46 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.617 -0.677 . . . . 0.0 111.371 172.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.67 -46.01 88.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.417 0.687 . . . . 0.0 112.308 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.73 -44.25 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 111.371 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.85 -48.53 77.87 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.39 0.995 . . . . 0.0 112.098 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -62.58 -46.57 87.72 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.783 1.233 . . . . 0.0 111.843 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -52.25 -48.11 65.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.887 1.675 . . . . 0.0 112.139 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.81 -50.29 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.214 1.006 . . . . 0.0 110.935 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.31 -12.06 12.24 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -117.38 1.4 12.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.777 1.631 . . . . 0.0 114.299 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.71 -34.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -24.34 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 121.287 -0.883 . . . . 0.0 111.021 169.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.1 tp -146.16 158.51 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 127.712 2.405 . . . . 0.0 108.585 175.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -146.66 60.67 1.21 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.617 1.167 . . . . 0.0 110.523 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -132.66 47.72 2.48 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.569 1.548 . . . . 0.0 112.09 -166.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 164.97 1.66 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.781 1.632 . . . . 0.0 113.44 175.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.07 -14.57 0.27 Allowed Glycine 0 CA--C 1.536 1.401 0 N-CA-C 116.138 1.215 . . . . 0.0 116.138 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 t -148.1 176.22 10.38 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 118.826 1.313 . . . . 0.0 112.403 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -144.11 155.92 44.14 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.386 1.875 . . . . 0.0 110.854 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -71.73 162.82 28.87 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.419 1.088 . . . . 0.0 112.026 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.66 -5.5 40.88 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.337 1.055 . . . . 0.0 113.605 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 t -156.72 105.77 2.24 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.552 1.941 . . . . 0.0 109.531 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.8 m -130.58 160.57 33.79 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.448 1.899 . . . . 0.0 111.055 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.5 pt -135.6 159.72 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.741 1.216 . . . . 0.0 112.741 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 126.906 2.082 . . . . 0.0 111.652 174.383 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt . . . . . 0 N--CA 1.499 1.98 0 N-CA-C 111.233 0.086 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -128.44 146.54 50.77 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.558 1.543 . . . . 0.0 110.853 171.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -147.2 161.4 40.99 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.233 1.813 . . . . 0.0 110.957 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -113.16 120.42 41.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.3 1.84 . . . . 0.0 109.516 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.1 p -90.76 158.83 16.64 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.67 123.52 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.628 1.571 . . . . 0.0 108.462 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -143.99 116.23 8.47 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.317 1.047 . . . . 0.0 112.308 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.48 -169.46 3.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.655 1.182 . . . . 0.0 112.763 -173.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -132.37 153.37 50.84 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.558 1.543 . . . . 0.0 112.893 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.0 mt -133.89 178.46 6.93 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.343 2.257 . . . . 0.0 109.822 170.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -86.59 153.33 21.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 112.144 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -49.86 -53.62 24.6 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.283 1.433 . . . . 0.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.11 -40.37 78.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.785 0.434 . . . . 0.0 112.091 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.53 -49.87 75.82 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.27 1.028 . . . . 0.0 111.555 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.1 -43.51 98.68 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.592 0.757 . . . . 0.0 112.211 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.18 -49.79 74.88 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.798 0.839 . . . . 0.0 112.443 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.49 -46.02 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.273 0.629 . . . . 0.0 111.468 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.78 -36.76 85.35 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.949 0.795 . . . . 0.0 112.637 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -66.21 -38.99 89.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.897 1.279 . . . . 0.0 112.367 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -64.61 -43.41 93.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.203 1.001 . . . . 0.0 111.902 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.41 95.4 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.624 0.77 . . . . 0.0 111.811 173.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.96 76.11 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.473 0.709 . . . . 0.0 112.024 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.22 -32.63 66.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.454 1.102 . . . . 0.0 113.367 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -150.74 -7.89 0.27 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -169.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 83.8 t -137.05 -25.94 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.39 1.476 . . . . 0.0 113.359 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 68.36 -2.33 1.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.461 2.304 . . . . 0.0 116.559 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 57.9 m -141.19 123.23 15.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.345 1.458 . . . . 0.0 111.492 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.66 -41.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.624 0.77 . . . . 0.0 112.152 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -59.94 -49.78 76.33 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.564 0.62 . . . . 0.0 112.169 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.4 p -73.28 -33.32 65.17 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.517 0.727 . . . . 0.0 112.17 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.14 -50.59 73.46 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.164 0.893 . . . . 0.0 112.625 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.68 -40.93 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.789 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -52.71 -49.5 65.26 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.243 1.383 . . . . 0.0 112.403 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -60.23 -46.17 90.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.088 1.755 . . . . 0.0 112.592 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.81 -51.85 67.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.879 0.871 . . . . 0.0 112.389 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.86 -41.18 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.606 1.163 . . . . 0.0 111.317 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.96 -61.7 2.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.417 0.687 . . . . 0.0 110.803 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.57 -46.77 86.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.983 0.913 . . . . 0.0 113.079 -171.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -70.02 -31.4 69.03 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mm -75.54 -43.86 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.757 0.823 . . . . 0.0 111.145 173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 18.5 tt -153.61 128.57 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 122.617 1.199 . . . . 0.0 112.551 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -82.77 56.57 3.44 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.355 1.462 . . . . 0.0 112.162 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -131.23 58.03 1.73 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.18 1.792 . . . . 0.0 111.537 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -59.52 165.69 2.77 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.435 1.494 . . . . 0.0 113.225 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.76 3.43 30.31 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.632 1.111 . . . . 0.0 115.323 172.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 23.5 p -64.2 155.75 30.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.955 1.302 . . . . 0.0 112.92 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -66.34 156.44 34.46 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.592 0.757 . . . . 0.0 112.55 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -70.47 144.37 51.44 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -160.54 164.11 32.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.497 2.319 . . . . 0.0 110.081 166.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.9 24.75 3.51 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.961 1.304 . . . . 0.0 113.906 -169.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.0 p -80.16 1.25 28.89 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.775 1.63 . . . . 0.0 114.917 -175.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 18.0 tt -147.91 158.49 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 126.24 1.816 . . . . 0.0 110.962 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.319 1.848 . . . . 0.0 111.46 179.784 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 119.874 -0.108 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -137.54 166.48 23.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.071 1.748 . . . . 0.0 111.785 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -133.0 145.9 51.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.144 1.778 . . . . 0.0 109.357 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.95 106.19 7.9 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.232 1.413 . . . . 0.0 110.206 -166.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 t -87.31 159.81 18.63 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -170.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.67 130.04 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 127.686 2.394 . . . . 0.0 108.506 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -144.41 118.77 9.61 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.478 1.111 . . . . 0.0 112.221 -169.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -152.94 -178.76 7.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.749 -1.219 . . . . 0.0 113.994 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -123.26 153.94 39.48 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.209 1.804 . . . . 0.0 112.877 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -141.45 171.83 13.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 128.859 2.864 . . . . 0.0 110.499 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -81.51 161.38 23.64 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.044 0.938 . . . . 0.0 111.886 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.99 -51.56 68.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.656 1.182 . . . . 0.0 113.099 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.09 -39.54 86.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.05 0.54 . . . . 0.0 111.651 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.55 -49.85 75.93 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.173 1.389 . . . . 0.0 112.057 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -63.85 -40.63 97.03 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.98 -39.09 88.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.701 0.8 . . . . 0.0 112.824 173.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.49 -46.63 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.486 -0.759 . . . . 0.0 111.27 170.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.41 -41.42 97.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.693 1.133 . . . . 0.0 112.638 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -56.8 -48.59 77.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.873 1.269 . . . . 0.0 111.756 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -62.29 -50.65 70.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.035 0.934 . . . . 0.0 111.936 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.46 -40.13 85.87 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.535 0.734 . . . . 0.0 112.291 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.31 70.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.053 0.541 . . . . 0.0 112.325 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.96 -35.66 73.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.135 0.974 . . . . 0.0 113.251 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.45 -13.65 62.22 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -136.83 -41.4 0.6 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -167.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -143.54 -0.42 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 125.378 1.471 . . . . 0.0 114.749 -166.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 72.1 -22.83 0.2 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.826 2.45 . . . . 0.0 116.286 174.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -137.79 138.23 39.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.294 1.406 . . . . 0.0 114.417 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.02 -35.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.841 0.856 . . . . 0.0 111.887 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -60.15 -44.51 94.91 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.238 0.926 . . . . 0.0 111.719 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.4 m -76.52 -35.16 58.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -55.0 -51.87 64.89 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.66 0.664 . . . . 0.0 111.985 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.1 -43.05 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.352 -0.833 . . . . 0.0 111.741 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -42.1 93.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.293 1.406 . . . . 0.0 112.043 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -68.1 -36.81 80.38 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.13 -48.59 75.92 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.439 1.018 . . . . 0.0 111.901 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.66 -47.49 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 110.9 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.34 -54.1 44.9 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.171 0.989 . . . . 0.0 111.008 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -56.18 -59.34 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.176 0.99 . . . . 0.0 111.681 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 t -71.34 -15.37 62.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -113.83 -27.33 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.559 1.144 . . . . 0.0 112.368 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.71 60.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 123.153 1.454 . . . . 0.0 111.337 -168.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -54.92 -15.29 1.88 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.372 1.469 . . . . 0.0 114.774 169.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.38 8.0 0.69 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.065 1.746 . . . . 0.0 114.919 167.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.7 tttp 55.44 63.8 1.97 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.825 2.45 . . . . 0.0 112.971 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.58 172.57 9.81 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.353 0.977 . . . . 0.0 114.314 173.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.3 p -66.52 162.52 20.58 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.849 1.259 . . . . 0.0 113.036 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -145.95 169.07 19.36 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.743 1.217 . . . . 0.0 112.196 -171.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -126.66 55.43 1.53 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.474 1.909 . . . . 0.0 111.034 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -143.95 24.47 1.66 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.635 1.574 . . . . 0.0 111.989 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -146.68 36.58 0.97 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.141 1.376 . . . . 0.0 111.979 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.8 p -125.2 4.64 7.83 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.71 1.604 . . . . 0.0 114.415 -168.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.6 mm -133.43 138.5 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 126.548 1.939 . . . . 0.0 109.126 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.7 m120 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.481 1.513 . . . . 0.0 113.586 -179.651 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.7 tptm . . . . . 0 N--CA 1.498 1.954 0 CA-C-O 119.39 -0.338 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -126.12 0.33 7.16 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -141.19 137.04 32.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.659 1.584 . . . . 0.0 111.183 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -138.14 140.32 39.82 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.668 1.987 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -119.23 154.71 32.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -161.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -138.21 130.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.169 1.388 . . . . 0.0 109.294 -175.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p -143.36 132.86 23.53 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.747 1.219 . . . . 0.0 111.019 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -162.68 154.62 18.42 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.904 0.882 . . . . 0.0 113.207 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.65 152.06 30.19 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 168.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -130.52 176.0 8.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.181 2.592 . . . . 0.0 109.792 165.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 67.7 m -85.37 158.77 20.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.032 0.933 . . . . 0.0 112.311 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.59 -53.72 54.96 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.275 1.03 . . . . 0.0 113.375 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.06 -35.27 76.36 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.749 0.419 . . . . 0.0 112.008 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.45 -50.35 73.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.673 1.189 . . . . 0.0 111.883 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -63.89 -36.72 84.86 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.74 -0.6 . . . . 0.0 112.548 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -40.78 96.07 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.206 -0.934 . . . . 0.0 113.16 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.83 -46.97 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.782 170.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.24 -41.05 87.8 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.746 0.703 . . . . 0.0 112.203 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -59.94 -43.33 95.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.699 1.2 . . . . 0.0 112.135 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -65.76 -49.22 69.18 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.906 1.23 . . . . 0.0 112.805 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.93 -37.7 74.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.57 0.748 . . . . 0.0 112.334 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.1 34.87 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.661 1.184 . . . . 0.0 111.733 171.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.45 -22.2 61.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.58 1.952 . . . . 0.0 114.711 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.64 -19.23 5.67 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 164.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -140.86 -53.29 0.48 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.86 1.264 . . . . 0.0 113.92 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -152.84 100.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 127.998 2.519 . . . . 0.0 107.517 -175.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -61.24 -9.13 4.45 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 -170.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.3 m -63.6 86.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.41 1.884 . . . . 0.0 112.712 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -50.18 -43.99 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.223 1.409 . . . . 0.0 113.292 -174.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -63.83 -45.15 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 m -64.45 -42.21 96.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.736 0.814 . . . . 0.0 111.823 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.91 -48.24 82.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.486 1.114 . . . . 0.0 112.305 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.01 -42.76 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.122 0.969 . . . . 0.0 111.405 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.18 -48.73 75.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.062 0.846 . . . . 0.0 111.741 173.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -45.79 92.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.458 1.503 . . . . 0.0 111.732 176.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -56.68 -49.67 74.41 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.513 1.525 . . . . 0.0 112.776 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.94 -44.76 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.485 0.714 . . . . 0.0 110.821 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.78 -57.47 10.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.814 0.846 . . . . 0.0 110.903 173.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.14 -26.58 68.4 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.2 m -77.14 -23.83 51.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.69 0.796 . . . . 0.0 112.951 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -119.45 -23.12 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.061 0.944 . . . . 0.0 112.534 -168.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.5 mp -132.4 134.41 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 126.361 1.865 . . . . 0.0 109.606 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -127.59 -33.41 2.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -161.14 115.94 2.09 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.405 1.882 . . . . 0.0 109.985 174.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -143.07 19.45 1.94 Allowed 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.17 -177.68 34.77 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.728 1.156 . . . . 0.0 114.489 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 41.2 p -117.4 -23.36 7.81 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.634 1.574 . . . . 0.0 113.853 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -147.42 167.03 25.42 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.801 2.04 . . . . 0.0 111.556 -174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -151.59 173.06 15.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.524 1.13 . . . . 0.0 113.249 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -137.4 128.78 28.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.929 1.691 . . . . 0.0 109.726 173.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 77.3 p -144.78 17.97 1.63 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -164.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.7 p -60.79 161.13 8.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.859 1.264 . . . . 0.0 113.858 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.39 35.7 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 125.552 1.541 . . . . 0.0 110.765 -172.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 127.367 2.267 . . . . 0.0 113.663 -173.781 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 119.957 -0.068 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -135.61 163.63 29.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.638 1.575 . . . . 0.0 112.293 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -132.54 150.75 52.11 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.114 1.766 . . . . 0.0 110.577 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -136.03 146.06 46.73 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.873 1.669 . . . . 0.0 110.027 -166.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.15 156.65 31.89 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -163.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.2 t -138.3 127.44 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.023 1.329 . . . . 0.0 109.048 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.3 p -142.06 137.3 30.96 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.754 1.222 . . . . 0.0 111.783 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -166.81 -173.28 2.35 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.33 1.452 . . . . 0.0 111.826 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.1 151.4 48.69 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.663 1.585 . . . . 0.0 112.514 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -133.73 172.57 12.59 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 127.015 2.126 . . . . 0.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -84.03 162.49 20.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.865 1.266 . . . . 0.0 111.721 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -55.26 -54.18 46.73 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.094 0.958 . . . . 0.0 112.833 -176.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.69 -34.63 72.18 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.0 -52.67 64.37 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.822 -0.549 . . . . 0.0 110.673 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -61.91 -38.63 89.12 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -60.89 -43.61 98.25 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.081 0.855 . . . . 0.0 113.065 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -62.84 -49.95 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.972 0.806 . . . . 0.0 110.94 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.87 -39.21 84.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.756 0.707 . . . . 0.0 111.86 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.19 -45.43 93.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.366 1.067 . . . . 0.0 112.205 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -62.51 -48.35 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.097 1.317 . . . . 0.0 111.856 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.64 -33.33 74.81 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.811 0.844 . . . . 0.0 112.318 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.68 -51.26 36.1 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.648 0.658 . . . . 0.0 112.186 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -59.68 -21.66 60.87 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 113.61 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -51.87 -34.58 41.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 167.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -162.77 -27.6 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.07 -31.24 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.048 1.339 . . . . 0.0 112.506 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 69.21 5.57 5.18 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.495 1.918 . . . . 0.0 115.759 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.4 p -152.1 133.29 14.37 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.953 -1.092 . . . . 0.0 113.535 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 m -61.69 -38.68 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -65.39 -49.93 67.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.763 0.71 . . . . 0.0 112.078 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -67.0 -36.76 82.86 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.118 0.567 . . . . 0.0 111.829 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.76 -52.94 62.96 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 173.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.67 -40.98 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.999 0.818 . . . . 0.0 111.318 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -49.98 -57.29 7.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.321 1.049 . . . . 0.0 111.614 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -64.06 -40.83 97.14 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.37 1.068 . . . . 0.0 112.601 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -56.13 -49.86 72.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.581 1.552 . . . . 0.0 112.222 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.32 -44.54 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.75 -49.14 76.13 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.778 0.717 . . . . 0.0 112.402 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -62.92 -32.71 74.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.2 m -76.43 -34.57 58.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.742 0.817 . . . . 0.0 112.948 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.4 mm -105.94 -63.67 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.892 0.877 . . . . 0.0 111.983 -169.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -164.07 136.48 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.615 1.166 . . . . 0.0 112.283 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -159.59 159.69 33.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.167 2.187 . . . . 0.0 108.824 173.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -143.54 83.4 1.77 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.119 1.368 . . . . 0.0 110.763 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.2 tttm 53.57 27.91 7.22 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 126.168 1.787 . . . . 0.0 113.009 -169.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.48 -166.22 20.29 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 126.165 1.841 . . . . 0.0 112.656 -171.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 t -160.15 172.36 17.58 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.284 1.833 . . . . 0.0 110.437 165.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.82 118.77 7.07 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.545 1.138 . . . . 0.0 111.824 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -142.24 172.84 12.14 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.846 2.058 . . . . 0.0 110.535 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -140.27 150.02 43.55 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.735 1.214 . . . . 0.0 111.843 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.7 p -143.68 13.82 1.73 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.603 1.561 . . . . 0.0 113.562 -177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.9 m -76.7 2.29 14.66 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.5 tt -146.16 148.27 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.791 1.636 . . . . 0.0 111.003 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.352 1.461 . . . . 0.0 113.217 178.005 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 111.248 0.092 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -110.83 1.95 18.0 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.365 1.466 . . . . 0.0 114.603 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -139.12 139.57 37.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.562 1.945 . . . . 0.0 109.624 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.76 108.78 11.03 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.482 . . . . 0.0 109.862 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.2 p -80.47 158.86 25.76 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -168.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.36 135.25 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.414 1.485 . . . . 0.0 108.68 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -154.25 122.76 6.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.549 1.14 . . . . 0.0 110.998 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -154.91 177.89 10.79 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.348 1.059 . . . . 0.0 113.471 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -126.6 152.19 46.96 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.926 1.691 . . . . 0.0 112.728 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -142.36 179.88 6.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.156 2.582 . . . . 0.0 110.409 -173.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -83.64 161.63 21.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.158 0.983 . . . . 0.0 111.8 170.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.52 -42.19 82.34 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.232 0.613 . . . . 0.0 112.014 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.27 -49.2 78.03 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.902 0.881 . . . . 0.0 111.714 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.52 -44.4 90.98 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.505 -0.747 . . . . 0.0 111.842 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -62.75 -39.53 94.45 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.78 -41.21 99.15 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.712 1.142 . . . . 0.0 113.266 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.81 -48.95 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.515 -0.741 . . . . 0.0 110.953 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.8 -38.53 91.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.026 0.83 . . . . 0.0 112.812 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.08 -53.04 61.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.888 1.275 . . . . 0.0 111.046 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.56 -49.16 74.53 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.406 0.682 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 35.0 tp -61.19 -37.27 82.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.33 1.052 . . . . 0.0 112.424 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.43 -55.02 10.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.969 0.907 . . . . 0.0 111.769 170.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.95 -24.4 37.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 114.707 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -50.67 -26.41 5.43 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 166.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -140.13 -35.9 0.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.83 97.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 127.929 2.492 . . . . 0.0 109.884 -172.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -53.44 -22.51 7.95 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 t -69.44 96.03 0.86 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.026 1.33 . . . . 0.0 111.9 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 86.3 t -57.59 -39.76 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.863 0.865 . . . . 0.0 111.802 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -63.57 -43.09 98.03 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.264 -0.897 . . . . 0.0 112.92 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -65.0 -43.77 91.45 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.883 0.765 . . . . 0.0 111.836 173.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -56.88 -50.04 73.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.817 0.847 . . . . 0.0 112.295 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.06 -41.84 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 118.753 0.706 . . . . 0.0 111.503 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.38 -52.22 64.26 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.372 0.987 . . . . 0.0 111.624 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -60.45 -42.57 96.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.529 1.132 . . . . 0.0 112.732 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -56.27 -47.53 78.39 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.443 1.497 . . . . 0.0 112.441 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.58 -50.76 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.165 0.986 . . . . 0.0 110.698 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -53.77 -51.8 62.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.069 0.547 . . . . 0.0 111.517 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.69 97.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.353 1.061 . . . . 0.0 112.982 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.1 m -72.76 -38.77 67.22 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mp -93.24 -25.59 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.201 0.909 . . . . 0.0 112.609 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 30.4 mt -130.28 112.59 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-O 122.569 1.176 . . . . 0.0 110.934 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -72.32 -38.89 68.58 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.586 1.155 . . . . 0.0 113.192 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -143.6 104.14 4.17 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.832 2.053 . . . . 0.0 109.67 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -56.06 155.12 6.74 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.774 1.63 . . . . 0.0 112.821 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.28 -19.92 79.27 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.204 0.907 . . . . 0.0 114.507 174.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 5.8 m -141.79 148.32 38.71 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.655 1.582 . . . . 0.0 110.131 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -77.91 -5.58 51.51 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -172.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.56 154.53 35.9 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.062 1.345 . . . . 0.0 113.373 -176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -157.27 177.05 11.9 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.2 1.8 . . . . 0.0 111.928 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -129.29 19.64 5.82 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.267 1.427 . . . . 0.0 113.409 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 t -81.29 47.29 1.01 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.151 1.781 . . . . 0.0 112.17 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -65.14 166.48 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 125.251 1.42 . . . . 0.0 113.849 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 t30 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.048 1.739 . . . . 0.0 111.634 -179.791 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 tptm . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 119.637 -0.221 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.28 158.56 16.94 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.375 1.07 . . . . 0.0 113.327 -177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -125.37 149.81 47.79 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.971 1.708 . . . . 0.0 111.262 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -141.08 146.54 37.27 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.451 2.3 . . . . 0.0 110.467 -167.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.53 157.9 26.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -138.21 126.29 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 108.948 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 p -143.01 127.97 18.42 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.673 1.189 . . . . 0.0 112.0 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -158.78 -174.62 4.86 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.509 1.124 . . . . 0.0 112.411 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.5 150.86 48.5 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.265 1.426 . . . . 0.0 112.682 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -131.54 171.93 12.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.484 2.314 . . . . 0.0 110.469 175.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.7 m -81.32 158.13 24.83 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.13 . . . . 0.0 111.196 173.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -56.6 -48.76 76.74 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.944 0.897 . . . . 0.0 113.178 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -39.21 84.76 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.058 0.543 . . . . 0.0 112.272 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.07 -53.37 58.63 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.625 0.77 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -61.8 -38.75 89.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.819 -0.551 . . . . 0.0 112.157 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.33 -41.58 96.71 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.031 0.932 . . . . 0.0 113.217 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.17 -46.36 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.041 -1.037 . . . . 0.0 111.161 171.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.57 -39.23 83.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.92 0.782 . . . . 0.0 111.898 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -62.29 -39.62 93.58 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.265 1.026 . . . . 0.0 112.462 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -66.55 -49.29 66.92 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.632 1.105 . . . . 0.0 112.147 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.61 -36.3 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.682 0.793 . . . . 0.0 111.969 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.83 -49.73 49.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.59 1.156 . . . . 0.0 112.331 170.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.64 -19.25 47.93 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.319 1.848 . . . . 0.0 114.263 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.8 -25.63 0.79 Allowed 'General case' 0 CA--C 1.557 1.217 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 160.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.4 -43.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.534 1.534 . . . . 0.0 114.129 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 p -168.58 109.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.7 2.4 . . . . 0.0 108.737 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.96 -11.62 3.6 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -56.96 93.87 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.306 1.842 . . . . 0.0 113.594 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.7 t -55.32 -41.27 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.764 1.226 . . . . 0.0 112.95 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.26 -42.24 93.44 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.7 m -65.69 -41.1 92.8 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.742 0.817 . . . . 0.0 111.867 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.79 -44.26 94.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.463 0.705 . . . . 0.0 112.168 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.89 -43.22 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.873 0.869 . . . . 0.0 111.675 173.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.77 -49.42 73.18 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.504 1.047 . . . . 0.0 111.555 173.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -62.14 -41.04 97.88 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.623 1.169 . . . . 0.0 112.724 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.92 -48.49 79.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.213 1.405 . . . . 0.0 112.485 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.4 mt -65.2 -45.2 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.774 0.83 . . . . 0.0 110.648 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.7 mt -56.44 -52.55 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.476 0.71 . . . . 0.0 112.056 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.15 -34.87 74.16 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.4 m -73.1 -29.43 62.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.729 0.812 . . . . 0.0 112.891 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -112.73 -26.07 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.805 0.842 . . . . 0.0 113.006 -168.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.5 mm -124.3 131.32 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.544 1.538 . . . . 0.0 110.296 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -138.97 6.98 2.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.893 1.277 . . . . 0.0 113.983 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -133.64 35.63 3.38 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.278 2.231 . . . . 0.0 111.326 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.88 140.09 25.42 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.328 1.851 . . . . 0.0 112.604 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -150.15 17.66 1.05 Allowed Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.698 1.142 . . . . 0.0 114.725 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 p -142.2 161.48 37.89 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.854 2.062 . . . . 0.0 111.044 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -151.73 170.1 20.57 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.612 1.165 . . . . 0.0 112.91 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -139.48 55.62 1.67 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.024 1.73 . . . . 0.0 110.389 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -56.44 152.56 11.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t 60.6 10.39 2.55 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.174 1.79 . . . . 0.0 115.667 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 t -68.22 158.02 34.21 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.806 -1.184 . . . . 0.0 112.038 169.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.2 pt -136.38 26.21 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.867 2.067 . . . . 0.0 111.618 -175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.698 1.599 . . . . 0.0 112.57 -162.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.27 25.5 pttm . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -66.27 161.05 23.1 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 120.0 1.273 . . . . 0.0 112.813 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -138.29 133.05 32.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.709 2.004 . . . . 0.0 110.833 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -134.33 110.26 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.524 1.53 . . . . 0.0 109.851 -173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p -83.64 159.54 21.55 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -137.54 131.58 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.715 1.606 . . . . 0.0 108.332 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -152.05 121.83 6.99 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.225 1.01 . . . . 0.0 111.657 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -155.45 174.86 14.64 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.2 1.0 . . . . 0.0 113.292 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.96 151.22 45.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.791 1.636 . . . . 0.0 112.9 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 44.8 mt -140.08 178.23 7.42 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.912 2.885 . . . . 0.0 109.179 -175.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.4 p -83.68 162.59 20.68 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.71 -0.619 . . . . 0.0 112.305 171.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.35 -47.39 75.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 112.496 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.91 -38.97 79.92 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.21 0.604 . . . . 0.0 112.392 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.09 -45.79 90.45 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.474 -0.766 . . . . 0.0 111.722 172.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -63.62 -39.48 94.46 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.829 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -58.74 -44.54 90.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.575 1.079 . . . . 0.0 112.585 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.78 -51.0 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.383 -0.823 . . . . 0.0 111.077 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.1 mt -59.39 -40.15 85.66 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.569 0.622 . . . . 0.0 112.077 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.96 -42.8 99.93 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.994 1.718 . . . . 0.0 112.427 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -65.42 -51.17 62.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.774 0.83 . . . . 0.0 111.801 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.34 -34.75 74.27 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.482 0.713 . . . . 0.0 112.383 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -61.99 1.64 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.318 1.047 . . . . 0.0 111.35 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.37 -21.51 36.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.605 1.562 . . . . 0.0 114.798 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.94 -26.61 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 165.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.93 -22.0 0.19 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -148.84 93.17 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 128.017 2.527 . . . . 0.0 108.244 -172.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.68 -25.38 53.74 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.9 m -74.95 85.03 2.25 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.701 1.6 . . . . 0.0 111.987 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.18 -43.11 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.477 1.511 . . . . 0.0 113.109 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -65.6 -42.66 91.38 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -67.96 -35.61 78.68 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.913 0.885 . . . . 0.0 112.246 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.22 -49.35 78.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.768 0.827 . . . . 0.0 111.479 168.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.98 -44.28 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.163 0.892 . . . . 0.0 111.48 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.64 -51.23 63.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.117 0.967 . . . . 0.0 111.959 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -69.2 -33.54 73.5 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -57.71 -46.15 84.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.38 1.072 . . . . 0.0 112.229 170.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.0 mt -65.92 -45.74 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.657 0.783 . . . . 0.0 110.506 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -52.77 -53.43 48.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.511 0.596 . . . . 0.0 111.124 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.61 -4.74 4.45 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.5 p -124.9 8.85 8.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.439 1.496 . . . . 0.0 113.28 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.5 mm -132.74 -27.36 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 126.207 1.803 . . . . 0.0 111.564 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 45.5 mm -127.03 140.53 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 127.13 2.172 . . . . 0.0 109.156 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -136.62 55.5 1.84 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.365 1.466 . . . . 0.0 110.905 -168.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -140.18 100.52 3.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.487 1.915 . . . . 0.0 110.158 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.93 151.93 43.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.543 1.937 . . . . 0.0 111.017 -177.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.76 -15.16 0.02 OUTLIER Glycine 0 CA--C 1.538 1.491 0 N-CA-C 116.353 1.301 . . . . 0.0 116.353 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.4 p -62.29 160.41 13.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.323 1.449 . . . . 0.0 113.732 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -141.67 34.77 1.62 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.232 1.413 . . . . 0.0 112.418 -172.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -71.55 -5.49 33.7 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 -170.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -146.44 160.57 41.91 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.974 1.709 . . . . 0.0 112.075 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -146.66 14.55 1.22 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.982 1.313 . . . . 0.0 113.958 -172.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 27.5 m -56.2 142.12 38.38 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.478 1.511 . . . . 0.0 113.944 -174.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.0 pt -66.86 160.3 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.562 1.145 . . . . 0.0 113.031 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.107 1.363 . . . . 0.0 112.889 172.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.5 2.064 0 N-CA-C 111.543 0.201 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 57.08 23.23 8.23 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 127.363 2.265 . . . . 0.0 116.298 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -83.72 120.1 25.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.852 1.261 . . . . 0.0 110.328 173.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -125.36 102.52 7.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.45 1.9 . . . . 0.0 109.964 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.5 p -71.57 155.91 40.01 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -142.3 133.81 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.545 1.538 . . . . 0.0 109.147 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -143.57 138.73 29.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.686 1.194 . . . . 0.0 110.531 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -163.15 154.44 17.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -75.99 152.72 36.92 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.775 0.83 . . . . 0.0 112.806 168.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.67 175.61 9.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.925 2.49 . . . . 0.0 109.678 167.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -81.34 155.21 26.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.979 0.912 . . . . 0.0 111.53 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.12 -50.7 70.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.013 0.925 . . . . 0.0 113.195 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.79 -43.03 94.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.103 0.561 . . . . 0.0 111.794 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.42 -48.94 79.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.938 1.295 . . . . 0.0 112.39 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -59.61 -39.65 84.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.669 -0.645 . . . . 0.0 111.898 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.74 -44.41 81.56 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 m -66.27 -38.07 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 120.542 -1.349 . . . . 0.0 112.172 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.09 -37.13 86.5 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.585 -0.697 . . . . 0.0 111.635 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.56 -40.34 94.39 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.644 1.111 . . . . 0.0 112.507 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -65.17 -48.71 72.53 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 119.974 1.261 . . . . 0.0 111.981 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.85 -35.29 76.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.732 0.813 . . . . 0.0 112.312 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.36 31.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.29 1.036 . . . . 0.0 111.806 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.85 -24.99 55.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.994 1.718 . . . . 0.0 114.239 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -52.21 -26.38 11.55 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.76 -48.99 0.34 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -149.12 93.79 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 127.66 2.384 . . . . 0.0 107.995 -173.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.99 -20.47 53.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -164.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -68.76 106.44 2.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.508 1.123 . . . . 0.0 112.501 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 m -50.32 -38.51 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.786 1.234 . . . . 0.0 113.95 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -72.95 -39.32 66.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -63.74 -44.11 94.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.789 0.835 . . . . 0.0 111.313 170.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.03 -45.64 90.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.845 0.858 . . . . 0.0 112.54 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.24 -43.64 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.401 -0.812 . . . . 0.0 111.974 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -56.1 -45.44 79.43 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.75 -1.219 . . . . 0.0 111.587 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -64.1 -40.82 97.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.144 1.378 . . . . 0.0 113.245 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -56.74 -46.7 81.21 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.259 1.023 . . . . 0.0 112.196 171.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.63 -51.91 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.151 0.981 . . . . 0.0 110.683 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -39.9 92.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.697 0.681 . . . . 0.0 111.954 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.13 -37.13 86.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.872 0.869 . . . . 0.0 112.881 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -70.1 -31.98 69.8 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.134 0.974 . . . . 0.0 112.638 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mt -110.86 -20.14 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.95 0.9 . . . . 0.0 113.293 -168.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.29 136.1 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.74 1.616 . . . . 0.0 110.118 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -142.4 94.6 2.67 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.131 1.373 . . . . 0.0 110.295 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -146.54 65.61 1.18 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.576 1.551 . . . . 0.0 110.581 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -58.17 154.26 13.39 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.243 1.417 . . . . 0.0 112.752 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.96 -26.91 0.26 Allowed Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.753 1.168 . . . . 0.0 114.203 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.0 p -135.98 167.78 20.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.623 1.969 . . . . 0.0 111.294 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -132.91 30.59 3.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.432 1.493 . . . . 0.0 111.895 -172.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 53.21 27.3 5.86 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.876 1.67 . . . . 0.0 113.52 -165.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -65.49 -5.28 7.45 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.506 2.322 . . . . 0.0 114.941 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 t -76.42 7.61 4.24 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.423 1.489 . . . . 0.0 113.498 166.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.0 m 54.57 55.13 8.35 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.621 1.968 . . . . 0.0 113.336 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.14 147.82 25.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.496 1.519 . . . . 0.0 111.655 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 p30 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 124.932 1.293 . . . . 0.0 113.789 179.012 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -137.37 164.46 28.57 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 126.404 1.882 . . . . 0.0 111.36 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -136.55 134.55 37.62 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.878 1.671 . . . . 0.0 110.322 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.38 105.9 6.82 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.794 1.638 . . . . 0.0 110.718 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 33.1 t -88.59 159.13 18.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -168.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.98 132.64 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 127.089 2.156 . . . . 0.0 108.584 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -142.62 121.21 12.52 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.517 1.127 . . . . 0.0 112.475 -168.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -157.12 -171.45 3.64 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.487 1.115 . . . . 0.0 113.108 -170.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -127.59 144.68 51.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.319 1.448 . . . . 0.0 112.808 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 67.5 mt -119.44 170.88 8.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.607 1.963 . . . . 0.0 110.077 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -83.84 155.17 23.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.429 0.692 . . . . 0.0 111.531 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -51.42 -54.1 30.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.693 1.197 . . . . 0.0 114.224 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.22 -38.38 78.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.79 -50.42 74.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.958 1.303 . . . . 0.0 111.712 172.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.58 -43.78 98.23 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.887 0.875 . . . . 0.0 111.499 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.89 -40.6 96.89 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.51 -50.4 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.33 0.652 . . . . 0.0 111.079 172.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.71 -39.42 88.52 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.927 0.785 . . . . 0.0 112.007 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -67.53 -32.95 74.08 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.813 1.645 . . . . 0.0 113.439 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.84 -49.02 67.05 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.985 1.266 . . . . 0.0 111.495 169.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -59.9 -33.84 72.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.635 0.774 . . . . 0.0 112.213 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.81 24.05 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.189 0.996 . . . . 0.0 111.556 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.84 -24.64 52.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.843 1.657 . . . . 0.0 114.911 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -54.65 -18.89 5.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 167.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.65 -39.08 0.1 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -150.57 92.03 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 127.23 2.212 . . . . 0.0 110.008 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.28 -18.83 18.39 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.1 m -62.61 97.62 0.1 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.171 1.788 . . . . 0.0 113.149 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.91 -37.77 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -58.3 -52.87 63.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.082 0.856 . . . . 0.0 111.992 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 t -65.08 -45.87 83.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.262 1.025 . . . . 0.0 111.808 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.66 -48.23 81.78 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.43 -40.31 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.529 -0.732 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -53.03 -52.69 57.66 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.459 1.027 . . . . 0.0 111.696 170.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -57.48 -50.8 71.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.98 1.712 . . . . 0.0 112.137 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -53.8 -47.79 70.48 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.588 1.155 . . . . 0.0 112.515 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.9 mt -67.87 -45.98 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.743 0.817 . . . . 0.0 111.124 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.02 -51.02 70.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.924 0.89 . . . . 0.0 111.422 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.54 -25.7 68.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.231 1.013 . . . . 0.0 113.601 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 80.1 m -77.04 -40.75 45.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.439 0.696 . . . . 0.0 111.624 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.7 mt -68.98 -41.46 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.497 1.119 . . . . 0.0 112.095 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tp -150.78 152.36 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.777 1.231 . . . . 0.0 111.467 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -144.43 129.36 18.44 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.799 1.24 . . . . 0.0 110.638 172.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -164.74 135.86 4.18 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.064 2.545 . . . . 0.0 108.631 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -132.86 30.86 3.98 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.176 1.79 . . . . 0.0 112.786 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.68 21.43 4.23 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.054 1.788 . . . . 0.0 113.642 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 39.0 p -72.34 170.54 13.96 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.038 1.735 . . . . 0.0 112.958 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -131.28 37.24 3.74 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.402 1.481 . . . . 0.0 111.839 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -146.61 175.25 10.73 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.057 1.743 . . . . 0.0 112.07 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -137.14 166.06 24.61 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.515 1.526 . . . . 0.0 112.263 -175.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 3.7 t -139.5 35.06 2.04 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.248 1.419 . . . . 0.0 112.064 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.3 t -147.25 164.95 31.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.709 1.604 . . . . 0.0 111.561 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.45 135.69 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 126.101 1.76 . . . . 0.0 109.374 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.487 1.515 . . . . 0.0 114.139 177.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 111.357 0.132 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -126.57 4.44 6.83 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 125.331 1.452 . . . . 0.0 114.359 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -82.92 120.89 26.27 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.387 1.475 . . . . 0.0 110.019 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -127.53 142.04 51.49 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.435 1.894 . . . . 0.0 109.659 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -122.32 157.74 31.09 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.285 -0.884 . . . . 0.0 113.242 -164.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.8 t -139.69 123.94 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 109.2 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p -143.24 123.84 14.06 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.657 1.183 . . . . 0.0 112.427 -171.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.19 -172.79 3.9 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.769 1.227 . . . . 0.0 112.643 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.39 146.75 50.69 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.323 1.449 . . . . 0.0 112.553 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -127.52 171.56 11.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.065 2.146 . . . . 0.0 110.478 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -83.35 159.33 21.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.608 0.763 . . . . 0.0 112.132 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -51.91 -60.69 2.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.342 1.457 . . . . 0.0 113.373 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.86 -32.9 72.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.23 -50.81 71.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.626 1.17 . . . . 0.0 111.359 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -64.39 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.707 -0.663 . . . . 0.0 112.11 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.48 -43.01 97.42 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.572 1.078 . . . . 0.0 113.16 172.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.3 t -62.78 -47.99 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.067 0.849 . . . . 0.0 110.85 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.36 -40.29 85.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.49 0.586 . . . . 0.0 111.913 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -62.69 -44.71 95.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.153 1.381 . . . . 0.0 112.481 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.84 -49.59 75.68 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.279 0.945 . . . . 0.0 111.918 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.0 -31.45 72.36 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.89 61.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.802 0.728 . . . . 0.0 111.774 168.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -58.61 -27.48 64.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.805 1.242 . . . . 0.0 113.361 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.37 -32.53 70.22 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.14 -4.59 0.14 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.184 2.661 . . . . 0.0 118.184 -167.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.31 -32.21 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 125.844 1.658 . . . . 0.0 112.945 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.35 13.42 4.01 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.041 2.137 . . . . 0.0 116.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -139.58 90.32 2.4 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.169 1.788 . . . . 0.0 110.212 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 t -52.47 -46.39 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.846 1.258 . . . . 0.0 113.46 -165.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -66.5 -30.12 70.38 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.168 -0.957 . . . . 0.0 113.348 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -85.21 -29.25 24.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.904 0.882 . . . . 0.0 112.258 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.87 -46.37 90.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.03 0.932 . . . . 0.0 111.301 162.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.77 -43.05 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.521 -0.737 . . . . 0.0 111.516 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -53.4 26.54 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.482 1.037 . . . . 0.0 111.595 170.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -58.39 -47.06 85.08 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.516 0.726 . . . . 0.0 112.818 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -54.56 -49.18 70.96 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.496 1.119 . . . . 0.0 112.751 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.83 -53.38 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.297 0.639 . . . . 0.0 109.829 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -46.4 84.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.071 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -62.15 -47.22 85.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.871 0.76 . . . . 0.0 111.87 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.3 m -60.57 -39.43 87.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mp -80.13 -41.91 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.945 0.793 . . . . 0.0 111.807 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 tt -150.84 93.63 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 123.275 1.512 . . . . 0.0 112.566 -173.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.68 -27.6 68.81 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.807 1.243 . . . . 0.0 114.262 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -143.79 102.49 3.92 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.2 1.8 . . . . 0.0 110.334 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.01 154.79 11.95 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.09 0.956 . . . . 0.0 111.262 167.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.15 -16.39 72.08 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.02 0.819 . . . . 0.0 114.728 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -141.1 172.34 12.82 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.722 2.009 . . . . 0.0 111.586 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -143.38 159.32 42.58 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.254 1.422 . . . . 0.0 112.392 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -148.32 141.12 24.65 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.749 1.62 . . . . 0.0 109.333 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -138.29 35.0 2.3 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.381 1.073 . . . . 0.0 111.928 -162.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -69.11 6.81 0.85 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.575 1.95 . . . . 0.0 115.911 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.0 m -137.34 153.33 50.26 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.076 1.75 . . . . 0.0 111.743 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.29 18.76 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.989 1.316 . . . . 0.0 112.257 -170.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 t30 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.184 1.793 . . . . 0.0 111.592 -179.538 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mptt . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 119.921 -0.085 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -120.9 1.78 10.46 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -100.37 120.89 40.64 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.666 1.587 . . . . 0.0 109.472 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -122.62 106.66 11.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.901 1.681 . . . . 0.0 109.8 -172.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -75.98 159.11 31.19 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.65 131.08 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.881 1.672 . . . . 0.0 108.31 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.2 121.13 7.1 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.257 1.023 . . . . 0.0 111.066 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -154.12 177.97 10.49 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.243 1.017 . . . . 0.0 113.044 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.26 157.92 29.25 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.688 1.595 . . . . 0.0 112.803 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.0 mt -142.54 166.96 23.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.638 3.175 . . . . 0.0 109.924 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.5 t -76.79 153.3 35.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.039 164.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -49.53 -43.49 45.71 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.886 1.275 . . . . 0.0 112.806 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.59 -52.62 50.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.328 0.651 . . . . 0.0 112.183 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.21 -33.85 70.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.22 -0.925 . . . . 0.0 112.686 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.22 -42.75 99.59 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.725 -0.609 . . . . 0.0 111.545 169.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.41 -36.48 84.3 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.212 0.914 . . . . 0.0 113.329 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.63 -50.43 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.181 0.9 . . . . 0.0 110.876 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.34 -36.27 79.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.91 0.777 . . . . 0.0 112.292 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -64.32 -38.8 92.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.873 1.269 . . . . 0.0 112.826 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.72 -48.26 72.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.763 1.165 . . . . 0.0 111.618 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.15 -37.14 74.1 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 112.144 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -54.31 18.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.075 0.95 . . . . 0.0 112.064 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.82 -25.76 43.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.996 1.719 . . . . 0.0 114.296 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.82 -26.07 13.38 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 168.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.98 -45.05 0.34 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.0 91.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 127.935 2.494 . . . . 0.0 109.728 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.48 -17.78 15.25 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -168.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -66.37 86.92 0.11 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.24 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 t -48.66 -45.68 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 113.834 -168.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -67.47 -40.11 85.29 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.2 t -67.03 -41.02 87.31 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.098 0.959 . . . . 0.0 111.481 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.23 -49.93 72.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.907 0.883 . . . . 0.0 111.865 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.81 -45.7 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.892 0.769 . . . . 0.0 111.637 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -55.32 -51.29 67.2 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.132 0.973 . . . . 0.0 111.678 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -62.26 -41.03 98.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.827 1.251 . . . . 0.0 112.363 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -58.3 -49.06 78.5 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.676 1.59 . . . . 0.0 112.323 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.42 -45.63 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.557 0.743 . . . . 0.0 110.888 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.03 -56.23 19.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.699 0.8 . . . . 0.0 110.831 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.85 -36.84 80.15 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.628 1.171 . . . . 0.0 113.49 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 99.1 m -67.1 -29.99 69.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.909 . . . . 0.0 112.868 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt -115.08 -23.49 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.826 0.85 . . . . 0.0 112.643 -168.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.76 134.06 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.34 1.856 . . . . 0.0 109.537 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -149.48 128.28 12.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.928 0.891 . . . . 0.0 111.481 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -158.63 114.49 2.66 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.824 2.05 . . . . 0.0 109.065 176.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.24 144.21 41.76 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.687 1.195 . . . . 0.0 112.158 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.85 -29.49 1.02 Allowed Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.812 1.196 . . . . 0.0 114.025 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 29.7 p -68.43 158.7 33.1 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.107 1.363 . . . . 0.0 112.536 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -132.55 2.41 3.79 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -174.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -144.15 155.03 43.75 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.277 1.431 . . . . 0.0 111.793 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -133.72 2.4 3.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.753 1.621 . . . . 0.0 113.192 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 74.5 p -142.96 18.89 1.96 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.609 1.564 . . . . 0.0 113.662 -166.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 17.6 m -53.68 145.98 14.35 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.834 1.654 . . . . 0.0 114.091 -176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 17.6 tt -60.51 148.68 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.737 1.215 . . . . 0.0 112.628 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.491 1.516 . . . . 0.0 113.378 176.124 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.4 tptt . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 119.24 -0.409 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -70.5 165.23 23.08 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.725 1.21 . . . . 0.0 112.045 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -140.01 129.15 23.71 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.693 1.597 . . . . 0.0 110.089 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -139.57 79.12 1.7 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.141 1.776 . . . . 0.0 109.785 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -64.98 150.94 47.15 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.995 -1.066 . . . . 0.0 113.316 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.46 131.16 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 127.416 2.287 . . . . 0.0 108.305 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -141.07 143.58 34.44 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.468 1.107 . . . . 0.0 111.635 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -164.32 -177.7 5.07 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.208 1.403 . . . . 0.0 111.887 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -129.9 142.31 50.67 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.35 1.46 . . . . 0.0 111.98 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.07 170.9 11.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.047 2.139 . . . . 0.0 111.488 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.6 m -82.62 161.74 22.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.304 1.042 . . . . 0.0 112.209 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -58.82 -55.56 33.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.202 1.001 . . . . 0.0 112.925 -173.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -68.23 -38.03 81.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.14 0.976 . . . . 0.0 111.84 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.21 -52.71 64.45 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.83 1.252 . . . . 0.0 111.803 174.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.42 -38.37 89.73 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.875 -0.516 . . . . 0.0 112.196 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.67 -41.63 95.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.289 0.95 . . . . 0.0 113.076 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -63.04 -47.48 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.526 -0.734 . . . . 0.0 111.114 172.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.22 -42.57 86.55 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 0.0 111.777 174.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.55 -41.78 99.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.848 1.259 . . . . 0.0 112.334 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.46 -50.93 69.49 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.654 1.115 . . . . 0.0 111.678 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.6 -31.77 73.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.144 0.578 . . . . 0.0 112.435 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.84 -58.57 5.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.472 0.709 . . . . 0.0 111.467 168.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.0 -26.27 47.86 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.641 1.576 . . . . 0.0 114.454 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -55.85 -27.7 52.89 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 169.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -143.63 -42.58 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -173.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -146.15 85.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 127.954 2.501 . . . . 0.0 108.194 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -18.9 42.04 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.607 2.076 . . . . 0.0 116.607 -169.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -67.19 87.31 0.16 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.639 1.576 . . . . 0.0 111.808 173.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.86 -39.69 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.48 1.512 . . . . 0.0 112.698 -174.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -55.29 -52.27 63.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.307 1.043 . . . . 0.0 113.244 172.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -64.41 -44.21 91.99 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.401 1.08 . . . . 0.0 111.656 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.51 -50.05 70.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.837 0.855 . . . . 0.0 112.668 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.89 -42.99 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.593 -0.692 . . . . 0.0 111.3 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -53.36 -49.61 66.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.156 0.983 . . . . 0.0 112.086 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -62.81 -45.7 91.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.489 1.516 . . . . 0.0 112.036 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.49 -49.12 70.9 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.542 1.137 . . . . 0.0 112.784 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.54 -51.2 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.165 0.586 . . . . 0.0 109.962 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.52 -50.19 70.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.527 0.731 . . . . 0.0 111.605 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.6 m -80.53 -27.81 37.54 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.66 -27.15 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.164 0.893 . . . . 0.0 112.657 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.47 145.83 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.081 1.752 . . . . 0.0 109.412 -171.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -137.84 114.91 10.85 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.967 0.907 . . . . 0.0 111.887 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -149.01 44.13 0.98 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.148 1.779 . . . . 0.0 110.387 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -50.48 136.79 20.2 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.642 1.977 . . . . 0.0 113.132 -171.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.88 177.56 45.93 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.786 1.66 . . . . 0.0 112.46 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.7 p -58.9 132.04 52.78 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.006 0.922 . . . . 0.0 111.823 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -156.16 164.55 38.24 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.681 1.192 . . . . 0.0 112.614 -172.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -156.31 166.24 34.02 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.69 1.596 . . . . 0.0 111.466 174.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -148.68 170.56 17.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.744 1.217 . . . . 0.0 112.145 169.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 m -132.01 25.26 4.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.29 1.436 . . . . 0.0 112.418 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -64.01 154.94 32.63 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.894 0.877 . . . . 0.0 113.076 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 tt -61.22 143.94 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.764 1.226 . . . . 0.0 112.036 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.255 1.422 . . . . 0.0 113.351 178.068 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -68.52 160.86 29.05 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.413 1.085 . . . . 0.0 112.575 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -141.09 156.43 45.99 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.577 1.951 . . . . 0.0 109.913 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.83 110.76 16.29 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.716 1.607 . . . . 0.0 109.994 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p -82.21 159.94 23.13 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -168.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -137.18 137.41 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.757 1.623 . . . . 0.0 108.63 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -155.57 125.76 6.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.37 1.068 . . . . 0.0 110.779 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -157.03 156.1 32.33 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.116 0.967 . . . . 0.0 112.638 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -81.19 138.69 35.82 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.532 -0.73 . . . . 0.0 112.127 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -110.54 -177.52 3.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.428 1.491 . . . . 0.0 109.363 154.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.3 t -121.4 174.0 7.02 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.762 1.625 . . . . 0.0 111.419 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.95 -47.62 74.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.636 1.574 . . . . 0.0 113.651 -162.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.37 -52.43 40.11 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -65.79 -35.88 81.94 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.326 -0.859 . . . . 0.0 112.555 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.06 -45.66 80.55 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 118.67 0.668 . . . . 0.0 111.147 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.75 -42.1 83.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.369 1.067 . . . . 0.0 112.743 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.38 -53.2 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.582 -0.699 . . . . 0.0 111.359 172.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.07 -36.11 80.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.82 0.736 . . . . 0.0 112.587 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.62 -43.45 98.77 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.963 1.705 . . . . 0.0 112.292 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -69.01 -44.66 72.32 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.696 0.798 . . . . 0.0 112.164 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.56 -35.9 77.17 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 175.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.59 -56.27 11.5 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.601 169.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.89 -27.55 31.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.345 1.458 . . . . 0.0 114.565 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.47 -25.41 25.12 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 170.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -141.22 -39.17 0.4 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.72 96.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 127.215 2.206 . . . . 0.0 109.241 -174.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.87 -14.57 15.86 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.6 t -67.48 88.64 0.21 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.07 1.348 . . . . 0.0 111.426 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.02 -37.4 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.299 1.04 . . . . 0.0 112.626 -172.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -61.75 -49.61 75.71 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -71.97 -33.08 67.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.336 0.971 . . . . 0.0 112.088 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -57.28 -48.77 78.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.028 0.931 . . . . 0.0 112.319 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.02 -44.84 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.51 0.724 . . . . 0.0 111.086 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.13 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.129 -0.982 . . . . 0.0 112.586 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -45.34 87.96 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.17 1.388 . . . . 0.0 111.754 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.84 -48.89 77.0 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.586 1.154 . . . . 0.0 112.369 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 58.1 mt -65.17 -45.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.477 0.711 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.93 -51.75 67.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.254 1.022 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -60.55 -36.99 79.78 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.797 1.239 . . . . 0.0 113.025 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.5 m -68.29 -29.62 68.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.251 1.02 . . . . 0.0 112.948 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -116.26 -24.16 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -166.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 33.9 mm -129.46 140.43 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.96 1.704 . . . . 0.0 110.036 -174.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -142.3 94.62 2.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.347 1.459 . . . . 0.0 110.416 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -148.49 74.59 1.28 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.37 1.468 . . . . 0.0 110.918 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.14 160.49 8.14 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.324 1.45 . . . . 0.0 113.058 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.96 -38.97 0.06 OUTLIER Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.843 1.211 . . . . 0.0 113.448 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 33.1 p -138.76 150.83 46.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.355 1.862 . . . . 0.0 110.752 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -157.95 170.03 23.25 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.826 1.25 . . . . 0.0 112.397 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.97 160.3 44.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.093 1.757 . . . . 0.0 111.05 171.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -154.32 173.94 15.5 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.814 1.245 . . . . 0.0 112.877 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.7 m -130.45 27.31 5.03 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.395 1.478 . . . . 0.0 112.66 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.9 m 57.13 23.16 8.24 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.24 1.816 . . . . 0.0 115.124 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.5 148.67 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.988 1.315 . . . . 0.0 112.293 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.281 1.432 . . . . 0.0 113.501 177.146 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.499 2.02 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -125.11 10.77 8.16 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -129.86 146.64 51.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.704 1.602 . . . . 0.0 110.225 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -140.96 149.24 41.56 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.489 1.915 . . . . 0.0 110.041 -165.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.75 157.22 30.15 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.615 -0.678 . . . . 0.0 112.657 -165.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.4 t -139.4 131.66 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.245 1.418 . . . . 0.0 109.376 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 p -141.24 143.3 34.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.735 1.214 . . . . 0.0 111.123 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -165.44 -174.48 3.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.465 1.506 . . . . 0.0 111.473 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -125.23 146.18 49.64 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.811 1.244 . . . . 0.0 112.638 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.9 mt -122.77 160.47 25.89 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.06 1.744 . . . . 0.0 111.097 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 p -71.18 158.2 36.84 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.896 166.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.55 -41.6 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.771 -0.581 . . . . 0.0 111.994 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.26 -49.74 53.37 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.872 0.869 . . . . 0.0 112.546 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.75 -34.38 69.45 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.283 -0.886 . . . . 0.0 112.037 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -64.13 -43.62 94.68 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.538 171.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.43 -43.96 96.27 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.665 1.121 . . . . 0.0 112.648 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.93 -48.77 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.883 0.765 . . . . 0.0 111.262 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.9 -37.34 85.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.47 -38.51 91.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.059 1.344 . . . . 0.0 112.426 174.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -64.67 -49.95 68.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.896 1.279 . . . . 0.0 111.14 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -37.73 84.16 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.488 0.715 . . . . 0.0 111.98 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.8 68.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.977 0.911 . . . . 0.0 111.853 171.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.71 -31.72 64.77 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.458 1.026 . . . . 0.0 113.499 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.32 -8.66 19.19 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 170.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -141.14 -56.45 0.49 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.67 1.577 . . . . 0.0 114.475 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.72 94.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.98 2.912 . . . . 0.0 108.68 -173.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -10.37 8.89 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 -167.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -64.07 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.761 2.024 . . . . 0.0 112.633 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -47.17 -46.86 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 125.652 1.581 . . . . 0.0 114.406 -167.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -67.16 -33.05 74.59 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.959 -1.088 . . . . 0.0 113.366 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -73.34 -40.06 64.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 111.273 173.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -56.77 -45.97 81.78 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.654 0.781 . . . . 0.0 112.013 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -44.81 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.389 -0.82 . . . . 0.0 111.204 175.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -55.4 -46.86 76.56 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.386 0.994 . . . . 0.0 112.235 172.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -60.06 -47.45 85.82 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.666 1.587 . . . . 0.0 111.636 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -54.55 -46.72 73.7 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.524 1.53 . . . . 0.0 112.7 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.05 -48.21 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 123.605 0.762 . . . . 0.0 110.039 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tt -50.81 -59.16 4.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.874 0.87 . . . . 0.0 110.95 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -3.66 3.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 m -110.38 -10.97 14.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.144 1.378 . . . . 0.0 112.536 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.92 -22.67 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.696 1.199 . . . . 0.0 112.508 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.56 142.16 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.241 1.816 . . . . 0.0 109.963 -170.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -135.39 20.84 3.39 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -166.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -147.51 104.62 3.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.867 1.667 . . . . 0.0 110.907 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -64.78 169.23 5.28 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.318 1.447 . . . . 0.0 112.978 170.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.15 -25.99 0.06 OUTLIER Glycine 0 CA--C 1.537 1.424 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 t -151.1 175.41 12.14 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 118.757 1.279 . . . . 0.0 112.398 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -146.35 176.02 10.09 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.868 1.667 . . . . 0.0 112.418 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -140.06 39.54 1.95 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.236 1.414 . . . . 0.0 111.007 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -54.41 120.23 6.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.719 1.208 . . . . 0.0 112.844 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.5 t -168.23 110.55 0.58 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.962 1.705 . . . . 0.0 109.322 -176.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.3 p -142.15 163.62 32.36 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.384 1.474 . . . . 0.0 112.919 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.9 pt -141.07 164.56 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.156 1.782 . . . . 0.0 111.719 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 m120 . . . . . 0 C--O 1.254 1.341 0 C-N-CA 125.259 1.424 . . . . 0.0 113.068 175.093 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -64.98 162.41 16.64 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.543 1.137 . . . . 0.0 113.592 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -129.22 140.44 51.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.586 1.954 . . . . 0.0 109.591 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -128.15 104.3 7.68 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.764 1.625 . . . . 0.0 109.602 -170.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -74.8 160.87 30.16 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.03 136.42 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.717 1.607 . . . . 0.0 108.789 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.47 123.41 6.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 111.016 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -154.57 178.84 9.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.688 1.195 . . . . 0.0 112.932 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.45 150.51 50.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.603 1.561 . . . . 0.0 112.374 -172.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.06 177.22 8.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.749 2.819 . . . . 0.0 110.911 -169.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -92.1 158.08 16.39 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.388 1.075 . . . . 0.0 112.26 169.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.34 -51.47 68.14 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.351 1.06 . . . . 0.0 113.69 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -65.56 -40.11 92.43 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.627 0.771 . . . . 0.0 111.802 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -59.74 -49.39 77.9 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.099 1.36 . . . . 0.0 111.994 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.33 -44.15 97.17 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.922 -0.561 . . . . 0.0 111.424 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.45 -38.11 83.13 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.173 0.897 . . . . 0.0 113.386 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.68 -49.89 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.215 -0.928 . . . . 0.0 111.004 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.61 -37.31 80.99 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.137 0.88 . . . . 0.0 112.556 175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.4 -41.87 96.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.618 1.967 . . . . 0.0 112.378 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.82 -47.36 75.3 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.773 0.715 . . . . 0.0 111.468 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.2 -36.31 77.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.401 0.681 . . . . 0.0 112.095 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.81 -57.04 9.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.742 0.817 . . . . 0.0 111.51 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.92 -28.37 36.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.11 -20.97 60.86 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.496 1.518 . . . . 0.0 114.785 173.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -144.31 -45.37 0.25 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.2 91.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 128.273 2.629 . . . . 0.0 109.261 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -58.87 -20.2 48.95 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.1 m -66.84 92.87 0.24 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.615 1.566 . . . . 0.0 111.603 173.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.42 -39.66 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 125.039 1.336 . . . . 0.0 113.0 -172.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -57.28 -51.17 70.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.81 0.844 . . . . 0.0 113.001 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -64.89 -42.33 94.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.675 1.19 . . . . 0.0 111.835 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.67 -50.59 71.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 112.43 174.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.11 -43.27 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.735 0.698 . . . . 0.0 111.238 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.75 -50.03 69.39 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.289 0.949 . . . . 0.0 111.433 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.04 -43.56 98.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.195 1.398 . . . . 0.0 112.623 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -56.3 -47.63 78.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.135 1.374 . . . . 0.0 112.193 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.0 mt -65.71 -49.49 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tt -54.45 -50.96 66.46 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.508 0.723 . . . . 0.0 111.007 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -58.84 -40.75 85.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.332 1.053 . . . . 0.0 113.02 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.3 m -76.05 -27.07 57.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.04 -25.66 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 119.568 1.076 . . . . 0.0 112.73 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.5 60.97 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.275 1.83 . . . . 0.0 109.27 -171.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -45.99 -36.35 5.51 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.847 2.059 . . . . 0.0 114.885 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -138.12 95.39 3.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.246 1.818 . . . . 0.0 110.093 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -60.54 163.41 5.38 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.936 1.294 . . . . 0.0 113.463 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.11 -178.86 48.59 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.59 1.091 . . . . 0.0 114.859 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -142.31 168.03 20.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.541 1.937 . . . . 0.0 111.727 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -121.15 4.05 10.38 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.844 1.258 . . . . 0.0 113.571 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -153.37 156.34 38.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.083 1.753 . . . . 0.0 110.259 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -144.63 176.12 9.65 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.94 1.296 . . . . 0.0 111.877 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 50.5 m -139.86 33.9 1.98 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.96 2.104 . . . . 0.0 111.162 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 34.2 m 54.69 38.31 29.8 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.093 1.757 . . . . 0.0 113.4 -169.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mm -66.25 139.02 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.833 1.253 . . . . 0.0 111.025 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 127.602 2.361 . . . . 0.0 114.314 -179.173 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? . . . . . 0 N--CA 1.5 2.028 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -70.64 166.01 21.66 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.763 1.225 . . . . 0.0 112.549 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -133.86 134.47 42.77 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.244 1.818 . . . . 0.0 109.795 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -125.27 107.29 10.57 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.368 1.467 . . . . 0.0 110.151 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 p -78.94 159.84 27.52 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -169.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -138.03 134.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.48 1.512 . . . . 0.0 108.428 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -152.98 122.27 6.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.148 0.979 . . . . 0.0 111.189 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -155.54 -177.37 6.5 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.911 1.285 . . . . 0.0 112.425 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -122.94 152.85 40.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.363 1.465 . . . . 0.0 112.566 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -133.67 177.18 7.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.551 2.74 . . . . 0.0 109.19 173.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -105.82 168.95 8.77 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.632 1.173 . . . . 0.0 111.438 170.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -56.95 -42.97 81.03 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.913 1.285 . . . . 0.0 113.413 -166.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.82 -54.62 24.45 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.501 0.591 . . . . 0.0 112.554 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pm0 -63.95 -37.2 86.53 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.155 -0.966 . . . . 0.0 112.549 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -66.24 -41.55 89.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.114 0.87 . . . . 0.0 111.92 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.15 -42.26 94.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.334 1.054 . . . . 0.0 112.721 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.11 -50.34 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.342 0.657 . . . . 0.0 111.216 173.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.78 -42.61 97.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.845 0.748 . . . . 0.0 112.004 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -58.98 -47.01 86.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.144 1.378 . . . . 0.0 112.368 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -69.66 -43.97 71.47 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.772 0.715 . . . . 0.0 112.16 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.59 -32.15 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.277 0.631 . . . . 0.0 112.33 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 0.0 112.35 167.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.27 -31.59 65.74 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.314 1.046 . . . . 0.0 113.503 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.76 -21.46 65.85 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.5 -13.8 0.13 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 -169.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -135.92 -27.83 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 125.553 1.541 . . . . 0.0 113.118 -174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 65.17 0.5 1.3 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.841 2.164 . . . . 0.0 116.841 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.3 m -138.73 110.06 6.94 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.709 1.604 . . . . 0.0 110.235 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.13 -38.92 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.946 0.899 . . . . 0.0 112.787 -168.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -59.97 -49.51 77.4 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.385 -0.822 . . . . 0.0 112.699 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.16 -41.36 99.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.626 1.17 . . . . 0.0 111.539 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.09 -48.04 83.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.554 0.742 . . . . 0.0 112.382 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.37 -45.54 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 119.312 0.96 . . . . 0.0 111.802 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -38.66 87.92 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 120.588 1.54 . . . . 0.0 112.684 174.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.37 -40.67 93.82 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.984 1.314 . . . . 0.0 112.596 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -58.72 -48.97 79.32 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.592 1.557 . . . . 0.0 112.193 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.07 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.476 0.711 . . . . 0.0 110.743 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.5 -57.79 10.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.9 0.88 . . . . 0.0 111.25 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.17 -36.18 74.86 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.961 1.304 . . . . 0.0 113.538 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.0 m -68.15 -23.49 64.89 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.948 0.899 . . . . 0.0 113.073 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.2 mt -119.93 -25.75 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.137 0.975 . . . . 0.0 112.449 -168.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.1 mt -138.34 138.48 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 126.341 1.856 . . . . 0.0 109.489 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -140.28 103.78 4.66 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.67 1.188 . . . . 0.0 109.979 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -151.38 105.93 3.24 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.726 1.61 . . . . 0.0 109.93 -169.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -128.41 27.24 5.6 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.229 1.812 . . . . 0.0 113.359 -169.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.92 21.77 5.82 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.825 1.679 . . . . 0.0 114.325 -175.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.4 p -70.88 167.03 19.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.555 1.542 . . . . 0.0 113.199 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -131.14 17.1 5.04 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.225 1.41 . . . . 0.0 112.958 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -140.27 166.9 23.43 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.12 1.768 . . . . 0.0 111.521 -176.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -147.0 173.7 12.21 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.401 1.48 . . . . 0.0 112.529 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.7 m -110.0 13.63 23.29 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.865 1.266 . . . . 0.0 114.017 -171.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t 52.43 36.28 19.7 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.77 1.628 . . . . 0.0 114.082 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.4 tp -61.47 149.65 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.895 1.278 . . . . 0.0 112.233 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 124.968 1.307 . . . . 0.0 113.937 177.544 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 110.806 -0.072 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -62.95 166.06 6.15 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.862 1.265 . . . . 0.0 113.622 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -128.71 139.21 52.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.454 1.902 . . . . 0.0 108.628 168.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -125.16 98.03 5.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.75 1.22 . . . . 0.0 110.135 -169.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.3 p -78.09 159.45 28.66 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.1 t -141.91 125.95 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.726 1.611 . . . . 0.0 108.844 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.4 p -143.01 137.0 29.0 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.466 1.106 . . . . 0.0 111.5 -176.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -165.62 -174.81 3.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.119 1.368 . . . . 0.0 112.187 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -126.06 152.68 45.49 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.662 1.585 . . . . 0.0 112.289 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -133.81 170.71 15.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.477 2.311 . . . . 0.0 110.326 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.7 t -78.76 158.74 28.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.568 0.747 . . . . 0.0 111.879 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.24 -52.05 67.35 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.717 1.207 . . . . 0.0 112.914 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.81 -37.76 79.44 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.863 0.465 . . . . 0.0 111.791 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.17 -51.94 67.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.93 1.292 . . . . 0.0 111.968 172.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.98 -38.44 91.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.292 0.637 . . . . 0.0 112.036 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.88 -39.26 93.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.7 -46.34 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.252 -0.905 . . . . 0.0 110.986 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.74 -40.05 86.79 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.533 0.606 . . . . 0.0 111.877 173.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.53 -40.47 97.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.378 . . . . 0.0 112.851 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.02 -47.29 80.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.279 0.945 . . . . 0.0 111.735 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -37.54 87.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.013 0.525 . . . . 0.0 111.682 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.14 82.7 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.949 0.899 . . . . 0.0 111.944 170.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.88 -32.38 69.44 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.037 -1.664 . . . . 0.0 113.082 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -66.24 -25.55 66.95 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -159.92 92.37 1.01 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.033 1.733 . . . . 0.0 113.094 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 t 70.61 85.7 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 127.155 2.182 . . . . 0.0 112.991 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -51.89 -30.59 24.74 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -170.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.5 m -60.06 92.62 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.581 1.552 . . . . 0.0 112.764 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.9 -41.32 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.997 1.319 . . . . 0.0 113.349 -166.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -64.9 -41.73 95.35 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.389 -0.819 . . . . 0.0 113.033 176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -70.68 -35.27 72.73 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.867 0.867 . . . . 0.0 112.056 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.71 -48.02 83.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.16 0.984 . . . . 0.0 112.04 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.32 -43.91 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.356 -0.84 . . . . 0.0 111.687 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -51.23 -51.7 51.49 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.354 1.062 . . . . 0.0 111.691 170.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -62.72 -42.89 99.88 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 112.565 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -55.18 -48.04 74.35 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.832 1.253 . . . . 0.0 112.405 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -46.66 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 mt -55.67 -50.29 70.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.318 0.647 . . . . 0.0 111.929 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.79 -38.04 83.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.773 0.829 . . . . 0.0 112.979 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.2 m -74.18 -32.7 63.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.805 0.842 . . . . 0.0 112.965 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.35 -27.9 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.927 0.891 . . . . 0.0 113.265 -166.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 mm -129.96 88.63 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.605 1.562 . . . . 0.0 109.306 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -57.41 -31.81 66.23 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -165.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -151.35 56.15 0.87 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.191 1.396 . . . . 0.0 112.947 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -48.8 139.27 10.06 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.01 1.324 . . . . 0.0 112.282 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.02 31.98 4.19 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.485 1.516 . . . . 0.0 115.427 -173.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 3.6 m -55.51 145.66 22.31 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.369 1.468 . . . . 0.0 112.033 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.29 21.52 4.03 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.425 1.09 . . . . 0.0 113.063 -169.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -70.22 161.96 29.31 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.134 0.974 . . . . 0.0 111.775 172.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -148.17 145.71 28.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.804 1.242 . . . . 0.0 112.045 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 8.1 t -153.63 59.62 0.75 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.347 1.459 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -60.51 157.34 14.36 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.717 1.207 . . . . 0.0 113.982 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 45.6 pt -141.03 163.7 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.171 1.788 . . . . 0.0 111.572 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 t30 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.166 1.387 . . . . 0.0 113.068 175.249 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.7 tptt . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -56.36 133.56 52.97 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.177 0.991 . . . . 0.0 111.634 177.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -150.02 133.76 16.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.389 1.476 . . . . 0.0 110.464 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.94 138.62 40.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.7 1.6 . . . . 0.0 109.456 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -119.46 155.86 31.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -162.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -136.57 124.77 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.196 1.398 . . . . 0.0 108.794 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -143.63 125.62 15.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.419 1.087 . . . . 0.0 111.375 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.89 -174.88 4.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.621 1.169 . . . . 0.0 112.649 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -130.69 152.11 50.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.687 1.595 . . . . 0.0 112.923 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.28 172.63 12.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.549 2.34 . . . . 0.0 110.638 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -77.01 158.02 30.83 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.214 1.005 . . . . 0.0 111.726 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.74 -47.5 82.27 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.626 1.17 . . . . 0.0 112.944 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.03 -42.32 80.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.995 0.518 . . . . 0.0 111.734 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -58.58 -49.9 75.76 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.48 0.712 . . . . 0.0 111.552 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.38 -40.17 96.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.171 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.87 -37.98 89.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.563 1.074 . . . . 0.0 113.253 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -62.05 -48.3 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 121.391 -0.818 . . . . 0.0 111.053 171.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.09 -41.02 91.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.704 0.684 . . . . 0.0 112.003 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -45.29 91.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.454 1.502 . . . . 0.0 112.408 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -65.11 -51.43 61.36 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.507 1.049 . . . . 0.0 111.315 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.2 tp -58.0 -37.85 75.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.27 1.028 . . . . 0.0 112.277 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -58.32 5.54 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.871 1.268 . . . . 0.0 111.555 170.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -54.98 -26.59 37.74 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.305 1.442 . . . . 0.0 114.824 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -55.16 -19.97 9.12 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 167.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -143.18 -33.01 0.45 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.1 t -148.6 95.21 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 128.259 2.624 . . . . 0.0 108.25 -169.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.87 -35.15 31.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.041 1.336 . . . . 0.0 114.141 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 m -69.74 86.67 0.49 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.631 1.572 . . . . 0.0 112.521 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.44 -43.6 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.996 1.718 . . . . 0.0 113.107 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -64.59 -39.23 93.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -73.1 -33.72 65.75 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.418 -0.801 . . . . 0.0 112.056 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -58.62 -46.06 87.89 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.935 -1.103 . . . . 0.0 111.831 166.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.16 -45.39 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.469 -0.769 . . . . 0.0 111.601 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -51.47 -50.91 58.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.176 0.99 . . . . 0.0 111.712 171.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.51 -43.52 98.72 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.213 1.405 . . . . 0.0 112.659 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.75 -47.25 77.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.82 1.248 . . . . 0.0 112.505 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.38 -51.04 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.118 0.567 . . . . 0.0 109.969 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.72 -51.54 62.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.392 0.677 . . . . 0.0 111.925 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -35.33 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.153 1.381 . . . . 0.0 113.254 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 m -81.6 -38.39 26.13 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.691 0.796 . . . . 0.0 112.563 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mm -83.51 -34.19 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.551 1.14 . . . . 0.0 112.77 -172.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.9 tt -145.68 150.97 15.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 C-N-CA 124.043 0.937 . . . . 0.0 112.115 -171.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -132.4 34.84 3.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.368 1.467 . . . . 0.0 112.356 -165.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -127.17 57.56 1.48 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.385 1.874 . . . . 0.0 111.297 -174.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -51.57 147.85 5.9 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.671 1.989 . . . . 0.0 113.103 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.5 178.72 40.25 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.335 1.445 . . . . 0.0 113.003 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.3 p -66.63 151.08 48.05 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.285 1.034 . . . . 0.0 112.92 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -146.25 161.01 41.21 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.835 1.654 . . . . 0.0 111.375 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -152.59 154.16 34.83 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.611 1.565 . . . . 0.0 110.808 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.6 175.48 9.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.412 1.485 . . . . 0.0 112.112 173.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -142.09 37.86 1.58 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.892 1.277 . . . . 0.0 111.485 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 t -61.55 152.74 29.5 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.159 -0.963 . . . . 0.0 113.04 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.11 14.36 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 126.303 1.841 . . . . 0.0 112.951 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.156 1.783 . . . . 0.0 112.477 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tmmm? . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -64.1 152.92 39.14 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.817 1.247 . . . . 0.0 112.071 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -134.3 155.71 49.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.16 1.784 . . . . 0.0 110.322 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.14 112.09 16.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.906 1.683 . . . . 0.0 110.333 -173.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 18.2 p -87.25 159.2 18.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -166.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.64 123.57 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.336 1.454 . . . . 0.0 108.437 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.5 p -143.69 125.31 14.95 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.321 1.048 . . . . 0.0 111.673 -171.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.44 -178.51 7.19 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.227 1.011 . . . . 0.0 113.259 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -123.96 155.22 38.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.102 1.761 . . . . 0.0 112.961 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.5 mt -143.05 174.35 10.76 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 128.915 2.886 . . . . 0.0 110.343 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -84.23 158.8 21.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.789 1.236 . . . . 0.0 111.703 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.29 -48.69 76.14 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.31 1.044 . . . . 0.0 113.516 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.41 -38.44 81.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.939 0.496 . . . . 0.0 112.26 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -62.42 -49.02 77.13 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.672 -0.642 . . . . 0.0 111.456 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -63.01 -38.17 90.13 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.983 -0.448 . . . . 0.0 112.16 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.19 -43.13 96.13 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.874 0.761 . . . . 0.0 112.534 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.82 -46.83 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.31 0.959 . . . . 0.0 111.54 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.29 -44.14 95.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.409 1.004 . . . . 0.0 111.961 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -60.7 -41.54 95.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 112.514 175.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -64.81 -49.6 70.0 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.176 1.39 . . . . 0.0 111.75 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.39 -34.68 77.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.061 0.945 . . . . 0.0 112.298 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.14 20.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.39 0.676 . . . . 0.0 111.755 170.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.47 -24.9 48.91 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.514 1.925 . . . . 0.0 114.39 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.6 -21.45 2.58 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 166.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -136.14 -50.47 0.7 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.556 1.542 . . . . 0.0 113.503 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.58 108.36 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.568 2.747 . . . . 0.0 108.653 -175.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.01 71.3 0.09 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.205 1.802 . . . . 0.0 113.685 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.4 m -143.39 74.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.281 2.232 . . . . 0.0 110.199 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.86 -38.41 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.531 1.132 . . . . 0.0 113.162 -172.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -56.83 -52.99 62.91 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.017 0.927 . . . . 0.0 113.079 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.8 t -65.79 -42.21 91.01 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.544 1.138 . . . . 0.0 111.66 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -56.78 -50.83 71.13 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.547 1.139 . . . . 0.0 112.158 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.67 -43.05 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.533 0.606 . . . . 0.0 111.408 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.74 -54.69 34.49 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.97 0.805 . . . . 0.0 112.004 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -68.46 -34.14 75.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -54.07 -48.51 70.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.35 1.06 . . . . 0.0 111.842 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.34 -48.08 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.357 0.663 . . . . 0.0 110.679 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.24 -14.72 52.49 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -110.47 10.47 23.23 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.696 1.998 . . . . 0.0 113.359 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -131.47 -39.26 1.15 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.278 1.031 . . . . 0.0 113.549 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mm -74.2 -24.97 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.245 1.018 . . . . 0.0 111.304 168.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -138.92 165.17 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 127.631 2.373 . . . . 0.0 107.752 176.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -148.76 137.43 21.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.429 1.092 . . . . 0.0 110.215 168.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -159.47 123.2 3.76 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.309 1.844 . . . . 0.0 109.019 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -125.92 167.53 15.14 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.583 1.953 . . . . 0.0 112.523 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.26 34.99 0.07 OUTLIER Glycine 0 CA--C 1.534 1.272 0 N-CA-C 115.522 0.969 . . . . 0.0 115.522 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 36.3 p -135.66 149.32 49.25 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.038 1.335 . . . . 0.0 112.061 -174.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.68 -22.19 62.5 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -172.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -67.52 -9.36 41.67 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.47 -12.81 56.09 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.389 1.476 . . . . 0.0 114.487 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 95.1 p -70.65 -5.61 30.79 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 98.9 p -153.62 168.29 26.71 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.7 1.6 . . . . 0.0 112.965 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.32 135.11 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 126.031 1.732 . . . . 0.0 108.701 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.851 1.66 . . . . 0.0 111.561 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 119.892 -0.099 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 43.92 52.11 6.73 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.323 2.249 . . . . 0.0 114.812 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.14 121.28 11.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.398 1.479 . . . . 0.0 109.494 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -129.29 111.06 12.48 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.027 1.731 . . . . 0.0 109.727 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 p -81.85 158.09 24.16 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -166.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.85 125.93 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.612 1.565 . . . . 0.0 108.833 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 p -143.69 121.12 11.67 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.192 0.997 . . . . 0.0 111.838 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.91 -172.17 4.1 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.345 1.058 . . . . 0.0 112.697 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.84 151.55 48.18 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.729 1.612 . . . . 0.0 112.718 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.68 173.81 10.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.375 2.27 . . . . 0.0 110.217 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -82.05 156.54 24.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.115 0.966 . . . . 0.0 111.748 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -55.48 -52.81 62.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.292 1.037 . . . . 0.0 113.568 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.72 -40.84 88.57 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.98 0.512 . . . . 0.0 112.049 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -58.41 -52.12 66.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.103 0.961 . . . . 0.0 111.763 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -62.22 -40.87 97.54 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.018 0.527 . . . . 0.0 111.999 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -42.15 98.82 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.6 -48.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.228 -0.92 . . . . 0.0 110.836 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.29 -35.14 76.51 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.714 -0.616 . . . . 0.0 112.224 175.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -63.93 -43.73 95.02 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.334 1.454 . . . . 0.0 112.555 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -66.14 -44.45 84.14 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.16 0.891 . . . . 0.0 111.847 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.69 -37.08 80.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.02 0.528 . . . . 0.0 112.348 173.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.37 76.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.791 0.837 . . . . 0.0 112.625 172.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.96 -33.31 71.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.694 1.134 . . . . 0.0 112.516 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.99 -10.6 58.31 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 171.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -136.46 -48.4 0.64 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -165.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -142.25 -7.82 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.843 1.657 . . . . 0.0 114.879 -169.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 69.93 6.21 5.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.6 p -147.56 133.81 19.48 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.895 -1.128 . . . . 0.0 113.355 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -69.05 -38.85 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.915 0.886 . . . . 0.0 112.265 -169.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -68.39 -38.11 81.01 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 112.671 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.418 0.687 . . . . 0.0 111.489 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.87 -42.76 90.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.773 0.829 . . . . 0.0 112.876 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -43.21 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 121.323 -0.861 . . . . 0.0 111.969 172.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.65 -40.66 92.82 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.816 -1.178 . . . . 0.0 111.643 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.56 -44.76 95.53 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.246 1.418 . . . . 0.0 112.583 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -54.63 -40.84 69.37 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.351 1.061 . . . . 0.0 112.289 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -68.83 -43.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.058 -1.026 . . . . 0.0 110.99 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.54 -8.63 14.62 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.93 -24.64 13.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.921 1.688 . . . . 0.0 114.431 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -128.36 -10.02 5.2 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -168.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.05 -25.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 126.818 2.047 . . . . 0.0 110.682 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 58.1 mt -126.55 155.25 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 127.184 2.194 . . . . 0.0 107.119 164.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -148.96 95.59 2.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.59 1.156 . . . . 0.0 110.487 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -135.73 44.93 2.46 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.118 1.767 . . . . 0.0 111.532 -170.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -51.42 134.41 28.62 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.724 1.61 . . . . 0.0 112.282 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.3 -31.5 1.16 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.127 1.346 . . . . 0.0 113.844 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.6 p -141.21 167.17 22.82 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.509 1.923 . . . . 0.0 111.708 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -149.04 175.18 11.54 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.138 1.375 . . . . 0.0 112.224 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -134.01 170.89 14.97 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.78 1.632 . . . . 0.0 111.086 174.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -149.98 152.84 35.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.541 1.536 . . . . 0.0 111.379 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 t -152.83 95.47 1.99 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.982 1.313 . . . . 0.0 110.323 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.9 p -71.83 37.61 0.06 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.928 2.491 . . . . 0.0 115.685 -172.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -53.58 130.64 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.74 1.616 . . . . 0.0 111.057 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.5 t30 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.585 1.554 . . . . 0.0 113.394 178.536 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 N--CA 1.495 1.825 0 N-CA-C 111.181 0.067 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -131.03 163.11 28.31 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 126.288 1.835 . . . . 0.0 110.961 173.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -134.15 133.12 40.64 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.765 1.626 . . . . 0.0 109.715 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.18 109.1 12.45 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.379 1.472 . . . . 0.0 110.14 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 25.5 p -82.87 158.09 22.83 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -166.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -140.42 122.42 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 108.532 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.8 p -142.97 121.7 12.61 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.19 0.996 . . . . 0.0 112.113 -170.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -157.1 -173.24 4.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -129.33 148.71 51.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.601 1.56 . . . . 0.0 112.532 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -127.9 172.78 10.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.617 2.367 . . . . 0.0 110.666 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -80.15 160.93 25.52 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.963 0.905 . . . . 0.0 111.871 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.55 -52.48 64.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.282 1.033 . . . . 0.0 112.9 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.53 -40.01 85.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.852 0.461 . . . . 0.0 111.53 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.06 -53.4 57.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.936 1.294 . . . . 0.0 111.9 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.48 -38.1 88.78 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.341 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.84 -42.97 99.95 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.798 1.181 . . . . 0.0 113.14 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.78 -46.79 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.495 -0.753 . . . . 0.0 110.718 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.24 -39.13 85.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.686 0.675 . . . . 0.0 112.304 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.61 -40.78 98.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.917 1.287 . . . . 0.0 112.288 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -63.71 -51.65 64.07 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.146 0.978 . . . . 0.0 111.816 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -32.56 74.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.586 0.754 . . . . 0.0 112.482 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -55.45 14.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.064 0.946 . . . . 0.0 111.47 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.83 -27.77 44.7 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.512 1.525 . . . . 0.0 114.219 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.03 -26.08 24.6 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -143.2 -44.16 0.29 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -147.07 88.36 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.133 2.573 . . . . 0.0 109.645 -174.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.18 -16.12 12.35 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -170.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -65.94 84.5 0.08 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.113 1.765 . . . . 0.0 112.001 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -51.8 -39.68 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.429 1.492 . . . . 0.0 113.172 -174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -62.89 -42.1 99.65 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 175.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -66.14 -42.68 88.78 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.242 1.017 . . . . 0.0 111.426 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.3 -46.33 79.83 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.885 0.874 . . . . 0.0 112.548 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.88 -44.99 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.404 -0.81 . . . . 0.0 111.648 174.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.64 -44.16 72.96 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 0.0 112.39 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -65.2 -44.52 88.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.56 1.544 . . . . 0.0 112.349 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -53.99 -49.57 68.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.692 0.797 . . . . 0.0 111.862 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.84 -51.71 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.642 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 51.0 tp -54.91 -53.57 53.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.152 0.981 . . . . 0.0 111.847 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.34 -37.72 88.38 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 58.3 m -70.86 -37.76 73.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.316 0.646 . . . . 0.0 112.209 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.6 mt -67.84 -40.85 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 173.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.9 tp -147.56 107.63 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 122.647 1.213 . . . . 0.0 111.667 -176.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -76.16 38.97 0.18 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.915 2.086 . . . . 0.0 114.027 -175.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -96.06 79.48 3.22 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.225 1.81 . . . . 0.0 111.052 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -57.98 166.72 1.42 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.27 1.428 . . . . 0.0 112.744 172.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.96 -53.19 0.01 OUTLIER Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.89 1.233 . . . . 0.0 112.09 172.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 9.2 m -67.64 148.87 50.79 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.903 0.881 . . . . 0.0 109.964 161.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -61.92 143.68 56.1 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.672 0.789 . . . . 0.0 111.984 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -154.96 151.89 29.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.063 1.345 . . . . 0.0 110.772 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.27 157.49 33.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.997 0.919 . . . . 0.0 112.867 163.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 64.8 m -139.01 13.23 2.65 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.015 1.326 . . . . 0.0 113.36 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.8 t -153.34 163.24 40.27 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.253 1.421 . . . . 0.0 111.969 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 pt -129.03 10.96 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.121 1.768 . . . . 0.0 113.077 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.639 1.576 . . . . 0.0 113.16 177.035 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 119.734 -0.174 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -119.17 -8.96 10.07 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 125.07 1.348 . . . . 0.0 114.523 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -131.78 143.69 50.4 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.058 1.743 . . . . 0.0 110.843 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -141.87 147.06 36.53 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.646 1.978 . . . . 0.0 109.887 -165.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.04 157.34 26.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -164.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -137.65 125.07 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.082 1.353 . . . . 0.0 109.09 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -141.68 126.6 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.641 1.176 . . . . 0.0 111.895 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -158.25 -173.4 4.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.603 1.161 . . . . 0.0 112.13 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.93 152.51 45.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.478 1.511 . . . . 0.0 112.069 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.81 173.8 10.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.965 2.106 . . . . 0.0 110.022 172.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -81.15 157.7 25.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.952 0.901 . . . . 0.0 111.589 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.71 -49.72 74.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.073 0.949 . . . . 0.0 113.198 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.99 -42.04 94.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.429 0.692 . . . . 0.0 111.632 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.31 -48.0 81.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.406 1.082 . . . . 0.0 112.242 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.06 -39.77 94.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.029 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.74 -45.27 92.69 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.668 1.122 . . . . 0.0 112.997 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.83 -52.01 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.243 0.617 . . . . 0.0 110.85 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.14 -34.24 77.19 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 112.796 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.47 -41.78 96.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.286 1.434 . . . . 0.0 112.438 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.9 ttp-105 -68.91 -45.33 71.15 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.035 0.934 . . . . 0.0 112.572 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.49 -36.09 77.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.756 0.822 . . . . 0.0 112.34 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.32 31.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.016 0.926 . . . . 0.0 111.71 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -54.88 -27.28 41.5 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 114.255 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -54.26 -25.63 24.47 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 169.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -142.58 -45.19 0.32 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.18 87.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 127.858 2.463 . . . . 0.0 109.833 -173.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.78 -18.23 11.97 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -169.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -66.08 86.8 0.1 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.629 1.572 . . . . 0.0 112.073 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.33 -41.3 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 125.302 1.441 . . . . 0.0 113.687 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -67.46 -31.48 71.68 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.015 -1.053 . . . . 0.0 113.203 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 t -75.84 -33.38 60.04 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.801 0.84 . . . . 0.0 111.614 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.65 -40.64 95.64 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.007 -1.058 . . . . 0.0 112.264 167.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.9 -43.09 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.43 -46.49 76.69 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.158 -0.964 . . . . 0.0 111.926 172.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.53 -47.58 84.99 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.893 1.277 . . . . 0.0 112.072 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -51.79 -44.9 63.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.359 1.064 . . . . 0.0 112.261 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.48 -49.17 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.737 0.815 . . . . 0.0 111.165 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.37 -12.31 13.65 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.388 1.475 . . . . 0.0 114.718 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -119.09 9.04 11.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.213 1.805 . . . . 0.0 114.13 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -137.25 -41.36 0.57 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.2 mt -86.26 -24.25 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 119.242 0.928 . . . . 0.0 110.421 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -126.45 151.46 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 127.054 2.142 . . . . 0.0 108.101 174.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -133.81 -10.21 2.72 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -146.9 97.93 2.97 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.259 1.424 . . . . 0.0 111.064 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -68.89 166.33 18.0 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.71 1.204 . . . . 0.0 111.786 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.62 22.34 1.18 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.457 1.027 . . . . 0.0 114.708 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.4 p -143.46 164.79 29.33 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.317 1.847 . . . . 0.0 111.828 -173.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.74 141.58 24.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.083 1.353 . . . . 0.0 111.476 174.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -154.95 152.11 29.31 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.966 1.306 . . . . 0.0 111.11 -176.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -126.26 7.59 7.14 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.977 1.311 . . . . 0.0 113.297 -176.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.0 m -73.88 7.88 2.32 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.641 1.976 . . . . 0.0 115.049 -176.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.3 p -63.69 -5.33 3.95 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.438 1.895 . . . . 0.0 116.0 -174.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 pt -74.34 0.58 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.966 1.706 . . . . 0.0 114.434 171.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.578 1.951 . . . . 0.0 113.98 177.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? . . . . . 0 N--CA 1.503 2.176 0 CA-C-O 119.626 -0.226 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -116.83 5.46 13.03 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -132.46 131.32 41.59 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.968 1.707 . . . . 0.0 109.802 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -128.26 108.06 10.29 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.367 1.467 . . . . 0.0 109.949 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -80.36 158.7 25.96 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -166.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -138.75 128.76 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.975 1.71 . . . . 0.0 108.193 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.5 119.62 6.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.052 0.941 . . . . 0.0 111.761 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -153.56 178.75 9.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.529 1.132 . . . . 0.0 113.131 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -126.38 151.03 48.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.654 1.581 . . . . 0.0 112.605 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -138.91 -174.21 3.78 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 128.758 2.823 . . . . 0.0 109.795 -177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -101.2 158.35 16.09 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.898 1.279 . . . . 0.0 111.699 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.63 -53.53 55.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.652 0.781 . . . . 0.0 112.645 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.63 -38.33 87.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.981 0.512 . . . . 0.0 112.237 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.91 -50.13 72.08 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.487 0.715 . . . . 0.0 112.051 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -63.39 -36.97 85.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.595 0.634 . . . . 0.0 112.29 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.9 -50.58 72.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.588 1.555 . . . . 0.0 111.657 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -59.78 -44.43 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 121.324 -0.86 . . . . 0.0 111.686 174.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.06 -39.24 77.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.93 0.786 . . . . 0.0 111.579 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 117.453 -1.26 . . . . 0.0 112.831 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -63.5 -49.55 73.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 121.081 1.764 . . . . 0.0 111.834 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.41 -33.06 74.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.393 0.677 . . . . 0.0 112.181 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -53.22 32.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.564 0.745 . . . . 0.0 111.739 168.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -22.83 52.43 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.439 1.896 . . . . 0.0 114.269 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -50.77 -23.38 2.68 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 164.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.61 -44.85 0.54 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.422 1.489 . . . . 0.0 114.073 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -167.93 108.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 128.023 2.529 . . . . 0.0 108.521 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.32 -12.77 9.97 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -167.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -58.09 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.326 1.851 . . . . 0.0 113.048 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.78 -42.1 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.399 1.08 . . . . 0.0 112.992 -167.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.9 -44.31 73.45 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 79.4 p -72.2 -31.22 65.68 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.108 0.867 . . . . 0.0 112.203 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -58.34 -49.27 77.81 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.787 0.835 . . . . 0.0 112.114 166.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.73 -44.34 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.47 -0.769 . . . . 0.0 111.401 175.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -53.73 -49.93 67.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.259 0.936 . . . . 0.0 111.839 172.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -62.25 -42.22 99.13 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.009 1.324 . . . . 0.0 112.575 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -57.1 -49.37 76.09 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.868 0.867 . . . . 0.0 112.329 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.13 -48.83 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.076 0.951 . . . . 0.0 110.76 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.44 -53.92 44.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.881 1.273 . . . . 0.0 111.606 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.53 -30.09 71.26 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.41 1.484 . . . . 0.0 113.724 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.2 m -73.11 -41.83 63.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.203 0.601 . . . . 0.0 111.756 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.3 mt -85.31 -37.17 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.11 0.564 . . . . 0.0 112.054 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 47.3 pt -141.84 173.3 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.629 1.572 . . . . 0.0 111.884 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -125.08 25.76 7.16 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.232 1.413 . . . . 0.0 112.584 -173.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -72.89 68.03 0.87 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.866 2.066 . . . . 0.0 112.46 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -70.89 53.27 0.16 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.411 2.284 . . . . 0.0 112.31 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.17 54.59 0.11 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.88 1.705 . . . . 0.0 111.934 -168.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -139.51 175.44 9.57 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.378 1.471 . . . . 0.0 112.066 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -61.2 150.61 33.93 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.223 1.409 . . . . 0.0 113.485 -174.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -143.61 167.76 21.48 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.283 1.833 . . . . 0.0 111.113 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -140.26 158.11 44.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.46 1.504 . . . . 0.0 111.713 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 30.3 m -135.64 15.61 3.38 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.628 1.171 . . . . 0.0 113.672 -170.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.2 t -63.33 148.51 48.14 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.162 0.985 . . . . 0.0 112.602 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 40.5 pt -142.61 162.82 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.331 1.852 . . . . 0.0 111.839 -177.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.298 1.439 . . . . 0.0 113.632 174.512 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -74.01 -23.16 59.39 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -170.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -69.38 113.9 7.13 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.689 1.596 . . . . 0.0 111.23 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -120.33 110.09 16.13 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.544 1.937 . . . . 0.0 109.519 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 p -74.98 156.89 35.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -138.04 132.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.383 1.473 . . . . 0.0 108.733 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -154.88 126.26 7.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.471 1.108 . . . . 0.0 110.652 -172.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -158.77 162.01 37.04 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.935 0.894 . . . . 0.0 112.798 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.67 140.96 29.05 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 112.379 170.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.0 mt -117.75 -178.51 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.939 2.096 . . . . 0.0 109.385 161.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -121.63 174.58 6.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.138 1.775 . . . . 0.0 111.677 172.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.01 -49.59 73.26 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.82 1.648 . . . . 0.0 113.184 -162.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.25 -55.72 25.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.822 0.737 . . . . 0.0 112.536 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 pm0 -63.39 -39.2 93.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.495 -0.753 . . . . 0.0 112.317 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.59 -42.22 91.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.684 0.674 . . . . 0.0 111.529 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.08 -39.27 92.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.067 0.849 . . . . 0.0 112.852 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -47.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.183 0.901 . . . . 0.0 110.876 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.51 -47.31 86.03 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.057 0.844 . . . . 0.0 111.955 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -54.34 -48.17 71.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.224 1.81 . . . . 0.0 112.358 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -67.59 -49.49 62.89 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.223 1.409 . . . . 0.0 112.107 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.77 -30.55 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.14 0.576 . . . . 0.0 112.236 177.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.38 16.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.667 0.667 . . . . 0.0 111.284 167.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.83 -30.04 60.77 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.233 1.413 . . . . 0.0 114.37 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.51 -17.85 24.57 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -142.13 -50.39 0.39 Allowed 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.168 1.349 . . . . 0.0 114.545 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -148.86 95.19 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.496 2.318 . . . . 0.0 108.149 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.02 -8.06 4.77 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -171.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.4 t -65.54 84.63 0.07 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.39 . . . . 0.0 111.733 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 t -56.18 -39.66 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.523 1.129 . . . . 0.0 112.73 -171.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -63.91 -40.94 97.66 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.039 -1.038 . . . . 0.0 113.271 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.6 t -66.87 -44.29 81.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.197 0.999 . . . . 0.0 111.368 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -57.45 -46.94 83.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.366 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.64 -42.24 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.186 0.994 . . . . 0.0 111.418 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.34 -48.15 79.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.33 0.968 . . . . 0.0 111.952 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -64.5 -39.56 94.01 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -56.13 -48.63 75.87 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.559 1.144 . . . . 0.0 111.786 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.91 -45.29 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 124.401 1.081 . . . . 0.0 111.338 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.47 -53.25 54.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.248 0.619 . . . . 0.0 111.595 172.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -61.14 -49.09 78.64 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.26 1.024 . . . . 0.0 112.646 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.7 p -69.95 -30.26 67.59 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.5 mt -71.49 -43.7 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.312 0.96 . . . . 0.0 111.13 169.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.0 tt -149.13 118.05 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 122.548 1.166 . . . . 0.0 112.952 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -87.91 1.4 54.13 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.119 1.368 . . . . 0.0 114.068 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -71.58 70.03 0.65 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.896 2.078 . . . . 0.0 111.479 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.5 161.07 2.83 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.162 1.785 . . . . 0.0 114.056 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.82 -26.76 0.29 Allowed Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.698 1.142 . . . . 0.0 114.223 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -138.54 151.37 47.26 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.898 1.679 . . . . 0.0 110.014 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -144.81 156.77 44.21 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.568 1.547 . . . . 0.0 111.442 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -145.19 139.72 27.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.888 1.275 . . . . 0.0 111.035 172.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -129.22 173.73 10.23 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.48 1.912 . . . . 0.0 111.091 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -156.91 107.01 2.28 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.551 1.54 . . . . 0.0 108.658 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.4 p -54.31 152.0 6.83 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.408 1.483 . . . . 0.0 113.963 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.3 mm -66.34 137.5 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.396 1.079 . . . . 0.0 111.127 -173.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.201 1.4 . . . . 0.0 113.399 178.624 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.76 161.54 30.7 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 119.384 0.993 . . . . 0.0 111.685 173.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -141.51 152.76 44.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.542 1.937 . . . . 0.0 109.66 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -132.32 76.7 1.71 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.547 1.139 . . . . 0.0 111.871 -165.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -66.1 150.18 49.13 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.253 -0.904 . . . . 0.0 113.436 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.29 133.61 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.607 2.363 . . . . 0.0 108.81 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.0 p -142.72 140.84 31.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.673 1.189 . . . . 0.0 112.634 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -168.68 -167.33 0.76 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.433 1.893 . . . . 0.0 111.221 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -128.26 153.45 46.95 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.478 1.511 . . . . 0.0 112.452 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 99.6 mt -130.32 179.7 5.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.9 2.08 . . . . 0.0 109.74 168.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.3 m -89.26 149.97 22.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.868 0.867 . . . . 0.0 111.562 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -44.82 -54.24 6.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.016 1.726 . . . . 0.0 114.869 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -71.75 -36.39 70.41 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -61.27 -47.23 86.95 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.694 0.798 . . . . 0.0 111.439 170.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -61.99 -37.9 86.58 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.183 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.39 -40.04 95.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.991 0.916 . . . . 0.0 113.433 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.43 -45.92 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.097 -1.002 . . . . 0.0 110.674 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.9 -31.59 72.62 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.122 0.873 . . . . 0.0 113.348 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -58.89 -50.68 73.11 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.075 1.307 . . . . 0.0 111.037 168.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.04 -48.57 81.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.943 0.792 . . . . 0.0 112.601 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.51 -36.58 84.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.484 0.714 . . . . 0.0 112.504 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.69 73.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.752 0.706 . . . . 0.0 111.973 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -57.06 -29.77 63.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.647 1.112 . . . . 0.0 113.021 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.49 -29.37 70.49 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -153.19 2.12 0.28 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 -168.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -144.7 -37.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.861 1.665 . . . . 0.0 113.093 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 69.8 4.37 4.72 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.098 2.159 . . . . 0.0 115.25 -174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.3 m -144.12 115.24 7.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.368 1.467 . . . . 0.0 111.462 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.39 -37.96 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.589 0.756 . . . . 0.0 112.861 -172.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -56.2 -51.25 68.73 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.054 0.843 . . . . 0.0 112.4 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -70.99 -30.61 66.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.861 0.865 . . . . 0.0 112.222 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.54 -45.47 86.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 120.99 -1.069 . . . . 0.0 112.827 171.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.75 -38.37 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.262 -0.899 . . . . 0.0 110.856 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.89 -52.88 55.9 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.078 0.854 . . . . 0.0 111.828 166.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.2 -48.2 76.86 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.219 1.008 . . . . 0.0 112.067 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -54.45 -42.99 71.24 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.286 1.434 . . . . 0.0 112.943 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.46 -51.3 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.038 0.935 . . . . 0.0 110.821 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.12 -36.01 76.52 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.18 -8.01 35.01 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.908 1.448 . . . . 0.0 114.908 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.1 m -124.27 -39.28 2.35 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.545 1.138 . . . . 0.0 112.503 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 38.4 mm -78.17 -23.03 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.865 1.266 . . . . 0.0 112.742 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 34.6 mm -129.98 145.16 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.928 1.691 . . . . 0.0 109.029 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -147.7 82.15 1.51 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.484 1.113 . . . . 0.0 110.381 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -130.33 33.63 4.29 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.579 1.552 . . . . 0.0 112.278 -167.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -57.87 159.71 5.24 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.85 1.66 . . . . 0.0 113.741 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.48 -19.29 1.68 Allowed Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.566 1.079 . . . . 0.0 115.31 172.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 22.2 p -65.91 153.35 42.28 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.916 1.286 . . . . 0.0 113.504 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -76.52 167.34 22.02 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.333 1.053 . . . . 0.0 112.336 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -145.93 144.41 30.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.343 1.457 . . . . 0.0 110.707 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -151.8 155.43 38.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.67 1.588 . . . . 0.0 110.492 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -63.37 0.64 0.64 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 -173.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.3 m -125.68 7.28 7.51 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.373 1.869 . . . . 0.0 113.388 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 51.0 mm -73.57 118.07 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.322 -0.861 . . . . 0.0 109.1 168.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.7 m120 . . . . . 0 C--O 1.255 1.381 0 C-N-CA 126.069 1.747 . . . . 0.0 111.646 -177.218 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 119.77 -0.157 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -128.13 159.41 35.21 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.727 1.611 . . . . 0.0 111.36 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -140.09 134.98 32.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.793 1.637 . . . . 0.0 109.937 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -130.64 113.25 13.96 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.287 1.435 . . . . 0.0 110.198 -172.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 p -88.5 159.92 17.73 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -168.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -138.08 124.4 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.339 1.455 . . . . 0.0 108.561 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.3 p -142.98 129.87 20.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.803 1.241 . . . . 0.0 111.755 -174.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -159.23 -175.41 5.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.805 1.242 . . . . 0.0 111.898 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -125.3 155.69 39.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.245 1.418 . . . . 0.0 112.443 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt -133.85 169.43 17.08 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.656 2.382 . . . . 0.0 109.926 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -78.31 159.73 28.26 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.485 0.714 . . . . 0.0 111.414 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -59.42 -51.41 70.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.636 1.174 . . . . 0.0 113.038 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.38 -39.67 81.68 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.893 0.477 . . . . 0.0 111.813 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.21 -50.8 72.28 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.217 1.407 . . . . 0.0 112.026 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.94 -41.87 99.63 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.377 0.671 . . . . 0.0 111.673 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.7 -38.07 89.74 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.4 -47.35 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 110.973 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.38 -37.31 85.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.21 0.914 . . . . 0.0 112.538 173.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.61 -48.38 81.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.874 1.27 . . . . 0.0 111.653 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.54 -47.01 88.05 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.403 1.002 . . . . 0.0 111.714 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.0 -34.76 76.78 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.758 0.823 . . . . 0.0 112.659 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.98 -43.09 55.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 112.968 171.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -55.8 -36.82 67.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.51 1.524 . . . . 0.0 112.139 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.46 -21.6 64.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -154.36 -12.89 0.13 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 118.237 2.681 . . . . 0.0 118.237 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -133.97 -21.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.417 1.487 . . . . 0.0 113.36 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 70.77 3.35 4.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.846 1.658 . . . . 0.0 114.842 173.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 t -151.69 125.2 8.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.3 1.44 . . . . 0.0 111.426 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.76 -45.47 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.884 0.873 . . . . 0.0 111.662 -175.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.04 -35.14 76.26 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.399 -0.813 . . . . 0.0 112.327 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -65.08 -45.34 85.68 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.687 0.676 . . . . 0.0 111.375 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.57 -45.1 85.59 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.312 1.045 . . . . 0.0 112.514 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.94 -49.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.566 0.746 . . . . 0.0 111.814 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -55.46 -48.19 74.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.233 0.924 . . . . 0.0 111.978 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -58.93 -44.79 91.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.965 1.306 . . . . 0.0 112.203 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -56.91 -46.76 81.76 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.02 0.928 . . . . 0.0 112.704 174.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.085 0.554 . . . . 0.0 110.402 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.69 -54.13 50.35 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.549 0.613 . . . . 0.0 111.61 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -42.44 49.74 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.315 1.446 . . . . 0.0 113.14 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 m -87.02 -33.41 19.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mm -88.39 -57.79 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.878 0.871 . . . . 0.0 111.318 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.4 tp -165.3 124.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.285 1.434 . . . . 0.0 111.733 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -148.56 105.6 3.61 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.324 1.05 . . . . 0.0 110.875 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -149.68 122.93 8.95 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 127.342 2.257 . . . . 0.0 108.309 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -128.79 146.88 50.79 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.491 1.917 . . . . 0.0 111.869 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.54 22.18 0.03 OUTLIER Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.738 1.161 . . . . 0.0 114.825 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.5 m -66.93 148.91 51.34 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.78 1.632 . . . . 0.0 112.236 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -125.28 7.68 7.81 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.794 1.238 . . . . 0.0 114.018 -174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.09 144.83 56.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.677 1.191 . . . . 0.0 111.986 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.49 -6.06 28.12 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.4 t -152.19 100.02 2.58 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.611 1.964 . . . . 0.0 108.584 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -145.2 -176.12 4.97 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.603 1.561 . . . . 0.0 112.221 -174.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.1 tt -140.95 159.66 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 126.582 1.953 . . . . 0.0 111.166 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 125.925 1.69 . . . . 0.0 111.837 -173.635 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 110.886 -0.042 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -140.01 158.92 43.3 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 126.359 1.864 . . . . 0.0 111.028 175.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -150.19 125.72 10.25 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.696 1.598 . . . . 0.0 110.882 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.35 109.2 10.57 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.124 1.77 . . . . 0.0 109.517 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 52.3 p -81.05 158.98 24.91 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -167.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -135.44 131.95 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.794 1.638 . . . . 0.0 108.077 174.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -151.72 128.04 10.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.212 1.005 . . . . 0.0 111.797 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -159.11 179.62 8.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.034 1.334 . . . . 0.0 112.597 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -127.93 147.11 50.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.606 1.562 . . . . 0.0 112.225 -177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.65 172.95 11.86 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.226 2.21 . . . . 0.0 110.731 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -81.05 157.85 25.29 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.605 1.162 . . . . 0.0 111.13 174.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -57.12 -48.39 78.77 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.618 0.767 . . . . 0.0 112.943 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.11 -36.5 82.05 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -62.84 -50.89 69.17 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.419 0.688 . . . . 0.0 110.745 174.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -63.33 -37.43 87.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.18 -41.87 99.27 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.24 0.927 . . . . 0.0 113.008 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.03 -49.38 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.675 -0.641 . . . . 0.0 111.001 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.33 -44.17 88.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.634 0.652 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.99 -43.66 95.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.976 1.311 . . . . 0.0 112.279 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.26 -51.59 62.84 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.293 0.951 . . . . 0.0 111.903 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -36.89 79.98 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.476 0.71 . . . . 0.0 111.665 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -60.9 2.48 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.685 1.194 . . . . 0.0 111.673 170.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.48 -20.98 34.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.603 1.561 . . . . 0.0 114.664 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -48.59 -28.04 3.18 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 164.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.58 -21.59 0.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -147.71 94.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 127.876 2.471 . . . . 0.0 108.394 -173.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.4 -35.32 38.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.708 1.203 . . . . 0.0 114.048 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -70.43 88.37 0.66 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.695 1.598 . . . . 0.0 112.639 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 t -51.01 -41.04 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.503 1.521 . . . . 0.0 113.069 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -67.67 -37.13 81.93 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -68.95 -39.69 79.39 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.93 0.892 . . . . 0.0 111.478 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -57.24 -44.39 83.78 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.58 -0.7 . . . . 0.0 112.114 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -45.25 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.288 -0.882 . . . . 0.0 111.994 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -53.76 -46.82 71.07 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.319 0.963 . . . . 0.0 111.823 173.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -62.49 -45.32 93.55 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.052 1.341 . . . . 0.0 112.563 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.26 -35.44 69.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.473 1.509 . . . . 0.0 113.367 175.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.43 -47.5 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.806 0.842 . . . . 0.0 110.622 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.54 -30.4 68.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.809 0.843 . . . . 0.0 112.975 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -64.92 78.04 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.444 1.897 . . . . 0.0 112.992 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.6 28.21 5.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.408 1.483 . . . . 0.0 114.785 159.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 tt -67.28 -17.7 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.578 -1.326 . . . . 0.0 112.424 162.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 32.0 pt -120.04 163.42 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 127.378 2.271 . . . . 0.0 110.312 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -142.7 125.8 16.35 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.856 1.663 . . . . 0.0 110.626 -176.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -155.43 108.68 2.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.255 1.822 . . . . 0.0 109.959 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -59.56 151.53 24.24 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.429 1.092 . . . . 0.0 112.878 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.51 -166.91 32.91 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.789 1.185 . . . . 0.0 113.34 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -146.72 159.85 42.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.901 1.281 . . . . 0.0 111.607 171.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -157.26 167.94 28.85 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.885 1.674 . . . . 0.0 111.396 -175.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -138.47 147.46 43.24 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.059 1.744 . . . . 0.0 110.433 173.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -153.81 160.4 42.21 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.931 1.292 . . . . 0.0 111.981 -176.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 87.8 p -145.77 2.28 0.92 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.884 1.674 . . . . 0.0 114.609 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 74.7 m -69.01 160.34 31.13 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.499 1.12 . . . . 0.0 112.79 175.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.5 tt -138.48 13.2 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 124.819 1.248 . . . . 0.0 113.259 -174.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.629 1.572 . . . . 0.0 113.548 175.422 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 118.853 -0.594 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 42.67 41.69 2.54 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 127.702 2.401 . . . . 0.0 115.459 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -137.01 115.65 12.04 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.541 1.536 . . . . 0.0 109.715 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -126.87 110.55 13.17 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.578 1.951 . . . . 0.0 109.312 -173.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.7 p -80.62 157.21 26.05 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -166.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.22 131.38 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.746 1.618 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -143.59 136.52 27.58 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.724 1.21 . . . . 0.0 111.442 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -165.28 -170.67 1.95 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.099 1.36 . . . . 0.0 112.199 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -126.98 151.32 48.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.009 1.724 . . . . 0.0 112.599 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -130.45 170.83 13.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.116 2.166 . . . . 0.0 110.672 173.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -82.15 162.13 22.57 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.193 0.997 . . . . 0.0 112.557 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -56.28 -58.76 6.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.79 1.236 . . . . 0.0 113.344 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.21 -35.97 71.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.406 0.682 . . . . 0.0 111.887 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.48 -53.7 54.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.69 1.196 . . . . 0.0 111.779 173.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.42 -43.22 95.06 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.83 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.57 -40.23 93.99 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.22 -47.7 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.948 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.02 -39.13 88.6 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.331 0.969 . . . . 0.0 112.257 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -42.13 96.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.522 1.529 . . . . 0.0 112.751 172.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.5 -49.64 68.24 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.448 1.022 . . . . 0.0 111.79 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.6 -33.35 74.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.11 0.964 . . . . 0.0 112.332 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -60.72 2.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.612 0.765 . . . . 0.0 111.208 168.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -54.23 -27.53 35.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.369 1.468 . . . . 0.0 114.783 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.55 -26.56 32.87 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -141.54 -35.65 0.45 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.94 91.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 128.301 2.641 . . . . 0.0 109.557 -173.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.66 50.44 0.05 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 127.453 2.301 . . . . 0.0 116.483 -177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -145.85 95.51 2.65 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.928 2.491 . . . . 0.0 109.814 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -59.82 -40.99 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.729 0.812 . . . . 0.0 111.695 -173.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -64.31 -40.17 95.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.576 -0.703 . . . . 0.0 112.707 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -64.61 -45.9 84.95 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.741 0.701 . . . . 0.0 111.351 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -59.43 -45.35 91.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.042 0.937 . . . . 0.0 113.056 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.43 -47.79 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.426 -0.796 . . . . 0.0 111.37 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -53.15 -46.31 68.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.708 0.803 . . . . 0.0 111.775 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -62.23 -45.39 93.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.197 1.799 . . . . 0.0 112.469 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.01 -49.44 71.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.692 1.197 . . . . 0.0 112.221 173.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.5 mt -62.92 -50.96 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.727 0.811 . . . . 0.0 110.48 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.35 -53.85 53.49 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.793 1.237 . . . . 0.0 111.893 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.27 -29.1 70.49 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.8 m -71.93 -42.81 66.22 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.272 0.487 . . . . 0.0 111.606 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt -71.12 -40.38 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.71 0.804 . . . . 0.0 112.146 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -153.58 147.73 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.871 1.269 . . . . 0.0 111.455 -174.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.79 24.45 5.71 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.186 0.994 . . . . 0.0 113.085 -172.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -76.37 73.1 3.14 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.817 2.047 . . . . 0.0 111.299 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.76 159.74 2.13 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.09 1.756 . . . . 0.0 113.004 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.22 -131.63 1.31 Allowed Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.939 1.257 . . . . 0.0 112.458 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 p -61.52 -27.87 68.9 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.402 1.081 . . . . 0.0 113.713 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 51.59 34.54 12.72 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.002 2.121 . . . . 0.0 113.495 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -87.85 -5.55 58.54 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -166.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 53.98 30.03 11.06 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.946 1.698 . . . . 0.0 114.48 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 m -72.4 42.98 0.1 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.896 2.079 . . . . 0.0 114.136 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -138.55 168.0 20.71 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.998 1.719 . . . . 0.0 112.68 -168.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.61 142.53 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.895 1.278 . . . . 0.0 112.757 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t30 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.22 1.808 . . . . 0.0 111.52 -173.744 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 111.145 0.054 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -135.34 163.57 29.71 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.682 1.993 . . . . 0.0 110.982 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -139.75 150.69 45.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.006 1.723 . . . . 0.0 110.198 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -119.34 106.23 12.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.803 1.641 . . . . 0.0 109.938 -173.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 24.5 p -78.67 158.65 28.32 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.98 132.32 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.294 1.437 . . . . 0.0 109.427 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.0 p -143.9 135.2 25.77 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 111.307 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -162.84 -175.12 4.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.778 1.231 . . . . 0.0 112.462 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.53 152.3 37.2 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.853 1.661 . . . . 0.0 112.275 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.26 171.63 12.28 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.248 2.219 . . . . 0.0 110.054 171.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -77.42 161.44 27.98 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.137 0.575 . . . . 0.0 111.744 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.96 -54.13 48.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.103 . . . . 0.0 112.762 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -33.82 73.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.859 0.463 . . . . 0.0 112.031 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.62 -53.61 55.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.244 1.417 . . . . 0.0 111.855 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -60.64 -40.9 93.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.639 -0.663 . . . . 0.0 111.738 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.64 -45.8 91.14 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.74 -37.52 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.291 0.95 . . . . 0.0 112.165 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.05 -38.9 92.75 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.372 0.987 . . . . 0.0 111.682 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttp-105 -63.21 -40.47 97.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.853 0.861 . . . . 0.0 111.961 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -62.73 -46.52 87.7 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.838 1.199 . . . . 0.0 112.197 174.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.81 -33.16 73.63 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.969 0.908 . . . . 0.0 112.389 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.8 20.63 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.579 0.752 . . . . 0.0 111.729 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -55.54 -22.68 22.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.025 2.13 . . . . 0.0 114.921 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -49.19 -23.09 1.17 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.52 -39.16 0.22 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -157.19 101.65 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.783 2.433 . . . . 0.0 109.423 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.03 78.68 0.49 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 123.099 1.428 . . . . 0.0 113.423 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -147.95 82.74 1.51 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.403 1.881 . . . . 0.0 111.659 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 m -51.3 -36.93 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -58.83 -53.02 63.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.694 0.798 . . . . 0.0 112.208 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -45.7 83.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.182 0.993 . . . . 0.0 111.703 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.62 -48.9 79.87 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.023 0.929 . . . . 0.0 112.638 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.61 -41.55 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.669 -0.644 . . . . 0.0 111.433 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -56.77 -45.16 82.27 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.665 1.12 . . . . 0.0 112.087 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -64.04 -43.11 96.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.793 1.237 . . . . 0.0 112.646 174.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -54.36 -49.61 69.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 111.955 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.28 -49.95 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.994 0.917 . . . . 0.0 110.661 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -53.92 -56.23 19.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.353 0.661 . . . . 0.0 111.118 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.99 -39.51 92.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.133 . . . . 0.0 113.464 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -72.25 -28.02 62.88 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt -75.33 -47.09 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.868 0.867 . . . . 0.0 111.194 170.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -156.24 143.48 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.89 1.276 . . . . 0.0 112.124 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -136.48 78.61 1.72 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.093 0.957 . . . . 0.0 110.762 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -138.74 94.52 2.84 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.448 1.899 . . . . 0.0 108.98 -174.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -58.04 159.2 5.93 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.475 1.51 . . . . 0.0 114.203 -176.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.9 0.94 45.54 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.992 1.282 . . . . 0.0 114.789 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 17.6 p -65.76 -24.79 67.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.542 1.537 . . . . 0.0 114.51 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -144.08 147.76 34.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.621 1.568 . . . . 0.0 111.544 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -155.37 145.99 22.16 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.663 1.585 . . . . 0.0 110.718 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.0 t70 50.71 34.11 9.41 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.046 1.738 . . . . 0.0 114.852 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.0 t -152.89 93.43 1.75 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.643 1.577 . . . . 0.0 109.834 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.3 m -140.62 168.25 20.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.652 1.581 . . . . 0.0 112.23 -170.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.3 tt -130.62 12.11 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.996 1.318 . . . . 0.0 113.457 -173.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.3 t30 . . . . . 0 C--O 1.255 1.379 0 C-N-CA 125.681 1.592 . . . . 0.0 113.075 175.501 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? . . . . . 0 N--CA 1.497 1.876 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.6 mtt85 -74.18 154.98 38.83 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.372 1.069 . . . . 0.0 112.36 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -144.91 142.85 30.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.088 1.755 . . . . 0.0 109.965 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -127.49 105.63 8.63 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.277 1.431 . . . . 0.0 110.238 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.2 p -77.73 156.73 30.43 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -140.45 134.21 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.503 1.521 . . . . 0.0 108.857 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.98 119.51 5.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.052 0.941 . . . . 0.0 110.642 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -156.3 156.53 34.15 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -82.51 147.04 28.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.412 1.085 . . . . 0.0 112.963 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.35 170.34 13.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.963 2.105 . . . . 0.0 110.693 170.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -81.3 163.16 23.13 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.955 0.902 . . . . 0.0 112.267 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -59.8 -58.85 6.79 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.789 0.836 . . . . 0.0 112.92 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.56 -34.61 77.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.371 0.668 . . . . 0.0 112.083 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.74 -52.56 64.94 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -63.71 -38.7 92.1 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.409 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.21 -46.31 86.08 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.669 1.122 . . . . 0.0 112.522 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.05 -48.67 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.926 0.89 . . . . 0.0 110.985 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.44 -37.33 77.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.908 0.777 . . . . 0.0 112.19 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -64.58 -44.99 88.94 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.664 1.186 . . . . 0.0 112.119 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.32 79.82 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 112.153 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -33.46 74.71 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.73 -49.43 62.63 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.709 0.686 . . . . 0.0 111.936 169.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.39 -29.06 63.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.404 1.082 . . . . 0.0 113.336 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -27.1 68.53 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.39 -11.3 0.1 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 118.222 2.675 . . . . 0.0 118.222 -167.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -134.48 -25.56 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.72 1.608 . . . . 0.0 113.177 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 69.21 6.32 5.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.532 1.933 . . . . 0.0 115.636 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 t -150.37 136.15 18.33 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.974 -1.079 . . . . 0.0 112.458 168.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.74 -41.08 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.574 0.75 . . . . 0.0 112.444 -167.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -73.4 -37.13 66.06 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.214 0.915 . . . . 0.0 113.119 -175.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 p -71.32 -36.55 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.071 0.85 . . . . 0.0 111.899 171.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.8 -49.0 78.1 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.822 0.737 . . . . 0.0 112.103 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.21 -40.31 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.82 0.848 . . . . 0.0 111.741 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.13 -52.59 62.8 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.74 1.155 . . . . 0.0 111.865 171.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -63.31 -39.92 95.9 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.13 0.972 . . . . 0.0 112.664 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.93 -50.64 71.97 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.916 1.287 . . . . 0.0 111.929 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.27 -44.41 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 111.231 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 tp -53.89 -57.9 9.24 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.654 0.781 . . . . 0.0 110.402 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.42 -34.46 73.99 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.416 1.086 . . . . 0.0 113.586 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -69.37 -26.0 64.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.12 0.968 . . . . 0.0 113.494 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.21 -21.05 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 119.53 1.059 . . . . 0.0 113.372 -176.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.9 mt -138.45 149.51 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 126.231 1.812 . . . . 0.0 109.278 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -148.38 143.84 27.09 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.105 -0.997 . . . . 0.0 111.161 170.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -159.99 127.43 4.59 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.56 2.344 . . . . 0.0 108.815 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -124.54 12.13 8.64 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.92 -42.03 6.13 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.994 1.283 . . . . 0.0 112.812 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -142.61 138.74 30.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.462 1.905 . . . . 0.0 110.086 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -147.83 157.13 43.38 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.374 1.47 . . . . 0.0 110.864 -176.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -154.88 170.0 22.71 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.618 1.167 . . . . 0.0 113.027 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -149.53 155.43 40.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.885 1.674 . . . . 0.0 111.141 173.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -156.71 101.66 1.99 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.856 1.262 . . . . 0.0 110.226 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t -147.88 166.15 28.51 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.428 1.491 . . . . 0.0 111.992 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.21 133.51 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 125.252 1.421 . . . . 0.0 110.426 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.361 1.465 . . . . 0.0 113.557 178.435 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt . . . . . 0 N--CA 1.497 1.907 0 CA-C-O 119.967 -0.064 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -147.34 147.54 30.43 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.567 1.547 . . . . 0.0 111.53 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -137.85 163.06 32.38 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.04 2.136 . . . . 0.0 109.281 172.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -125.22 99.92 6.3 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.254 1.422 . . . . 0.0 110.612 -171.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.9 t -79.45 152.38 30.32 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -132.97 130.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.674 1.99 . . . . 0.0 108.415 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -139.05 128.0 23.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.619 1.168 . . . . 0.0 111.856 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -161.81 -172.57 3.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.207 -170.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -131.12 150.49 52.12 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.711 1.604 . . . . 0.0 112.069 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.31 177.62 7.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.14 2.176 . . . . 0.0 110.029 171.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.3 m -87.78 158.23 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.576 1.15 . . . . 0.0 111.911 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -53.8 -54.25 40.95 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.43 1.092 . . . . 0.0 113.49 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.54 -38.31 84.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.778 0.431 . . . . 0.0 112.064 -175.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.68 -51.33 69.85 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.87 0.868 . . . . 0.0 111.775 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -62.41 -39.28 92.74 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.199 0.599 . . . . 0.0 112.021 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.76 -39.97 91.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.93 -45.62 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.203 0.91 . . . . 0.0 110.927 172.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.65 -39.88 89.96 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.692 -0.63 . . . . 0.0 111.577 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -61.68 -36.95 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.251 1.02 . . . . 0.0 112.739 171.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -63.98 -52.1 61.2 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.714 1.143 . . . . 0.0 111.595 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.14 -29.0 70.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.493 0.717 . . . . 0.0 112.416 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.65 41.72 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.519 0.728 . . . . 0.0 111.749 166.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.63 -20.18 54.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.502 1.921 . . . . 0.0 114.464 -178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -50.17 -19.77 0.85 Allowed 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 161.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -148.77 -39.3 0.16 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.64 107.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 127.288 2.235 . . . . 0.0 109.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.42 -9.48 34.38 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -164.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 p -58.54 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.687 1.595 . . . . 0.0 113.575 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.88 -45.41 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.713 1.205 . . . . 0.0 113.126 -164.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -64.36 -43.84 93.26 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -65.91 -40.3 91.37 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.956 0.902 . . . . 0.0 112.13 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -58.74 -50.51 73.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.075 0.95 . . . . 0.0 112.091 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.68 -42.4 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.926 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -54.56 -52.21 62.82 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.839 1.2 . . . . 0.0 111.504 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.07 -47.49 85.66 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.479 1.112 . . . . 0.0 112.452 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -57.5 -45.43 84.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.212 1.405 . . . . 0.0 112.385 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.3 mm -75.48 -40.61 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.288 1.035 . . . . 0.0 111.417 -176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.51 -51.83 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.074 0.852 . . . . 0.0 110.729 170.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.54 -49.22 73.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.832 0.853 . . . . 0.0 112.489 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -63.17 -39.28 94.19 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.006 0.922 . . . . 0.0 112.836 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 21.6 mm -77.05 -37.66 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.536 1.134 . . . . 0.0 112.014 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.7 tp -147.36 101.45 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 123.204 1.478 . . . . 0.0 112.156 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -77.3 56.52 1.35 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.531 1.933 . . . . 0.0 112.501 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -139.86 97.66 3.3 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.359 1.463 . . . . 0.0 111.416 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.5 169.44 4.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.593 1.557 . . . . 0.0 112.276 171.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.81 175.3 45.23 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.715 1.15 . . . . 0.0 113.311 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.0 m -54.2 -28.26 39.58 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.338 1.855 . . . . 0.0 114.952 -169.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -120.7 10.79 11.08 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.929 1.292 . . . . 0.0 113.34 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -7.04 59.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.127 0.971 . . . . 0.0 113.279 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.63 153.0 43.06 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.182 1.793 . . . . 0.0 111.339 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 80.3 p -147.4 10.65 0.98 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.763 1.225 . . . . 0.0 114.277 -176.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 25.5 m -59.06 145.49 41.89 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.435 1.494 . . . . 0.0 113.596 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tp -142.07 10.96 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.787 1.235 . . . . 0.0 113.4 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.378 1.471 . . . . 0.0 112.887 177.863 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 121.055 0.455 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -118.5 102.14 8.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.587 1.555 . . . . 0.0 109.557 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 p -74.33 160.43 31.07 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.0 t -138.57 134.75 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.575 1.55 . . . . 0.0 108.596 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 t -153.49 125.55 7.9 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -157.97 -179.47 8.17 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 0.0 112.974 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -126.13 154.81 42.62 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.073 1.749 . . . . 0.0 112.725 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -143.87 170.45 15.87 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.188 2.595 . . . . 0.0 111.046 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 m -78.8 161.48 26.78 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.766 1.226 . . . . 0.0 111.939 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -54.5 -53.15 58.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.092 0.957 . . . . 0.0 112.305 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -68.35 -38.27 81.29 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.915 1.286 . . . . 0.0 111.934 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -61.82 -49.75 75.04 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.681 0.793 . . . . 0.0 111.469 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.45 -37.9 87.69 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.029 -0.419 . . . . 0.0 112.097 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.6 -35.11 79.41 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.06 -48.46 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.453 1.024 . . . . 0.0 110.491 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.24 -41.73 93.76 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.795 0.725 . . . . 0.0 112.109 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -57.98 -47.39 83.12 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.463 1.505 . . . . 0.0 112.567 174.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -63.78 -50.61 68.31 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.127 0.876 . . . . 0.0 111.489 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.14 -35.45 77.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.373 0.669 . . . . 0.0 112.11 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -59.86 3.7 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 111.479 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.42 -27.64 49.14 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.38 -21.34 49.9 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 171.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -142.58 -42.4 0.32 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -148.01 91.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 128.28 2.632 . . . . 0.0 109.622 -171.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.55 47.72 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.977 2.511 . . . . 0.0 116.906 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -142.2 91.84 2.38 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.989 2.516 . . . . 0.0 109.369 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 -40.31 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.123 0.969 . . . . 0.0 112.506 -168.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -61.57 -46.39 90.09 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.426 -0.796 . . . . 0.0 113.057 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -65.3 -44.04 89.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.388 0.675 . . . . 0.0 111.392 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.81 -47.16 80.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.347 1.059 . . . . 0.0 112.461 173.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.23 -44.86 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.999 0.818 . . . . 0.0 111.244 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.33 -45.64 84.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.654 1.115 . . . . 0.0 111.676 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -59.79 -46.9 87.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.173 1.389 . . . . 0.0 112.511 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -55.83 -49.69 72.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.672 1.589 . . . . 0.0 111.918 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.26 -50.48 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.9 0.88 . . . . 0.0 110.437 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.0 tp -54.97 -55.89 25.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.114 0.565 . . . . 0.0 111.445 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.99 -38.64 91.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.133 0.973 . . . . 0.0 113.312 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.5 p -72.04 -27.85 62.97 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.475 0.784 0 CA-C-N 119.032 0.833 . . . . 0.0 111.189 171.231 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 121.692 0.758 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -129.44 137.53 50.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.338 1.855 . . . . 0.0 110.227 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -116.26 156.72 26.1 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -165.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.51 129.09 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.977 1.311 . . . . 0.0 109.111 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -141.58 136.07 30.7 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.737 1.215 . . . . 0.0 111.66 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.31 -172.64 3.05 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.315 1.446 . . . . 0.0 111.531 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -127.08 149.47 49.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.937 1.295 . . . . 0.0 112.936 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 79.8 mt -124.75 162.84 23.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.025 2.13 . . . . 0.0 110.359 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -78.71 159.8 27.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.456 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -52.8 -49.24 66.01 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.065 0.946 . . . . 0.0 112.61 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -71.98 -44.91 62.76 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.308 0.643 . . . . 0.0 112.464 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.73 -37.08 79.18 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.38 -0.825 . . . . 0.0 111.984 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.51 -43.9 88.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.845 -0.534 . . . . 0.0 111.615 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.48 -40.87 96.11 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.421 1.01 . . . . 0.0 113.399 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -60.41 -49.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.471 -0.768 . . . . 0.0 110.76 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.97 -31.87 73.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.005 0.82 . . . . 0.0 113.011 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -63.0 -43.69 98.09 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.605 1.093 . . . . 0.0 111.792 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.45 -48.44 77.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.559 1.072 . . . . 0.0 111.942 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.82 -36.45 79.08 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.998 0.919 . . . . 0.0 112.387 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.13 -54.05 24.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.833 0.853 . . . . 0.0 111.761 170.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.18 -27.56 46.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.673 1.589 . . . . 0.0 114.24 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -55.91 -25.83 44.71 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 170.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -142.47 -45.72 0.32 Allowed 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.94 87.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.843 2.457 . . . . 0.0 109.572 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.95 -15.59 9.38 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -66.51 91.66 0.18 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.278 1.431 . . . . 0.0 111.717 173.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 t -57.82 -42.95 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.632 1.173 . . . . 0.0 113.11 -168.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -66.37 -35.27 79.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.225 -0.922 . . . . 0.0 112.795 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -67.78 -41.6 82.98 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.698 0.681 . . . . 0.0 111.773 171.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.29 -44.2 88.39 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.169 -0.957 . . . . 0.0 112.421 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.45 -46.3 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.509 -0.745 . . . . 0.0 111.817 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -52.74 -49.66 65.01 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.125 0.875 . . . . 0.0 111.59 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -61.01 -43.13 99.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.478 1.511 . . . . 0.0 112.34 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -56.14 -48.18 76.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.491 1.116 . . . . 0.0 112.432 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.76 -50.18 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.116 0.567 . . . . 0.0 110.497 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.89 -55.23 28.72 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.389 0.676 . . . . 0.0 111.292 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.23 -36.43 70.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.236 1.015 . . . . 0.0 113.056 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -71.79 -44.15 64.48 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.457 0.703 . . . . 0.0 112.139 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 23.5 mm . . . . . 0 N--CA 1.473 0.702 0 C-N-CA 124.408 1.083 . . . . 0.0 112.768 -174.435 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 m120 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.407 0.622 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -126.75 108.43 11.05 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.532 1.933 . . . . 0.0 109.919 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 p -76.88 159.05 30.34 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -171.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.3 t -137.44 134.28 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 108.472 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -153.97 124.99 7.3 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 0.0 111.23 -172.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -157.69 179.0 9.64 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.291 1.036 . . . . 0.0 113.09 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.07 150.76 46.47 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.707 1.603 . . . . 0.0 112.783 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.06 178.95 6.79 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.13 2.572 . . . . 0.0 110.543 -174.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.1 t -88.25 156.63 19.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.926 1.29 . . . . 0.0 111.48 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -54.52 -44.5 72.81 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.594 1.158 . . . . 0.0 112.758 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.6 -42.18 95.73 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.177 0.591 . . . . 0.0 112.161 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.78 -49.32 73.41 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.826 0.85 . . . . 0.0 111.429 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -62.65 -40.19 96.25 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.614 -0.679 . . . . 0.0 111.829 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.04 -48.03 82.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.012 0.925 . . . . 0.0 113.063 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.78 -37.97 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.812 1.187 . . . . 0.0 112.28 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.03 -45.92 89.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.089 0.859 . . . . 0.0 111.262 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -62.07 -36.59 82.12 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 118.061 -0.971 . . . . 0.0 112.665 174.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.8 -51.95 62.45 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.438 1.472 . . . . 0.0 111.195 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.73 -32.61 71.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.543 0.737 . . . . 0.0 112.445 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.44 -53.61 27.46 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.443 0.697 . . . . 0.0 111.966 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.01 -25.13 63.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.608 1.963 . . . . 0.0 114.265 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -55.26 -16.44 3.32 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 166.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.91 -54.46 0.54 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.922 1.289 . . . . 0.0 113.764 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -153.25 101.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 128.122 2.569 . . . . 0.0 107.686 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.55 -13.87 16.63 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -170.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -57.77 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.591 1.956 . . . . 0.0 113.126 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.5 t -56.83 -39.2 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.647 1.179 . . . . 0.0 112.636 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -56.86 -51.64 68.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.787 0.835 . . . . 0.0 112.995 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -64.83 -46.73 80.69 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.644 1.178 . . . . 0.0 111.583 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -56.78 -49.5 75.13 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 112.338 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.79 -45.04 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.615 0.766 . . . . 0.0 111.334 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.35 -49.79 66.38 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.711 1.141 . . . . 0.0 112.121 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.71 -41.99 91.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.225 1.41 . . . . 0.0 112.627 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -56.2 -48.43 76.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.351 1.461 . . . . 0.0 112.442 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.425 HD11 HD11 ' B' ' 57' ' ' ILE . 72.4 mt -63.26 -51.39 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.957 0.903 . . . . 0.0 110.469 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.04 -54.6 36.99 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.843 . . . . 0.0 111.249 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -58.22 -44.78 88.34 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.134 0.973 . . . . 0.0 112.494 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.4 m -64.45 -39.02 93.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.111 0.565 . . . . 0.0 111.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.3 mt . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 123.576 0.75 . . . . 0.0 111.316 175.325 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 m120 . . . . . 0 CA--C 1.534 0.342 0 CA-C-O 122.242 1.02 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -141.32 148.84 40.39 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.517 2.327 . . . . 0.0 109.728 -169.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.67 157.07 30.4 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -166.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -138.36 133.37 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.956 1.303 . . . . 0.0 109.641 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p -141.89 141.73 33.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.054 1.341 . . . . 0.0 111.519 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -165.71 -172.85 2.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.751 1.62 . . . . 0.0 111.171 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -125.82 154.87 41.99 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.273 1.429 . . . . 0.0 112.224 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -132.9 175.12 9.63 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.132 2.173 . . . . 0.0 109.24 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 82.9 p -78.95 157.69 28.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 122.864 0.466 . . . . 0.0 111.506 171.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.5 -40.45 62.41 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.553 0.741 . . . . 0.0 112.403 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.86 -49.76 66.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.089 0.556 . . . . 0.0 111.677 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.37 -49.27 78.24 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 110.992 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.77 -38.2 90.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.165 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.87 -44.33 93.38 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.375 0.989 . . . . 0.0 112.87 173.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.77 -49.43 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.712 -0.617 . . . . 0.0 111.256 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -33.23 75.52 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.73 -0.606 . . . . 0.0 112.619 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -63.17 -47.09 84.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.509 1.049 . . . . 0.0 111.744 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -60.37 -47.08 87.59 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.506 1.048 . . . . 0.0 111.531 174.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.24 -36.63 82.59 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 112.747 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.51 62.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.173 0.989 . . . . 0.0 112.355 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.1 -26.43 66.21 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.664 1.186 . . . . 0.0 113.21 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.04 -29.14 67.06 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.16 -10.39 0.14 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 118.227 2.677 . . . . 0.0 118.227 -166.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.39 -29.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 126.245 1.818 . . . . 0.0 112.846 -175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 65.9 9.32 6.01 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.285 1.834 . . . . 0.0 115.857 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.5 m -143.49 111.37 6.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.893 1.677 . . . . 0.0 110.489 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.17 -42.85 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 0.0 112.37 -169.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -69.23 -40.3 78.01 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 88.8 p -72.37 -33.71 67.43 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.135 0.879 . . . . 0.0 112.244 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -58.08 -46.75 84.95 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.91 0.777 . . . . 0.0 111.986 167.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.316 -0.865 . . . . 0.0 111.881 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -55.12 -46.48 75.61 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.094 -1.004 . . . . 0.0 112.139 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -60.9 -45.75 93.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.882 1.273 . . . . 0.0 112.118 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.07 -47.61 71.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.983 1.313 . . . . 0.0 112.413 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 57' ' ' ILE . 29.7 mt -66.75 -49.72 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.205 0.602 . . . . 0.0 110.578 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.8 -47.27 83.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.075 0.95 . . . . 0.0 111.716 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.17 -40.48 85.74 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.315 1.046 . . . . 0.0 112.454 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 39.2 m -73.25 -15.13 61.43 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 N--CA 1.48 1.063 0 O-C-N 120.993 -1.067 . . . . 0.0 112.673 -173.844 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 m120 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 121.858 0.837 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -137.89 144.57 41.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.556 1.942 . . . . 0.0 109.872 -168.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.68 159.52 23.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.867 0.842 . . . . 0.0 112.922 -165.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.85 131.91 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.382 1.473 . . . . 0.0 108.18 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -153.2 121.89 6.39 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.275 1.03 . . . . 0.0 111.764 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -158.24 -172.39 3.87 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.63 1.572 . . . . 0.0 112.18 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.74 152.17 48.08 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.609 1.564 . . . . 0.0 112.735 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -133.95 178.05 7.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.086 2.154 . . . . 0.0 109.497 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.9 m -83.66 151.91 25.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.573 0.749 . . . . 0.0 111.11 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -46.76 -46.98 20.83 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.463 1.505 . . . . 0.0 113.751 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.52 -42.18 78.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.045 0.938 . . . . 0.0 112.26 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.15 -47.68 83.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.242 0.617 . . . . 0.0 111.02 172.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -59.94 -42.71 94.59 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.791 -0.568 . . . . 0.0 112.331 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.66 -46.43 89.06 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.282 1.033 . . . . 0.0 112.606 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.43 -50.14 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.606 -0.684 . . . . 0.0 111.538 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.66 -39.44 84.44 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.535 0.734 . . . . 0.0 112.142 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.52 -44.21 94.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.118 1.367 . . . . 0.0 112.381 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -64.68 -45.84 84.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.86 0.755 . . . . 0.0 111.797 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -36.84 82.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.108 0.563 . . . . 0.0 111.865 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.15 69.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.637 0.775 . . . . 0.0 112.069 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.27 -30.17 66.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.457 1.026 . . . . 0.0 113.469 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -64.43 -21.39 66.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -154.08 -11.68 0.14 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 118.239 2.681 . . . . 0.0 118.239 -170.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -136.55 -30.22 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 125.772 1.629 . . . . 0.0 112.991 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 64.79 6.94 3.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.72 2.008 . . . . 0.0 116.081 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -142.38 105.87 4.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.743 1.617 . . . . 0.0 110.33 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -60.76 -40.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.964 0.906 . . . . 0.0 112.665 -169.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -57.34 -53.75 54.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.361 1.064 . . . . 0.0 112.443 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -63.15 -40.45 97.6 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.095 0.958 . . . . 0.0 111.789 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.09 -50.26 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.056 0.943 . . . . 0.0 112.309 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 118.969 0.804 . . . . 0.0 111.059 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -54.47 -50.22 68.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -66.15 -39.62 89.94 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.777 1.231 . . . . 0.0 112.907 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.27 -47.92 77.62 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.754 1.222 . . . . 0.0 112.218 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.39 -48.77 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.444 0.698 . . . . 0.0 110.355 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.95 -56.91 12.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.645 0.778 . . . . 0.0 111.308 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.87 -41.72 87.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.062 1.345 . . . . 0.0 113.075 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.1 m -66.48 -40.34 89.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.062 0.545 . . . . 0.0 111.739 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.473 0.699 0 C-N-CA 124.068 0.947 . . . . 0.0 112.002 179.211 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 121.182 0.515 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -123.5 112.88 18.01 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.516 1.926 . . . . 0.0 109.983 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -81.05 156.81 25.66 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 128.39 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.381 1.472 . . . . 0.0 108.839 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 144.75 33.73 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.395 1.078 . . . . 0.0 111.425 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -163.78 178.81 7.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.91 1.284 . . . . 0.0 112.257 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -127.06 152.55 47.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.293 1.437 . . . . 0.0 112.791 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -140.66 178.52 7.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.325 2.65 . . . . 0.0 110.267 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 m -92.87 159.58 15.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 0.0 111.26 172.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.1 -48.2 76.62 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.85 0.86 . . . . 0.0 113.207 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.06 -41.94 94.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.108 0.563 . . . . 0.0 111.962 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.22 -48.3 82.31 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.497 0.719 . . . . 0.0 111.63 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.32 -37.55 85.64 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.97 -42.31 99.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.255 0.934 . . . . 0.0 112.915 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.12 -47.58 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.425 0.69 . . . . 0.0 111.072 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.89 -40.61 89.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.608 0.64 . . . . 0.0 112.241 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.95 -45.09 95.21 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.56 1.144 . . . . 0.0 112.037 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.38 -50.68 68.93 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.107 0.867 . . . . 0.0 111.847 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.28 -38.65 77.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.613 1.165 . . . . 0.0 112.265 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.13 -58.83 3.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.662 1.185 . . . . 0.0 111.726 171.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.29 -21.83 50.44 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.184 1.394 . . . . 0.0 114.598 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.56 -29.38 6.87 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 164.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -142.06 -27.3 0.64 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.3 t -149.25 94.85 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 127.945 2.498 . . . . 0.0 108.226 -168.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.95 -27.75 46.09 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -79.76 107.39 12.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.938 0.895 . . . . 0.0 111.344 172.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.14 -39.87 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.132 0.973 . . . . 0.0 111.704 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -72.74 -34.54 67.12 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.23 -0.919 . . . . 0.0 112.895 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.4 t -68.46 -38.93 81.55 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.987 0.812 . . . . 0.0 111.543 172.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -57.79 -46.14 85.05 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.887 0.875 . . . . 0.0 112.34 169.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.46 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.27 0.941 . . . . 0.0 111.629 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -53.79 -49.72 67.66 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.631 0.772 . . . . 0.0 111.84 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -59.28 -44.94 92.42 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.55 1.14 . . . . 0.0 112.143 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.08 -49.26 74.31 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.108 1.363 . . . . 0.0 112.464 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.85 -47.97 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.356 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 78.4 mt -58.42 -53.03 62.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.048 0.539 . . . . 0.0 111.796 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -60.9 -25.12 66.5 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.4 m -80.69 -18.34 48.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.188 0.995 . . . . 0.0 113.129 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.481 1.119 0 O-C-N 121.143 -0.973 . . . . 0.0 113.106 -165.907 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.0 m120 . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 121.503 0.668 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' B' ' 35' ' ' HIS . 20.7 m-85 -126.79 124.53 39.9 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.561 1.545 . . . . 0.0 109.454 -172.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 p -94.68 161.14 14.31 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.51 135.97 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.334 1.453 . . . . 0.0 108.842 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.83 123.0 5.92 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.384 1.074 . . . . 0.0 111.215 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -154.21 166.71 32.28 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.267 1.027 . . . . 0.0 112.872 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -100.24 154.77 18.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.494 1.118 . . . . 0.0 112.405 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.52 163.43 29.42 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.837 2.455 . . . . 0.0 110.22 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -70.51 153.25 43.12 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.322 1.049 . . . . 0.0 110.586 163.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.68 -38.95 57.22 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.653 0.781 . . . . 0.0 112.41 169.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.33 -52.8 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.075 0.55 . . . . 0.0 112.428 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.77 -35.05 76.58 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.433 -0.792 . . . . 0.0 112.028 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.38 -45.62 92.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.73 172.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.93 -44.87 94.08 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.044 0.838 . . . . 0.0 112.337 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.18 -52.19 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.053 0.842 . . . . 0.0 111.075 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.84 -39.64 85.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -61.86 -47.17 86.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.444 1.098 . . . . 0.0 112.421 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.97 -41.75 86.32 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.834 1.197 . . . . 0.0 111.799 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -37.81 84.82 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -49.24 64.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.781 0.832 . . . . 0.0 112.53 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.98 -27.68 67.05 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.277 1.031 . . . . 0.0 113.145 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.16 -27.2 68.79 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.71 -9.61 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 118.155 2.65 . . . . 0.0 118.155 -169.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.46 -33.07 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 125.525 1.53 . . . . 0.0 112.965 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 63.17 10.91 4.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 126.36 1.864 . . . . 0.0 115.969 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 99.57 3.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.165 1.786 . . . . 0.0 109.977 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.95 -40.03 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.2 1.0 . . . . 0.0 112.814 -168.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -60.73 -47.32 86.8 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.046 0.839 . . . . 0.0 112.594 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -66.18 -41.98 89.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.588 1.155 . . . . 0.0 111.79 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.1 -46.46 85.49 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.579 0.752 . . . . 0.0 112.385 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.47 -43.58 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 119.171 0.896 . . . . 0.0 111.477 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.7 -50.54 68.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.425 1.011 . . . . 0.0 111.363 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -61.05 -44.08 97.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.762 1.625 . . . . 0.0 112.779 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.59 -48.12 80.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.577 1.551 . . . . 0.0 112.011 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.31 -46.33 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.383 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.52 -54.65 41.34 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.037 0.835 . . . . 0.0 111.487 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -57.91 -39.72 78.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.313 1.445 . . . . 0.0 113.21 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -82.2 -26.22 33.53 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 mm . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 124.304 1.042 . . . . 0.0 112.091 173.597 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 121.559 0.695 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -136.0 122.1 20.23 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.73 2.012 . . . . 0.0 109.584 -172.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.57 153.61 17.63 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.47 -0.769 . . . . 0.0 112.294 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -133.85 129.63 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.815 2.046 . . . . 0.0 108.645 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 64.6 p -140.15 141.03 36.09 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.524 1.13 . . . . 0.0 111.491 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -163.46 -178.78 6.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.979 1.312 . . . . 0.0 112.027 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -127.2 154.15 45.19 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.363 1.465 . . . . 0.0 112.213 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -134.74 167.36 20.99 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.4 2.28 . . . . 0.0 110.969 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.0 t -79.26 158.99 27.46 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.331 1.452 . . . . 0.0 111.373 168.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -44.78 79.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.496 1.119 . . . . 0.0 111.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.11 -46.72 61.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.715 0.806 . . . . 0.0 112.573 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.2 -36.63 77.47 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.254 -0.903 . . . . 0.0 111.803 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' HIS . . . . . 0.401 ' CD2' ' HB3' ' A' ' 24' ' ' PHE . 59.6 t-80 -65.7 -41.71 92.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.687 0.676 . . . . 0.0 112.086 171.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.57 -44.08 85.03 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.53 1.059 . . . . 0.0 112.816 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.76 -50.7 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.386 0.674 . . . . 0.0 111.133 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.12 -42.58 90.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.777 0.717 . . . . 0.0 112.081 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.44 -37.19 86.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.414 1.086 . . . . 0.0 112.812 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.1 -51.36 61.76 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.609 1.095 . . . . 0.0 111.499 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.67 -31.51 72.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.207 0.603 . . . . 0.0 112.348 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -59.13 4.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.035 0.934 . . . . 0.0 111.467 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.21 -25.34 32.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.25 1.42 . . . . 0.0 114.456 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -54.08 -25.67 23.02 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 169.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -154.26 -30.74 0.11 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.19 83.91 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 127.675 2.39 . . . . 0.0 108.385 -176.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.46 -18.53 29.41 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -68.02 91.25 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.704 1.202 . . . . 0.0 111.039 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.0 -42.41 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.774 1.229 . . . . 0.0 112.43 -172.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -65.99 -39.42 90.32 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.44 -0.788 . . . . 0.0 113.058 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -67.12 -41.1 86.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.928 0.785 . . . . 0.0 111.746 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.5 -45.44 84.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.36 -44.24 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.172 0.896 . . . . 0.0 111.594 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.19 -49.56 66.46 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.311 0.96 . . . . 0.0 111.071 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -60.91 -46.1 92.01 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.757 1.623 . . . . 0.0 112.735 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.6 -47.9 75.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.116 1.366 . . . . 0.0 112.471 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -65.18 -51.13 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 123.179 0.591 . . . . 0.0 110.012 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.23 -57.85 9.07 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.017 0.927 . . . . 0.0 111.582 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -65.08 -28.08 69.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.02 0.928 . . . . 0.0 113.467 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.2 m -77.65 -39.79 43.9 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.947 0.499 . . . . 0.0 111.854 174.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 mm . . . . . 0 N--CA 1.474 0.763 0 C-N-CA 124.245 1.018 . . . . 0.0 112.156 -179.825 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 p30 . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 121.813 0.816 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -134.06 111.41 10.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.553 1.941 . . . . 0.0 109.718 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.9 p -81.69 156.23 25.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -166.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.82 128.73 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.58 1.552 . . . . 0.0 108.726 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 p -142.79 141.06 31.6 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.166 0.986 . . . . 0.0 110.475 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -164.68 -176.02 4.09 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.041 1.336 . . . . 0.0 111.851 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -121.3 158.69 27.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.708 1.603 . . . . 0.0 112.051 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.78 172.31 13.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.225 2.21 . . . . 0.0 110.329 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.57 166.34 22.66 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 172.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -61.1 -52.33 65.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.643 0.777 . . . . 0.0 111.906 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.18 -35.89 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.763 0.825 . . . . 0.0 111.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.64 -49.97 75.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.195 0.998 . . . . 0.0 112.032 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -67.88 -36.41 80.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 119.091 -0.48 . . . . 0.0 111.995 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.84 -41.36 97.72 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.37 0.986 . . . . 0.0 113.392 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.87 -47.57 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.357 -0.839 . . . . 0.0 110.803 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.95 -35.6 75.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.021 0.828 . . . . 0.0 112.265 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -65.21 -37.78 88.37 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.954 1.252 . . . . 0.0 112.71 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.43 -50.91 67.95 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.593 1.542 . . . . 0.0 111.721 171.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.88 -37.17 73.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.33 1.052 . . . . 0.0 112.285 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.01 19.94 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.999 1.32 . . . . 0.0 112.074 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.93 -21.1 42.17 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.163 1.785 . . . . 0.0 114.141 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -48.28 -26.53 2.03 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 163.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.99 -37.77 0.1 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -151.51 92.47 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 127.53 2.332 . . . . 0.0 108.241 -174.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.56 -17.67 55.99 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 -165.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -70.18 101.36 1.85 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.837 1.255 . . . . 0.0 111.953 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.8 t -54.06 -39.53 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.55 1.14 . . . . 0.0 113.146 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -40.73 94.05 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.283 0.947 . . . . 0.0 113.233 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -66.98 -41.46 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.617 -0.677 . . . . 0.0 111.371 172.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.67 -46.01 88.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.417 0.687 . . . . 0.0 112.308 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.73 -44.25 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 111.371 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.85 -48.53 77.87 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.39 0.995 . . . . 0.0 112.098 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -62.58 -46.57 87.72 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.783 1.233 . . . . 0.0 111.843 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -52.25 -48.11 65.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.887 1.675 . . . . 0.0 112.139 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.81 -50.29 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.214 1.006 . . . . 0.0 110.935 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.31 -12.06 12.24 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -117.38 1.4 12.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.777 1.631 . . . . 0.0 114.299 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.71 -34.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 O-C-N 121.287 -0.883 . . . . 0.0 111.021 169.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 m120 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 121.68 0.752 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -113.16 120.42 41.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.3 1.84 . . . . 0.0 109.516 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.1 p -90.76 158.83 16.64 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.67 123.52 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.628 1.571 . . . . 0.0 108.462 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -143.99 116.23 8.47 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.317 1.047 . . . . 0.0 112.308 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.48 -169.46 3.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.655 1.182 . . . . 0.0 112.763 -173.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -132.37 153.37 50.84 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.558 1.543 . . . . 0.0 112.893 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.0 mt -133.89 178.46 6.93 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.343 2.257 . . . . 0.0 109.822 170.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -86.59 153.33 21.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 112.144 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -49.86 -53.62 24.6 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.283 1.433 . . . . 0.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.11 -40.37 78.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.785 0.434 . . . . 0.0 112.091 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.53 -49.87 75.82 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.27 1.028 . . . . 0.0 111.555 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.1 -43.51 98.68 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.592 0.757 . . . . 0.0 112.211 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.18 -49.79 74.88 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.798 0.839 . . . . 0.0 112.443 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.49 -46.02 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.273 0.629 . . . . 0.0 111.468 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.78 -36.76 85.35 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.949 0.795 . . . . 0.0 112.637 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -66.21 -38.99 89.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.897 1.279 . . . . 0.0 112.367 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -64.61 -43.41 93.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.203 1.001 . . . . 0.0 111.902 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.41 95.4 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.624 0.77 . . . . 0.0 111.811 173.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.96 76.11 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.473 0.709 . . . . 0.0 112.024 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.22 -32.63 66.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.454 1.102 . . . . 0.0 113.367 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -150.74 -7.89 0.27 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -169.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 83.8 t -137.05 -25.94 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.39 1.476 . . . . 0.0 113.359 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 68.36 -2.33 1.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.461 2.304 . . . . 0.0 116.559 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 57.9 m -141.19 123.23 15.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.345 1.458 . . . . 0.0 111.492 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.66 -41.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.624 0.77 . . . . 0.0 112.152 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -59.94 -49.78 76.33 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.564 0.62 . . . . 0.0 112.169 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.4 p -73.28 -33.32 65.17 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.517 0.727 . . . . 0.0 112.17 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.14 -50.59 73.46 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.164 0.893 . . . . 0.0 112.625 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.68 -40.93 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.789 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -52.71 -49.5 65.26 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.243 1.383 . . . . 0.0 112.403 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -60.23 -46.17 90.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.088 1.755 . . . . 0.0 112.592 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.81 -51.85 67.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.879 0.871 . . . . 0.0 112.389 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.86 -41.18 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.606 1.163 . . . . 0.0 111.317 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.96 -61.7 2.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.417 0.687 . . . . 0.0 110.803 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.57 -46.77 86.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.983 0.913 . . . . 0.0 113.079 -171.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -70.02 -31.4 69.03 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mm . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 123.757 0.823 . . . . 0.0 111.145 173.687 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.6 m120 . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.95 106.19 7.9 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.232 1.413 . . . . 0.0 110.206 -166.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 t -87.31 159.81 18.63 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -170.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.67 130.04 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 127.686 2.394 . . . . 0.0 108.506 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -144.41 118.77 9.61 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.478 1.111 . . . . 0.0 112.221 -169.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -152.94 -178.76 7.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.749 -1.219 . . . . 0.0 113.994 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -123.26 153.94 39.48 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.209 1.804 . . . . 0.0 112.877 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -141.45 171.83 13.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 128.859 2.864 . . . . 0.0 110.499 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -81.51 161.38 23.64 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.044 0.938 . . . . 0.0 111.886 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.99 -51.56 68.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.656 1.182 . . . . 0.0 113.099 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.09 -39.54 86.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.05 0.54 . . . . 0.0 111.651 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.55 -49.85 75.93 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.173 1.389 . . . . 0.0 112.057 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -63.85 -40.63 97.03 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.98 -39.09 88.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.701 0.8 . . . . 0.0 112.824 173.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.49 -46.63 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.486 -0.759 . . . . 0.0 111.27 170.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.41 -41.42 97.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.693 1.133 . . . . 0.0 112.638 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -56.8 -48.59 77.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.873 1.269 . . . . 0.0 111.756 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -62.29 -50.65 70.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.035 0.934 . . . . 0.0 111.936 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.46 -40.13 85.87 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.535 0.734 . . . . 0.0 112.291 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.31 70.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.053 0.541 . . . . 0.0 112.325 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.96 -35.66 73.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.135 0.974 . . . . 0.0 113.251 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.45 -13.65 62.22 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -136.83 -41.4 0.6 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -167.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -143.54 -0.42 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 125.378 1.471 . . . . 0.0 114.749 -166.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 72.1 -22.83 0.2 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.826 2.45 . . . . 0.0 116.286 174.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -137.79 138.23 39.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.294 1.406 . . . . 0.0 114.417 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.02 -35.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.841 0.856 . . . . 0.0 111.887 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -60.15 -44.51 94.91 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.238 0.926 . . . . 0.0 111.719 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.4 m -76.52 -35.16 58.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -55.0 -51.87 64.89 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.66 0.664 . . . . 0.0 111.985 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.1 -43.05 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.352 -0.833 . . . . 0.0 111.741 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -42.1 93.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.293 1.406 . . . . 0.0 112.043 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -68.1 -36.81 80.38 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.13 -48.59 75.92 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.439 1.018 . . . . 0.0 111.901 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.66 -47.49 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 110.9 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.34 -54.1 44.9 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.171 0.989 . . . . 0.0 111.008 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -56.18 -59.34 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.176 0.99 . . . . 0.0 111.681 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 t -71.34 -15.37 62.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.48 1.027 0 C-N-CA 124.559 1.144 . . . . 0.0 112.368 178.788 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 120.84 0.352 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -138.14 140.32 39.82 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.668 1.987 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -119.23 154.71 32.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -161.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -138.21 130.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.169 1.388 . . . . 0.0 109.294 -175.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p -143.36 132.86 23.53 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.747 1.219 . . . . 0.0 111.019 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -162.68 154.62 18.42 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.904 0.882 . . . . 0.0 113.207 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.65 152.06 30.19 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 168.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -130.52 176.0 8.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.181 2.592 . . . . 0.0 109.792 165.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 67.7 m -85.37 158.77 20.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.032 0.933 . . . . 0.0 112.311 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.59 -53.72 54.96 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.275 1.03 . . . . 0.0 113.375 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.06 -35.27 76.36 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.749 0.419 . . . . 0.0 112.008 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.45 -50.35 73.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.673 1.189 . . . . 0.0 111.883 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -63.89 -36.72 84.86 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.74 -0.6 . . . . 0.0 112.548 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -40.78 96.07 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.206 -0.934 . . . . 0.0 113.16 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.83 -46.97 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.782 170.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.24 -41.05 87.8 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.746 0.703 . . . . 0.0 112.203 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -59.94 -43.33 95.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.699 1.2 . . . . 0.0 112.135 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -65.76 -49.22 69.18 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.906 1.23 . . . . 0.0 112.805 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.93 -37.7 74.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.57 0.748 . . . . 0.0 112.334 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.1 34.87 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.661 1.184 . . . . 0.0 111.733 171.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.45 -22.2 61.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.58 1.952 . . . . 0.0 114.711 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.64 -19.23 5.67 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 164.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -140.86 -53.29 0.48 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.86 1.264 . . . . 0.0 113.92 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -152.84 100.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 127.998 2.519 . . . . 0.0 107.517 -175.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -61.24 -9.13 4.45 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 -170.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.3 m -63.6 86.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.41 1.884 . . . . 0.0 112.712 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -50.18 -43.99 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.223 1.409 . . . . 0.0 113.292 -174.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -63.83 -45.15 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 m -64.45 -42.21 96.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.736 0.814 . . . . 0.0 111.823 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.91 -48.24 82.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.486 1.114 . . . . 0.0 112.305 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.01 -42.76 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.122 0.969 . . . . 0.0 111.405 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.18 -48.73 75.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.062 0.846 . . . . 0.0 111.741 173.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -45.79 92.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.458 1.503 . . . . 0.0 111.732 176.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -56.68 -49.67 74.41 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.513 1.525 . . . . 0.0 112.776 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.94 -44.76 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.485 0.714 . . . . 0.0 110.821 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.78 -57.47 10.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.814 0.846 . . . . 0.0 110.903 173.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.14 -26.58 68.4 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.2 m -77.14 -23.83 51.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.69 0.796 . . . . 0.0 112.951 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 124.061 0.944 . . . . 0.0 112.534 -168.347 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 CA--C 1.534 0.348 0 CA-C-O 121.82 0.819 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -136.03 146.06 46.73 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.873 1.669 . . . . 0.0 110.027 -166.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.15 156.65 31.89 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -163.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.2 t -138.3 127.44 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.023 1.329 . . . . 0.0 109.048 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.3 p -142.06 137.3 30.96 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.754 1.222 . . . . 0.0 111.783 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -166.81 -173.28 2.35 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.33 1.452 . . . . 0.0 111.826 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.1 151.4 48.69 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.663 1.585 . . . . 0.0 112.514 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -133.73 172.57 12.59 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 127.015 2.126 . . . . 0.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -84.03 162.49 20.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.865 1.266 . . . . 0.0 111.721 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -55.26 -54.18 46.73 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.094 0.958 . . . . 0.0 112.833 -176.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.69 -34.63 72.18 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.0 -52.67 64.37 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.822 -0.549 . . . . 0.0 110.673 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -61.91 -38.63 89.12 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -60.89 -43.61 98.25 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.081 0.855 . . . . 0.0 113.065 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -62.84 -49.95 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.972 0.806 . . . . 0.0 110.94 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.87 -39.21 84.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.756 0.707 . . . . 0.0 111.86 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.19 -45.43 93.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.366 1.067 . . . . 0.0 112.205 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -62.51 -48.35 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.097 1.317 . . . . 0.0 111.856 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.64 -33.33 74.81 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.811 0.844 . . . . 0.0 112.318 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.68 -51.26 36.1 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.648 0.658 . . . . 0.0 112.186 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -59.68 -21.66 60.87 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 113.61 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -51.87 -34.58 41.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 167.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -162.77 -27.6 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.07 -31.24 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.048 1.339 . . . . 0.0 112.506 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 69.21 5.57 5.18 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.495 1.918 . . . . 0.0 115.759 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.4 p -152.1 133.29 14.37 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.953 -1.092 . . . . 0.0 113.535 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 m -61.69 -38.68 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -65.39 -49.93 67.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.763 0.71 . . . . 0.0 112.078 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -67.0 -36.76 82.86 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.118 0.567 . . . . 0.0 111.829 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.76 -52.94 62.96 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 173.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.67 -40.98 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.999 0.818 . . . . 0.0 111.318 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -49.98 -57.29 7.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.321 1.049 . . . . 0.0 111.614 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -64.06 -40.83 97.14 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.37 1.068 . . . . 0.0 112.601 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -56.13 -49.86 72.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.581 1.552 . . . . 0.0 112.222 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.32 -44.54 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.75 -49.14 76.13 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.778 0.717 . . . . 0.0 112.402 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -62.92 -32.71 74.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.2 m -76.43 -34.57 58.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.742 0.817 . . . . 0.0 112.948 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 123.892 0.877 . . . . 0.0 111.983 -169.419 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.76 108.78 11.03 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.482 . . . . 0.0 109.862 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.2 p -80.47 158.86 25.76 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -168.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.36 135.25 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.414 1.485 . . . . 0.0 108.68 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -154.25 122.76 6.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.549 1.14 . . . . 0.0 110.998 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -154.91 177.89 10.79 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.348 1.059 . . . . 0.0 113.471 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -126.6 152.19 46.96 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.926 1.691 . . . . 0.0 112.728 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -142.36 179.88 6.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.156 2.582 . . . . 0.0 110.409 -173.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -83.64 161.63 21.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.158 0.983 . . . . 0.0 111.8 170.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.52 -42.19 82.34 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.232 0.613 . . . . 0.0 112.014 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.27 -49.2 78.03 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.902 0.881 . . . . 0.0 111.714 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.52 -44.4 90.98 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.505 -0.747 . . . . 0.0 111.842 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -62.75 -39.53 94.45 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.78 -41.21 99.15 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.712 1.142 . . . . 0.0 113.266 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.81 -48.95 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.515 -0.741 . . . . 0.0 110.953 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.8 -38.53 91.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.026 0.83 . . . . 0.0 112.812 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.08 -53.04 61.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.888 1.275 . . . . 0.0 111.046 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.56 -49.16 74.53 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.406 0.682 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 35.0 tp -61.19 -37.27 82.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.33 1.052 . . . . 0.0 112.424 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.43 -55.02 10.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.969 0.907 . . . . 0.0 111.769 170.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.95 -24.4 37.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 114.707 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -50.67 -26.41 5.43 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 166.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -140.13 -35.9 0.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.83 97.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 127.929 2.492 . . . . 0.0 109.884 -172.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -53.44 -22.51 7.95 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 t -69.44 96.03 0.86 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.026 1.33 . . . . 0.0 111.9 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 86.3 t -57.59 -39.76 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.863 0.865 . . . . 0.0 111.802 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -63.57 -43.09 98.03 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.264 -0.897 . . . . 0.0 112.92 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -65.0 -43.77 91.45 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.883 0.765 . . . . 0.0 111.836 173.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -56.88 -50.04 73.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.817 0.847 . . . . 0.0 112.295 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.06 -41.84 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 118.753 0.706 . . . . 0.0 111.503 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.38 -52.22 64.26 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.372 0.987 . . . . 0.0 111.624 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -60.45 -42.57 96.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.529 1.132 . . . . 0.0 112.732 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -56.27 -47.53 78.39 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.443 1.497 . . . . 0.0 112.441 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.58 -50.76 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.165 0.986 . . . . 0.0 110.698 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -53.77 -51.8 62.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.069 0.547 . . . . 0.0 111.517 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.69 97.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.353 1.061 . . . . 0.0 112.982 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.1 m -72.76 -38.77 67.22 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.478 0.97 0 CA-C-N 119.201 0.909 . . . . 0.0 112.609 -178.253 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 122.059 0.933 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -141.08 146.54 37.27 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.451 2.3 . . . . 0.0 110.467 -167.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.53 157.9 26.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -138.21 126.29 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 108.948 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 p -143.01 127.97 18.42 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.673 1.189 . . . . 0.0 112.0 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -158.78 -174.62 4.86 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.509 1.124 . . . . 0.0 112.411 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.5 150.86 48.5 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.265 1.426 . . . . 0.0 112.682 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -131.54 171.93 12.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.484 2.314 . . . . 0.0 110.469 175.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.7 m -81.32 158.13 24.83 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.13 . . . . 0.0 111.196 173.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -56.6 -48.76 76.74 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.944 0.897 . . . . 0.0 113.178 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -39.21 84.76 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.058 0.543 . . . . 0.0 112.272 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.07 -53.37 58.63 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.625 0.77 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -61.8 -38.75 89.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.819 -0.551 . . . . 0.0 112.157 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.33 -41.58 96.71 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.031 0.932 . . . . 0.0 113.217 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.17 -46.36 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.041 -1.037 . . . . 0.0 111.161 171.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.57 -39.23 83.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.92 0.782 . . . . 0.0 111.898 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -62.29 -39.62 93.58 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.265 1.026 . . . . 0.0 112.462 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -66.55 -49.29 66.92 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.632 1.105 . . . . 0.0 112.147 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.61 -36.3 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.682 0.793 . . . . 0.0 111.969 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.83 -49.73 49.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.59 1.156 . . . . 0.0 112.331 170.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.64 -19.25 47.93 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.319 1.848 . . . . 0.0 114.263 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.8 -25.63 0.79 Allowed 'General case' 0 CA--C 1.557 1.217 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 160.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.4 -43.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.534 1.534 . . . . 0.0 114.129 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 p -168.58 109.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.7 2.4 . . . . 0.0 108.737 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.96 -11.62 3.6 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -56.96 93.87 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.306 1.842 . . . . 0.0 113.594 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.7 t -55.32 -41.27 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.764 1.226 . . . . 0.0 112.95 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.26 -42.24 93.44 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.7 m -65.69 -41.1 92.8 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.742 0.817 . . . . 0.0 111.867 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.79 -44.26 94.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.463 0.705 . . . . 0.0 112.168 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.89 -43.22 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.873 0.869 . . . . 0.0 111.675 173.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.77 -49.42 73.18 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.504 1.047 . . . . 0.0 111.555 173.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -62.14 -41.04 97.88 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.623 1.169 . . . . 0.0 112.724 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.92 -48.49 79.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.213 1.405 . . . . 0.0 112.485 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.4 mt -65.2 -45.2 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.774 0.83 . . . . 0.0 110.648 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.7 mt -56.44 -52.55 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.476 0.71 . . . . 0.0 112.056 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.15 -34.87 74.16 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.4 m -73.1 -29.43 62.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.729 0.812 . . . . 0.0 112.891 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 N--CA 1.48 1.045 0 C-N-CA 123.805 0.842 . . . . 0.0 113.006 -168.797 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 121.018 0.437 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -134.33 110.26 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.524 1.53 . . . . 0.0 109.851 -173.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p -83.64 159.54 21.55 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -137.54 131.58 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.715 1.606 . . . . 0.0 108.332 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -152.05 121.83 6.99 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.225 1.01 . . . . 0.0 111.657 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -155.45 174.86 14.64 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.2 1.0 . . . . 0.0 113.292 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.96 151.22 45.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.791 1.636 . . . . 0.0 112.9 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 44.8 mt -140.08 178.23 7.42 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.912 2.885 . . . . 0.0 109.179 -175.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.4 p -83.68 162.59 20.68 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.71 -0.619 . . . . 0.0 112.305 171.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.35 -47.39 75.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 112.496 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.91 -38.97 79.92 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.21 0.604 . . . . 0.0 112.392 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.09 -45.79 90.45 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.474 -0.766 . . . . 0.0 111.722 172.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -63.62 -39.48 94.46 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.829 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -58.74 -44.54 90.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.575 1.079 . . . . 0.0 112.585 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.78 -51.0 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.383 -0.823 . . . . 0.0 111.077 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.1 mt -59.39 -40.15 85.66 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.569 0.622 . . . . 0.0 112.077 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.96 -42.8 99.93 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.994 1.718 . . . . 0.0 112.427 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -65.42 -51.17 62.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.774 0.83 . . . . 0.0 111.801 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.34 -34.75 74.27 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.482 0.713 . . . . 0.0 112.383 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -61.99 1.64 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.318 1.047 . . . . 0.0 111.35 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.37 -21.51 36.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.605 1.562 . . . . 0.0 114.798 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.94 -26.61 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 165.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.93 -22.0 0.19 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -148.84 93.17 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 128.017 2.527 . . . . 0.0 108.244 -172.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.68 -25.38 53.74 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.9 m -74.95 85.03 2.25 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.701 1.6 . . . . 0.0 111.987 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.18 -43.11 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.477 1.511 . . . . 0.0 113.109 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -65.6 -42.66 91.38 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -67.96 -35.61 78.68 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.913 0.885 . . . . 0.0 112.246 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.22 -49.35 78.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.768 0.827 . . . . 0.0 111.479 168.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.98 -44.28 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.163 0.892 . . . . 0.0 111.48 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.64 -51.23 63.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.117 0.967 . . . . 0.0 111.959 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -69.2 -33.54 73.5 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -57.71 -46.15 84.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.38 1.072 . . . . 0.0 112.229 170.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.0 mt -65.92 -45.74 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.657 0.783 . . . . 0.0 110.506 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -52.77 -53.43 48.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.511 0.596 . . . . 0.0 111.124 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.61 -4.74 4.45 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.5 p -124.9 8.85 8.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.439 1.496 . . . . 0.0 113.28 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 N--CA 1.477 0.902 0 C-N-CA 126.207 1.803 . . . . 0.0 111.564 176.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 121.223 0.535 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -125.36 102.52 7.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.45 1.9 . . . . 0.0 109.964 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.5 p -71.57 155.91 40.01 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -142.3 133.81 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.545 1.538 . . . . 0.0 109.147 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -143.57 138.73 29.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.686 1.194 . . . . 0.0 110.531 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -163.15 154.44 17.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -75.99 152.72 36.92 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.775 0.83 . . . . 0.0 112.806 168.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.67 175.61 9.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.925 2.49 . . . . 0.0 109.678 167.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -81.34 155.21 26.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.979 0.912 . . . . 0.0 111.53 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.12 -50.7 70.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.013 0.925 . . . . 0.0 113.195 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.79 -43.03 94.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.103 0.561 . . . . 0.0 111.794 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.42 -48.94 79.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.938 1.295 . . . . 0.0 112.39 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -59.61 -39.65 84.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.669 -0.645 . . . . 0.0 111.898 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.74 -44.41 81.56 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 m -66.27 -38.07 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 120.542 -1.349 . . . . 0.0 112.172 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.09 -37.13 86.5 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.585 -0.697 . . . . 0.0 111.635 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.56 -40.34 94.39 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.644 1.111 . . . . 0.0 112.507 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -65.17 -48.71 72.53 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 119.974 1.261 . . . . 0.0 111.981 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.85 -35.29 76.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.732 0.813 . . . . 0.0 112.312 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.36 31.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.29 1.036 . . . . 0.0 111.806 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.85 -24.99 55.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.994 1.718 . . . . 0.0 114.239 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -52.21 -26.38 11.55 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.76 -48.99 0.34 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -149.12 93.79 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 127.66 2.384 . . . . 0.0 107.995 -173.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.99 -20.47 53.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -164.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -68.76 106.44 2.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.508 1.123 . . . . 0.0 112.501 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 m -50.32 -38.51 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.786 1.234 . . . . 0.0 113.95 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -72.95 -39.32 66.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -63.74 -44.11 94.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.789 0.835 . . . . 0.0 111.313 170.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.03 -45.64 90.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.845 0.858 . . . . 0.0 112.54 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.24 -43.64 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.401 -0.812 . . . . 0.0 111.974 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -56.1 -45.44 79.43 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.75 -1.219 . . . . 0.0 111.587 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -64.1 -40.82 97.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.144 1.378 . . . . 0.0 113.245 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -56.74 -46.7 81.21 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.259 1.023 . . . . 0.0 112.196 171.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.402 HD11 HD11 ' B' ' 57' ' ' ILE . 65.0 mt -64.63 -51.91 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.151 0.981 . . . . 0.0 110.683 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -39.9 92.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.697 0.681 . . . . 0.0 111.954 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.13 -37.13 86.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.872 0.869 . . . . 0.0 112.881 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -70.1 -31.98 69.8 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.134 0.974 . . . . 0.0 112.638 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mt . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 123.95 0.9 . . . . 0.0 113.293 -168.246 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 . . . . . 0 CA--C 1.541 0.621 0 CA-C-O 120.847 0.356 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.38 105.9 6.82 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.794 1.638 . . . . 0.0 110.718 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 33.1 t -88.59 159.13 18.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -168.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.98 132.64 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 127.089 2.156 . . . . 0.0 108.584 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -142.62 121.21 12.52 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.517 1.127 . . . . 0.0 112.475 -168.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -157.12 -171.45 3.64 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.487 1.115 . . . . 0.0 113.108 -170.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -127.59 144.68 51.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.319 1.448 . . . . 0.0 112.808 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 67.5 mt -119.44 170.88 8.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.607 1.963 . . . . 0.0 110.077 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -83.84 155.17 23.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.429 0.692 . . . . 0.0 111.531 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -51.42 -54.1 30.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.693 1.197 . . . . 0.0 114.224 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.22 -38.38 78.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.79 -50.42 74.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.958 1.303 . . . . 0.0 111.712 172.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.58 -43.78 98.23 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.887 0.875 . . . . 0.0 111.499 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.89 -40.6 96.89 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.51 -50.4 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.33 0.652 . . . . 0.0 111.079 172.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.71 -39.42 88.52 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.927 0.785 . . . . 0.0 112.007 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -67.53 -32.95 74.08 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.813 1.645 . . . . 0.0 113.439 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.84 -49.02 67.05 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.985 1.266 . . . . 0.0 111.495 169.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -59.9 -33.84 72.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.635 0.774 . . . . 0.0 112.213 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.81 24.05 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.189 0.996 . . . . 0.0 111.556 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.84 -24.64 52.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.843 1.657 . . . . 0.0 114.911 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -54.65 -18.89 5.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 167.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.65 -39.08 0.1 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -150.57 92.03 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 127.23 2.212 . . . . 0.0 110.008 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.28 -18.83 18.39 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.1 m -62.61 97.62 0.1 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.171 1.788 . . . . 0.0 113.149 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.91 -37.77 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -58.3 -52.87 63.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.082 0.856 . . . . 0.0 111.992 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 t -65.08 -45.87 83.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.262 1.025 . . . . 0.0 111.808 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.66 -48.23 81.78 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.43 -40.31 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.529 -0.732 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -53.03 -52.69 57.66 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.459 1.027 . . . . 0.0 111.696 170.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -57.48 -50.8 71.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.98 1.712 . . . . 0.0 112.137 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -53.8 -47.79 70.48 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.588 1.155 . . . . 0.0 112.515 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.402 HD11 HD11 ' A' ' 57' ' ' ILE . 83.9 mt -67.87 -45.98 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.743 0.817 . . . . 0.0 111.124 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.02 -51.02 70.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.924 0.89 . . . . 0.0 111.422 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.54 -25.7 68.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.231 1.013 . . . . 0.0 113.601 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 80.1 m -77.04 -40.75 45.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.439 0.696 . . . . 0.0 111.624 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 124.497 1.119 . . . . 0.0 112.095 178.765 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 121.211 0.529 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -127.53 142.04 51.49 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.435 1.894 . . . . 0.0 109.659 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -122.32 157.74 31.09 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.285 -0.884 . . . . 0.0 113.242 -164.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.8 t -139.69 123.94 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 109.2 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p -143.24 123.84 14.06 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.657 1.183 . . . . 0.0 112.427 -171.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.19 -172.79 3.9 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.769 1.227 . . . . 0.0 112.643 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.39 146.75 50.69 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.323 1.449 . . . . 0.0 112.553 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -127.52 171.56 11.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.065 2.146 . . . . 0.0 110.478 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -83.35 159.33 21.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.608 0.763 . . . . 0.0 112.132 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -51.91 -60.69 2.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.342 1.457 . . . . 0.0 113.373 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.86 -32.9 72.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.23 -50.81 71.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.626 1.17 . . . . 0.0 111.359 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -64.39 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.707 -0.663 . . . . 0.0 112.11 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.48 -43.01 97.42 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.572 1.078 . . . . 0.0 113.16 172.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.3 t -62.78 -47.99 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.067 0.849 . . . . 0.0 110.85 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.36 -40.29 85.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.49 0.586 . . . . 0.0 111.913 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -62.69 -44.71 95.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.153 1.381 . . . . 0.0 112.481 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.84 -49.59 75.68 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.279 0.945 . . . . 0.0 111.918 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.0 -31.45 72.36 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.89 61.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.802 0.728 . . . . 0.0 111.774 168.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -58.61 -27.48 64.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.805 1.242 . . . . 0.0 113.361 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.37 -32.53 70.22 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.14 -4.59 0.14 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.184 2.661 . . . . 0.0 118.184 -167.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.31 -32.21 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 125.844 1.658 . . . . 0.0 112.945 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.35 13.42 4.01 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.041 2.137 . . . . 0.0 116.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -139.58 90.32 2.4 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.169 1.788 . . . . 0.0 110.212 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 t -52.47 -46.39 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.846 1.258 . . . . 0.0 113.46 -165.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -66.5 -30.12 70.38 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.168 -0.957 . . . . 0.0 113.348 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -85.21 -29.25 24.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.904 0.882 . . . . 0.0 112.258 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.87 -46.37 90.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.03 0.932 . . . . 0.0 111.301 162.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.77 -43.05 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.521 -0.737 . . . . 0.0 111.516 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -53.4 26.54 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.482 1.037 . . . . 0.0 111.595 170.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -58.39 -47.06 85.08 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.516 0.726 . . . . 0.0 112.818 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -54.56 -49.18 70.96 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.496 1.119 . . . . 0.0 112.751 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.83 -53.38 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.297 0.639 . . . . 0.0 109.829 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -46.4 84.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.071 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -62.15 -47.22 85.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.871 0.76 . . . . 0.0 111.87 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.3 m -60.57 -39.43 87.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.477 0.884 0 CA-C-N 118.945 0.793 . . . . 0.0 111.807 175.153 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -122.62 106.66 11.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.901 1.681 . . . . 0.0 109.8 -172.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -75.98 159.11 31.19 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.65 131.08 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.881 1.672 . . . . 0.0 108.31 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.2 121.13 7.1 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.257 1.023 . . . . 0.0 111.066 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -154.12 177.97 10.49 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.243 1.017 . . . . 0.0 113.044 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.26 157.92 29.25 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.688 1.595 . . . . 0.0 112.803 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.0 mt -142.54 166.96 23.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.638 3.175 . . . . 0.0 109.924 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.5 t -76.79 153.3 35.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.039 164.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -49.53 -43.49 45.71 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.886 1.275 . . . . 0.0 112.806 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.59 -52.62 50.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.328 0.651 . . . . 0.0 112.183 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.21 -33.85 70.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.22 -0.925 . . . . 0.0 112.686 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.22 -42.75 99.59 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.725 -0.609 . . . . 0.0 111.545 169.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.41 -36.48 84.3 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.212 0.914 . . . . 0.0 113.329 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.63 -50.43 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.181 0.9 . . . . 0.0 110.876 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.34 -36.27 79.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.91 0.777 . . . . 0.0 112.292 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -64.32 -38.8 92.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.873 1.269 . . . . 0.0 112.826 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.72 -48.26 72.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.763 1.165 . . . . 0.0 111.618 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.15 -37.14 74.1 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 112.144 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -54.31 18.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.075 0.95 . . . . 0.0 112.064 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.82 -25.76 43.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.996 1.719 . . . . 0.0 114.296 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.82 -26.07 13.38 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 168.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.98 -45.05 0.34 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.0 91.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 127.935 2.494 . . . . 0.0 109.728 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.48 -17.78 15.25 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -168.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -66.37 86.92 0.11 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.24 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 t -48.66 -45.68 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 113.834 -168.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -67.47 -40.11 85.29 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.2 t -67.03 -41.02 87.31 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.098 0.959 . . . . 0.0 111.481 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.23 -49.93 72.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.907 0.883 . . . . 0.0 111.865 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.81 -45.7 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.892 0.769 . . . . 0.0 111.637 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -55.32 -51.29 67.2 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.132 0.973 . . . . 0.0 111.678 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -62.26 -41.03 98.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.827 1.251 . . . . 0.0 112.363 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -58.3 -49.06 78.5 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.676 1.59 . . . . 0.0 112.323 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.42 -45.63 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.557 0.743 . . . . 0.0 110.888 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.03 -56.23 19.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.699 0.8 . . . . 0.0 110.831 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.85 -36.84 80.15 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.628 1.171 . . . . 0.0 113.49 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 99.1 m -67.1 -29.99 69.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.909 . . . . 0.0 112.868 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.479 1.006 0 C-N-CA 123.826 0.85 . . . . 0.0 112.643 -168.643 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 120.878 0.371 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -139.57 79.12 1.7 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.141 1.776 . . . . 0.0 109.785 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -64.98 150.94 47.15 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.995 -1.066 . . . . 0.0 113.316 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.46 131.16 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 127.416 2.287 . . . . 0.0 108.305 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -141.07 143.58 34.44 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.468 1.107 . . . . 0.0 111.635 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -164.32 -177.7 5.07 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.208 1.403 . . . . 0.0 111.887 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -129.9 142.31 50.67 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.35 1.46 . . . . 0.0 111.98 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.07 170.9 11.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.047 2.139 . . . . 0.0 111.488 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.6 m -82.62 161.74 22.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.304 1.042 . . . . 0.0 112.209 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -58.82 -55.56 33.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.202 1.001 . . . . 0.0 112.925 -173.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -68.23 -38.03 81.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.14 0.976 . . . . 0.0 111.84 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.21 -52.71 64.45 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.83 1.252 . . . . 0.0 111.803 174.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.42 -38.37 89.73 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.875 -0.516 . . . . 0.0 112.196 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.67 -41.63 95.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.289 0.95 . . . . 0.0 113.076 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -63.04 -47.48 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.526 -0.734 . . . . 0.0 111.114 172.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.22 -42.57 86.55 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 0.0 111.777 174.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.55 -41.78 99.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.848 1.259 . . . . 0.0 112.334 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.46 -50.93 69.49 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.654 1.115 . . . . 0.0 111.678 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.6 -31.77 73.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.144 0.578 . . . . 0.0 112.435 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.84 -58.57 5.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.472 0.709 . . . . 0.0 111.467 168.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.0 -26.27 47.86 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.641 1.576 . . . . 0.0 114.454 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -55.85 -27.7 52.89 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 169.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -143.63 -42.58 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -173.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -146.15 85.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 127.954 2.501 . . . . 0.0 108.194 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -18.9 42.04 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.607 2.076 . . . . 0.0 116.607 -169.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -67.19 87.31 0.16 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.639 1.576 . . . . 0.0 111.808 173.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.86 -39.69 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.48 1.512 . . . . 0.0 112.698 -174.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -55.29 -52.27 63.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.307 1.043 . . . . 0.0 113.244 172.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -64.41 -44.21 91.99 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.401 1.08 . . . . 0.0 111.656 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.51 -50.05 70.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.837 0.855 . . . . 0.0 112.668 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.89 -42.99 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.593 -0.692 . . . . 0.0 111.3 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -53.36 -49.61 66.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.156 0.983 . . . . 0.0 112.086 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -62.81 -45.7 91.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.489 1.516 . . . . 0.0 112.036 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.49 -49.12 70.9 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.542 1.137 . . . . 0.0 112.784 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.427 HD11 HD11 ' B' ' 57' ' ' ILE . 42.3 mt -65.54 -51.2 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.165 0.586 . . . . 0.0 109.962 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.52 -50.19 70.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.527 0.731 . . . . 0.0 111.605 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.6 m -80.53 -27.81 37.54 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.481 1.081 0 CA-C-N 119.164 0.893 . . . . 0.0 112.657 179.372 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.292 0.568 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.83 110.76 16.29 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.716 1.607 . . . . 0.0 109.994 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p -82.21 159.94 23.13 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -168.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -137.18 137.41 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.757 1.623 . . . . 0.0 108.63 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -155.57 125.76 6.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.37 1.068 . . . . 0.0 110.779 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -157.03 156.1 32.33 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.116 0.967 . . . . 0.0 112.638 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -81.19 138.69 35.82 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.532 -0.73 . . . . 0.0 112.127 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -110.54 -177.52 3.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.428 1.491 . . . . 0.0 109.363 154.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.3 t -121.4 174.0 7.02 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.762 1.625 . . . . 0.0 111.419 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.95 -47.62 74.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.636 1.574 . . . . 0.0 113.651 -162.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.37 -52.43 40.11 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -65.79 -35.88 81.94 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.326 -0.859 . . . . 0.0 112.555 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.06 -45.66 80.55 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 118.67 0.668 . . . . 0.0 111.147 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.75 -42.1 83.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.369 1.067 . . . . 0.0 112.743 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.38 -53.2 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.582 -0.699 . . . . 0.0 111.359 172.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.07 -36.11 80.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.82 0.736 . . . . 0.0 112.587 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.62 -43.45 98.77 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.963 1.705 . . . . 0.0 112.292 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -69.01 -44.66 72.32 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.696 0.798 . . . . 0.0 112.164 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.56 -35.9 77.17 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 175.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.59 -56.27 11.5 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.601 169.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.89 -27.55 31.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.345 1.458 . . . . 0.0 114.565 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.47 -25.41 25.12 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 170.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -141.22 -39.17 0.4 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.72 96.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 127.215 2.206 . . . . 0.0 109.241 -174.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.87 -14.57 15.86 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.6 t -67.48 88.64 0.21 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.07 1.348 . . . . 0.0 111.426 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.02 -37.4 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.299 1.04 . . . . 0.0 112.626 -172.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -61.75 -49.61 75.71 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -71.97 -33.08 67.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.336 0.971 . . . . 0.0 112.088 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -57.28 -48.77 78.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.028 0.931 . . . . 0.0 112.319 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.02 -44.84 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.51 0.724 . . . . 0.0 111.086 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.13 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.129 -0.982 . . . . 0.0 112.586 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -45.34 87.96 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.17 1.388 . . . . 0.0 111.754 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.84 -48.89 77.0 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.586 1.154 . . . . 0.0 112.369 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.427 HD11 HD11 ' A' ' 57' ' ' ILE . 58.1 mt -65.17 -45.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.477 0.711 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.93 -51.75 67.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.254 1.022 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -60.55 -36.99 79.78 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.797 1.239 . . . . 0.0 113.025 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.5 m -68.29 -29.62 68.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.251 1.02 . . . . 0.0 112.948 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -166.721 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 121.487 0.66 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -140.96 149.24 41.56 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.489 1.915 . . . . 0.0 110.041 -165.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.75 157.22 30.15 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.615 -0.678 . . . . 0.0 112.657 -165.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.4 t -139.4 131.66 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.245 1.418 . . . . 0.0 109.376 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 p -141.24 143.3 34.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.735 1.214 . . . . 0.0 111.123 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -165.44 -174.48 3.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.465 1.506 . . . . 0.0 111.473 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -125.23 146.18 49.64 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.811 1.244 . . . . 0.0 112.638 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.9 mt -122.77 160.47 25.89 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.06 1.744 . . . . 0.0 111.097 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 p -71.18 158.2 36.84 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.896 166.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.55 -41.6 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.771 -0.581 . . . . 0.0 111.994 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.26 -49.74 53.37 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.872 0.869 . . . . 0.0 112.546 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.75 -34.38 69.45 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.283 -0.886 . . . . 0.0 112.037 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -64.13 -43.62 94.68 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.538 171.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.43 -43.96 96.27 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.665 1.121 . . . . 0.0 112.648 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.93 -48.77 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.883 0.765 . . . . 0.0 111.262 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.9 -37.34 85.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.47 -38.51 91.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.059 1.344 . . . . 0.0 112.426 174.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -64.67 -49.95 68.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.896 1.279 . . . . 0.0 111.14 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -37.73 84.16 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.488 0.715 . . . . 0.0 111.98 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.8 68.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.977 0.911 . . . . 0.0 111.853 171.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.71 -31.72 64.77 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.458 1.026 . . . . 0.0 113.499 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.32 -8.66 19.19 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 170.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -141.14 -56.45 0.49 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.67 1.577 . . . . 0.0 114.475 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.72 94.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.98 2.912 . . . . 0.0 108.68 -173.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -10.37 8.89 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 -167.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -64.07 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.761 2.024 . . . . 0.0 112.633 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -47.17 -46.86 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 125.652 1.581 . . . . 0.0 114.406 -167.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -67.16 -33.05 74.59 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.959 -1.088 . . . . 0.0 113.366 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -73.34 -40.06 64.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 111.273 173.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -56.77 -45.97 81.78 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.654 0.781 . . . . 0.0 112.013 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -44.81 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.389 -0.82 . . . . 0.0 111.204 175.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -55.4 -46.86 76.56 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.386 0.994 . . . . 0.0 112.235 172.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -60.06 -47.45 85.82 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.666 1.587 . . . . 0.0 111.636 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -54.55 -46.72 73.7 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.524 1.53 . . . . 0.0 112.7 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.05 -48.21 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 123.605 0.762 . . . . 0.0 110.039 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tt -50.81 -59.16 4.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.874 0.87 . . . . 0.0 110.95 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -3.66 3.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 m -110.38 -10.97 14.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.144 1.378 . . . . 0.0 112.536 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 124.696 1.199 . . . . 0.0 112.508 176.435 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -128.15 104.3 7.68 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.764 1.625 . . . . 0.0 109.602 -170.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -74.8 160.87 30.16 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.03 136.42 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.717 1.607 . . . . 0.0 108.789 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.47 123.41 6.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 111.016 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -154.57 178.84 9.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.688 1.195 . . . . 0.0 112.932 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.45 150.51 50.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.603 1.561 . . . . 0.0 112.374 -172.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.06 177.22 8.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.749 2.819 . . . . 0.0 110.911 -169.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -92.1 158.08 16.39 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.388 1.075 . . . . 0.0 112.26 169.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.34 -51.47 68.14 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.351 1.06 . . . . 0.0 113.69 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -65.56 -40.11 92.43 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.627 0.771 . . . . 0.0 111.802 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -59.74 -49.39 77.9 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.099 1.36 . . . . 0.0 111.994 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.33 -44.15 97.17 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.922 -0.561 . . . . 0.0 111.424 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.45 -38.11 83.13 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.173 0.897 . . . . 0.0 113.386 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.68 -49.89 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.215 -0.928 . . . . 0.0 111.004 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.61 -37.31 80.99 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.137 0.88 . . . . 0.0 112.556 175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.4 -41.87 96.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.618 1.967 . . . . 0.0 112.378 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.82 -47.36 75.3 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.773 0.715 . . . . 0.0 111.468 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.2 -36.31 77.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.401 0.681 . . . . 0.0 112.095 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.81 -57.04 9.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.742 0.817 . . . . 0.0 111.51 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.92 -28.37 36.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.11 -20.97 60.86 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.496 1.518 . . . . 0.0 114.785 173.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -144.31 -45.37 0.25 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.2 91.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 128.273 2.629 . . . . 0.0 109.261 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -58.87 -20.2 48.95 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.1 m -66.84 92.87 0.24 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.615 1.566 . . . . 0.0 111.603 173.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.42 -39.66 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 125.039 1.336 . . . . 0.0 113.0 -172.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -57.28 -51.17 70.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.81 0.844 . . . . 0.0 113.001 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -64.89 -42.33 94.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.675 1.19 . . . . 0.0 111.835 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.67 -50.59 71.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 112.43 174.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.11 -43.27 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.735 0.698 . . . . 0.0 111.238 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.75 -50.03 69.39 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.289 0.949 . . . . 0.0 111.433 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.04 -43.56 98.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.195 1.398 . . . . 0.0 112.623 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -56.3 -47.63 78.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.135 1.374 . . . . 0.0 112.193 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.0 mt -65.71 -49.49 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tt -54.45 -50.96 66.46 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.508 0.723 . . . . 0.0 111.007 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -58.84 -40.75 85.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.332 1.053 . . . . 0.0 113.02 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.3 m -76.05 -27.07 57.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 119.568 1.076 . . . . 0.0 112.73 179.759 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -125.27 107.29 10.57 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.368 1.467 . . . . 0.0 110.151 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 p -78.94 159.84 27.52 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -169.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -138.03 134.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.48 1.512 . . . . 0.0 108.428 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -152.98 122.27 6.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.148 0.979 . . . . 0.0 111.189 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -155.54 -177.37 6.5 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.911 1.285 . . . . 0.0 112.425 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -122.94 152.85 40.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.363 1.465 . . . . 0.0 112.566 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -133.67 177.18 7.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.551 2.74 . . . . 0.0 109.19 173.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -105.82 168.95 8.77 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.632 1.173 . . . . 0.0 111.438 170.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -56.95 -42.97 81.03 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.913 1.285 . . . . 0.0 113.413 -166.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.82 -54.62 24.45 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.501 0.591 . . . . 0.0 112.554 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pm0 -63.95 -37.2 86.53 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.155 -0.966 . . . . 0.0 112.549 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -66.24 -41.55 89.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.114 0.87 . . . . 0.0 111.92 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.15 -42.26 94.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.334 1.054 . . . . 0.0 112.721 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.11 -50.34 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.342 0.657 . . . . 0.0 111.216 173.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.78 -42.61 97.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.845 0.748 . . . . 0.0 112.004 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -58.98 -47.01 86.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.144 1.378 . . . . 0.0 112.368 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -69.66 -43.97 71.47 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.772 0.715 . . . . 0.0 112.16 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.59 -32.15 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.277 0.631 . . . . 0.0 112.33 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 0.0 112.35 167.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.27 -31.59 65.74 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.314 1.046 . . . . 0.0 113.503 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.76 -21.46 65.85 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.5 -13.8 0.13 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 -169.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -135.92 -27.83 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 125.553 1.541 . . . . 0.0 113.118 -174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 65.17 0.5 1.3 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.841 2.164 . . . . 0.0 116.841 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.3 m -138.73 110.06 6.94 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.709 1.604 . . . . 0.0 110.235 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.13 -38.92 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.946 0.899 . . . . 0.0 112.787 -168.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -59.97 -49.51 77.4 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.385 -0.822 . . . . 0.0 112.699 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.16 -41.36 99.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.626 1.17 . . . . 0.0 111.539 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.09 -48.04 83.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.554 0.742 . . . . 0.0 112.382 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.37 -45.54 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 119.312 0.96 . . . . 0.0 111.802 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -38.66 87.92 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 120.588 1.54 . . . . 0.0 112.684 174.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.37 -40.67 93.82 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.984 1.314 . . . . 0.0 112.596 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -58.72 -48.97 79.32 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.592 1.557 . . . . 0.0 112.193 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.07 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.476 0.711 . . . . 0.0 110.743 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.5 -57.79 10.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.9 0.88 . . . . 0.0 111.25 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.17 -36.18 74.86 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.961 1.304 . . . . 0.0 113.538 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.0 m -68.15 -23.49 64.89 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.948 0.899 . . . . 0.0 113.073 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.479 0.978 0 C-N-CA 124.137 0.975 . . . . 0.0 112.449 -168.005 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -125.16 98.03 5.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.75 1.22 . . . . 0.0 110.135 -169.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.3 p -78.09 159.45 28.66 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.1 t -141.91 125.95 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.726 1.611 . . . . 0.0 108.844 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.4 p -143.01 137.0 29.0 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.466 1.106 . . . . 0.0 111.5 -176.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -165.62 -174.81 3.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.119 1.368 . . . . 0.0 112.187 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -126.06 152.68 45.49 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.662 1.585 . . . . 0.0 112.289 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -133.81 170.71 15.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.477 2.311 . . . . 0.0 110.326 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.7 t -78.76 158.74 28.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.568 0.747 . . . . 0.0 111.879 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.24 -52.05 67.35 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.717 1.207 . . . . 0.0 112.914 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.81 -37.76 79.44 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.863 0.465 . . . . 0.0 111.791 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.17 -51.94 67.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.93 1.292 . . . . 0.0 111.968 172.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.98 -38.44 91.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.292 0.637 . . . . 0.0 112.036 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.88 -39.26 93.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.7 -46.34 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.252 -0.905 . . . . 0.0 110.986 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.74 -40.05 86.79 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.533 0.606 . . . . 0.0 111.877 173.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.53 -40.47 97.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.378 . . . . 0.0 112.851 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.02 -47.29 80.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.279 0.945 . . . . 0.0 111.735 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -37.54 87.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.013 0.525 . . . . 0.0 111.682 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.14 82.7 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.949 0.899 . . . . 0.0 111.944 170.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.88 -32.38 69.44 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.037 -1.664 . . . . 0.0 113.082 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -66.24 -25.55 66.95 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -159.92 92.37 1.01 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.033 1.733 . . . . 0.0 113.094 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 t 70.61 85.7 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 127.155 2.182 . . . . 0.0 112.991 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -51.89 -30.59 24.74 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -170.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.5 m -60.06 92.62 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.581 1.552 . . . . 0.0 112.764 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.9 -41.32 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.997 1.319 . . . . 0.0 113.349 -166.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -64.9 -41.73 95.35 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.389 -0.819 . . . . 0.0 113.033 176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -70.68 -35.27 72.73 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.867 0.867 . . . . 0.0 112.056 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.71 -48.02 83.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.16 0.984 . . . . 0.0 112.04 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.32 -43.91 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.356 -0.84 . . . . 0.0 111.687 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -51.23 -51.7 51.49 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.354 1.062 . . . . 0.0 111.691 170.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -62.72 -42.89 99.88 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 112.565 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -55.18 -48.04 74.35 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.832 1.253 . . . . 0.0 112.405 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -46.66 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 mt -55.67 -50.29 70.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.318 0.647 . . . . 0.0 111.929 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.79 -38.04 83.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.773 0.829 . . . . 0.0 112.979 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.2 m -74.18 -32.7 63.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.805 0.842 . . . . 0.0 112.965 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 123.927 0.891 . . . . 0.0 113.265 -166.497 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 CA--C 1.542 0.64 0 CA-C-O 120.887 0.375 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.94 138.62 40.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.7 1.6 . . . . 0.0 109.456 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -119.46 155.86 31.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -162.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -136.57 124.77 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.196 1.398 . . . . 0.0 108.794 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -143.63 125.62 15.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.419 1.087 . . . . 0.0 111.375 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.89 -174.88 4.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.621 1.169 . . . . 0.0 112.649 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -130.69 152.11 50.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.687 1.595 . . . . 0.0 112.923 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.28 172.63 12.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.549 2.34 . . . . 0.0 110.638 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -77.01 158.02 30.83 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.214 1.005 . . . . 0.0 111.726 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.74 -47.5 82.27 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.626 1.17 . . . . 0.0 112.944 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.03 -42.32 80.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.995 0.518 . . . . 0.0 111.734 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -58.58 -49.9 75.76 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.48 0.712 . . . . 0.0 111.552 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.38 -40.17 96.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.171 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.87 -37.98 89.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.563 1.074 . . . . 0.0 113.253 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -62.05 -48.3 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 121.391 -0.818 . . . . 0.0 111.053 171.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.09 -41.02 91.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.704 0.684 . . . . 0.0 112.003 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -45.29 91.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.454 1.502 . . . . 0.0 112.408 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -65.11 -51.43 61.36 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.507 1.049 . . . . 0.0 111.315 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.2 tp -58.0 -37.85 75.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.27 1.028 . . . . 0.0 112.277 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -58.32 5.54 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.871 1.268 . . . . 0.0 111.555 170.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -54.98 -26.59 37.74 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.305 1.442 . . . . 0.0 114.824 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -55.16 -19.97 9.12 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 167.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -143.18 -33.01 0.45 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.1 t -148.6 95.21 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 128.259 2.624 . . . . 0.0 108.25 -169.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.87 -35.15 31.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.041 1.336 . . . . 0.0 114.141 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 m -69.74 86.67 0.49 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.631 1.572 . . . . 0.0 112.521 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.44 -43.6 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.996 1.718 . . . . 0.0 113.107 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -64.59 -39.23 93.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -73.1 -33.72 65.75 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.418 -0.801 . . . . 0.0 112.056 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -58.62 -46.06 87.89 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.935 -1.103 . . . . 0.0 111.831 166.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.16 -45.39 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.469 -0.769 . . . . 0.0 111.601 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -51.47 -50.91 58.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.176 0.99 . . . . 0.0 111.712 171.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.51 -43.52 98.72 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.213 1.405 . . . . 0.0 112.659 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.75 -47.25 77.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.82 1.248 . . . . 0.0 112.505 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.38 -51.04 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.118 0.567 . . . . 0.0 109.969 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.72 -51.54 62.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.392 0.677 . . . . 0.0 111.925 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -35.33 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.153 1.381 . . . . 0.0 113.254 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 m -81.6 -38.39 26.13 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.691 0.796 . . . . 0.0 112.563 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mm . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 124.551 1.14 . . . . 0.0 112.77 -172.008 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 . . . . . 0 CA--C 1.54 0.583 0 CA-C-O 121.407 0.622 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.14 112.09 16.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.906 1.683 . . . . 0.0 110.333 -173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 18.2 p -87.25 159.2 18.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -166.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.64 123.57 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.336 1.454 . . . . 0.0 108.437 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.5 p -143.69 125.31 14.95 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.321 1.048 . . . . 0.0 111.673 -171.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.44 -178.51 7.19 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.227 1.011 . . . . 0.0 113.259 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -123.96 155.22 38.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.102 1.761 . . . . 0.0 112.961 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.5 mt -143.05 174.35 10.76 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 128.915 2.886 . . . . 0.0 110.343 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -84.23 158.8 21.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.789 1.236 . . . . 0.0 111.703 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.29 -48.69 76.14 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.31 1.044 . . . . 0.0 113.516 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.41 -38.44 81.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.939 0.496 . . . . 0.0 112.26 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -62.42 -49.02 77.13 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.672 -0.642 . . . . 0.0 111.456 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -63.01 -38.17 90.13 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.983 -0.448 . . . . 0.0 112.16 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.19 -43.13 96.13 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.874 0.761 . . . . 0.0 112.534 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.82 -46.83 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.31 0.959 . . . . 0.0 111.54 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.29 -44.14 95.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.409 1.004 . . . . 0.0 111.961 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -60.7 -41.54 95.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 112.514 175.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -64.81 -49.6 70.0 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.176 1.39 . . . . 0.0 111.75 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.39 -34.68 77.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.061 0.945 . . . . 0.0 112.298 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.14 20.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.39 0.676 . . . . 0.0 111.755 170.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.47 -24.9 48.91 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.514 1.925 . . . . 0.0 114.39 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.6 -21.45 2.58 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 166.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -136.14 -50.47 0.7 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.556 1.542 . . . . 0.0 113.503 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.58 108.36 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.568 2.747 . . . . 0.0 108.653 -175.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.01 71.3 0.09 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.205 1.802 . . . . 0.0 113.685 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.4 m -143.39 74.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.281 2.232 . . . . 0.0 110.199 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.86 -38.41 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.531 1.132 . . . . 0.0 113.162 -172.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -56.83 -52.99 62.91 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.017 0.927 . . . . 0.0 113.079 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.8 t -65.79 -42.21 91.01 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.544 1.138 . . . . 0.0 111.66 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -56.78 -50.83 71.13 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.547 1.139 . . . . 0.0 112.158 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.67 -43.05 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.533 0.606 . . . . 0.0 111.408 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.74 -54.69 34.49 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.97 0.805 . . . . 0.0 112.004 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -68.46 -34.14 75.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -54.07 -48.51 70.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.35 1.06 . . . . 0.0 111.842 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.34 -48.08 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.357 0.663 . . . . 0.0 110.679 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.24 -14.72 52.49 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -110.47 10.47 23.23 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.696 1.998 . . . . 0.0 113.359 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -131.47 -39.26 1.15 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.278 1.031 . . . . 0.0 113.549 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 N--CA 1.479 0.991 0 C-N-CA 124.245 1.018 . . . . 0.0 111.304 168.131 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -129.29 111.06 12.48 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.027 1.731 . . . . 0.0 109.727 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 p -81.85 158.09 24.16 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -166.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.85 125.93 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.612 1.565 . . . . 0.0 108.833 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 p -143.69 121.12 11.67 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.192 0.997 . . . . 0.0 111.838 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.91 -172.17 4.1 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.345 1.058 . . . . 0.0 112.697 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.84 151.55 48.18 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.729 1.612 . . . . 0.0 112.718 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.68 173.81 10.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.375 2.27 . . . . 0.0 110.217 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -82.05 156.54 24.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.115 0.966 . . . . 0.0 111.748 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -55.48 -52.81 62.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.292 1.037 . . . . 0.0 113.568 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.72 -40.84 88.57 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.98 0.512 . . . . 0.0 112.049 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -58.41 -52.12 66.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.103 0.961 . . . . 0.0 111.763 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -62.22 -40.87 97.54 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.018 0.527 . . . . 0.0 111.999 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -42.15 98.82 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.6 -48.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.228 -0.92 . . . . 0.0 110.836 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.29 -35.14 76.51 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.714 -0.616 . . . . 0.0 112.224 175.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -63.93 -43.73 95.02 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.334 1.454 . . . . 0.0 112.555 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -66.14 -44.45 84.14 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.16 0.891 . . . . 0.0 111.847 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.69 -37.08 80.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.02 0.528 . . . . 0.0 112.348 173.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.37 76.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.791 0.837 . . . . 0.0 112.625 172.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.96 -33.31 71.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.694 1.134 . . . . 0.0 112.516 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.99 -10.6 58.31 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 171.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -136.46 -48.4 0.64 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -165.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -142.25 -7.82 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.843 1.657 . . . . 0.0 114.879 -169.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 69.93 6.21 5.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.6 p -147.56 133.81 19.48 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.895 -1.128 . . . . 0.0 113.355 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -69.05 -38.85 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.915 0.886 . . . . 0.0 112.265 -169.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -68.39 -38.11 81.01 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 112.671 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.418 0.687 . . . . 0.0 111.489 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.87 -42.76 90.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.773 0.829 . . . . 0.0 112.876 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -43.21 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 121.323 -0.861 . . . . 0.0 111.969 172.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.65 -40.66 92.82 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.816 -1.178 . . . . 0.0 111.643 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.56 -44.76 95.53 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.246 1.418 . . . . 0.0 112.583 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -54.63 -40.84 69.37 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.351 1.061 . . . . 0.0 112.289 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -68.83 -43.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.058 -1.026 . . . . 0.0 110.99 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.54 -8.63 14.62 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.93 -24.64 13.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.921 1.688 . . . . 0.0 114.431 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -128.36 -10.02 5.2 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -168.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 126.818 2.047 . . . . 0.0 110.682 173.042 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.18 109.1 12.45 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.379 1.472 . . . . 0.0 110.14 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 25.5 p -82.87 158.09 22.83 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -166.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -140.42 122.42 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 108.532 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.8 p -142.97 121.7 12.61 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.19 0.996 . . . . 0.0 112.113 -170.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -157.1 -173.24 4.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -129.33 148.71 51.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.601 1.56 . . . . 0.0 112.532 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -127.9 172.78 10.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.617 2.367 . . . . 0.0 110.666 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -80.15 160.93 25.52 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.963 0.905 . . . . 0.0 111.871 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.55 -52.48 64.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.282 1.033 . . . . 0.0 112.9 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.53 -40.01 85.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.852 0.461 . . . . 0.0 111.53 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.06 -53.4 57.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.936 1.294 . . . . 0.0 111.9 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.48 -38.1 88.78 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.341 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.84 -42.97 99.95 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.798 1.181 . . . . 0.0 113.14 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.78 -46.79 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.495 -0.753 . . . . 0.0 110.718 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.24 -39.13 85.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.686 0.675 . . . . 0.0 112.304 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.61 -40.78 98.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.917 1.287 . . . . 0.0 112.288 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -63.71 -51.65 64.07 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.146 0.978 . . . . 0.0 111.816 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -32.56 74.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.586 0.754 . . . . 0.0 112.482 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -55.45 14.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.064 0.946 . . . . 0.0 111.47 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.83 -27.77 44.7 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.512 1.525 . . . . 0.0 114.219 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.03 -26.08 24.6 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -143.2 -44.16 0.29 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -147.07 88.36 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.133 2.573 . . . . 0.0 109.645 -174.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.18 -16.12 12.35 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -170.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -65.94 84.5 0.08 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.113 1.765 . . . . 0.0 112.001 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.413 HG23 ' H ' ' B' ' 49' ' ' VAL . 3.1 t -51.8 -39.68 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.429 1.492 . . . . 0.0 113.172 -174.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -62.89 -42.1 99.65 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 175.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -66.14 -42.68 88.78 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.242 1.017 . . . . 0.0 111.426 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.3 -46.33 79.83 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.885 0.874 . . . . 0.0 112.548 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.88 -44.99 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.404 -0.81 . . . . 0.0 111.648 174.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.64 -44.16 72.96 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 0.0 112.39 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -65.2 -44.52 88.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.56 1.544 . . . . 0.0 112.349 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -53.99 -49.57 68.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.692 0.797 . . . . 0.0 111.862 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.84 -51.71 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.642 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 51.0 tp -54.91 -53.57 53.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.152 0.981 . . . . 0.0 111.847 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.34 -37.72 88.38 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 58.3 m -70.86 -37.76 73.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.316 0.646 . . . . 0.0 112.209 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.6 mt . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 173.805 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 121.775 0.798 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -141.87 147.06 36.53 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.646 1.978 . . . . 0.0 109.887 -165.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.04 157.34 26.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -164.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -137.65 125.07 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.082 1.353 . . . . 0.0 109.09 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -141.68 126.6 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.641 1.176 . . . . 0.0 111.895 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -158.25 -173.4 4.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.603 1.161 . . . . 0.0 112.13 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.93 152.51 45.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.478 1.511 . . . . 0.0 112.069 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.81 173.8 10.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.965 2.106 . . . . 0.0 110.022 172.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -81.15 157.7 25.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.952 0.901 . . . . 0.0 111.589 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.71 -49.72 74.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.073 0.949 . . . . 0.0 113.198 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.99 -42.04 94.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.429 0.692 . . . . 0.0 111.632 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.31 -48.0 81.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.406 1.082 . . . . 0.0 112.242 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.06 -39.77 94.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.029 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.74 -45.27 92.69 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.668 1.122 . . . . 0.0 112.997 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.83 -52.01 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.243 0.617 . . . . 0.0 110.85 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.14 -34.24 77.19 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 112.796 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.47 -41.78 96.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.286 1.434 . . . . 0.0 112.438 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.9 ttp-105 -68.91 -45.33 71.15 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.035 0.934 . . . . 0.0 112.572 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.49 -36.09 77.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.756 0.822 . . . . 0.0 112.34 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.32 31.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.016 0.926 . . . . 0.0 111.71 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -54.88 -27.28 41.5 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 114.255 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -54.26 -25.63 24.47 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 169.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -142.58 -45.19 0.32 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.18 87.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 127.858 2.463 . . . . 0.0 109.833 -173.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.78 -18.23 11.97 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -169.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -66.08 86.8 0.1 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.629 1.572 . . . . 0.0 112.073 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.33 -41.3 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 125.302 1.441 . . . . 0.0 113.687 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -67.46 -31.48 71.68 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.015 -1.053 . . . . 0.0 113.203 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 t -75.84 -33.38 60.04 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.801 0.84 . . . . 0.0 111.614 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.65 -40.64 95.64 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.007 -1.058 . . . . 0.0 112.264 167.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.9 -43.09 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.43 -46.49 76.69 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.158 -0.964 . . . . 0.0 111.926 172.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.53 -47.58 84.99 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.893 1.277 . . . . 0.0 112.072 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -51.79 -44.9 63.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.359 1.064 . . . . 0.0 112.261 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.48 -49.17 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.737 0.815 . . . . 0.0 111.165 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.37 -12.31 13.65 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.388 1.475 . . . . 0.0 114.718 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -119.09 9.04 11.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.213 1.805 . . . . 0.0 114.13 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -137.25 -41.36 0.57 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 N--CA 1.481 1.104 0 CA-C-N 119.242 0.928 . . . . 0.0 110.421 169.703 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -128.26 108.06 10.29 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.367 1.467 . . . . 0.0 109.949 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -80.36 158.7 25.96 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -166.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -138.75 128.76 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.975 1.71 . . . . 0.0 108.193 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.5 119.62 6.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.052 0.941 . . . . 0.0 111.761 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -153.56 178.75 9.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.529 1.132 . . . . 0.0 113.131 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -126.38 151.03 48.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.654 1.581 . . . . 0.0 112.605 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -138.91 -174.21 3.78 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 128.758 2.823 . . . . 0.0 109.795 -177.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -101.2 158.35 16.09 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.898 1.279 . . . . 0.0 111.699 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.63 -53.53 55.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.652 0.781 . . . . 0.0 112.645 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.63 -38.33 87.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.981 0.512 . . . . 0.0 112.237 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.91 -50.13 72.08 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.487 0.715 . . . . 0.0 112.051 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -63.39 -36.97 85.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.595 0.634 . . . . 0.0 112.29 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.9 -50.58 72.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.588 1.555 . . . . 0.0 111.657 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -59.78 -44.43 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 121.324 -0.86 . . . . 0.0 111.686 174.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.06 -39.24 77.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.93 0.786 . . . . 0.0 111.579 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 117.453 -1.26 . . . . 0.0 112.831 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -63.5 -49.55 73.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 121.081 1.764 . . . . 0.0 111.834 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.41 -33.06 74.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.393 0.677 . . . . 0.0 112.181 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -53.22 32.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.564 0.745 . . . . 0.0 111.739 168.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -22.83 52.43 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.439 1.896 . . . . 0.0 114.269 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -50.77 -23.38 2.68 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 164.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.61 -44.85 0.54 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.422 1.489 . . . . 0.0 114.073 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -167.93 108.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 128.023 2.529 . . . . 0.0 108.521 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.32 -12.77 9.97 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -167.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -58.09 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.326 1.851 . . . . 0.0 113.048 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.78 -42.1 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.399 1.08 . . . . 0.0 112.992 -167.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.9 -44.31 73.45 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 79.4 p -72.2 -31.22 65.68 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.108 0.867 . . . . 0.0 112.203 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -58.34 -49.27 77.81 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.787 0.835 . . . . 0.0 112.114 166.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.73 -44.34 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.47 -0.769 . . . . 0.0 111.401 175.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -53.73 -49.93 67.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.259 0.936 . . . . 0.0 111.839 172.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -62.25 -42.22 99.13 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.009 1.324 . . . . 0.0 112.575 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -57.1 -49.37 76.09 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.868 0.867 . . . . 0.0 112.329 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.13 -48.83 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.076 0.951 . . . . 0.0 110.76 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.44 -53.92 44.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.881 1.273 . . . . 0.0 111.606 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.53 -30.09 71.26 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.41 1.484 . . . . 0.0 113.724 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.2 m -73.11 -41.83 63.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.203 0.601 . . . . 0.0 111.756 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.11 0.564 . . . . 0.0 112.054 -172.084 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 . . . . . 0 CA--C 1.54 0.57 0 CA-C-O 121.388 0.613 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -120.33 110.09 16.13 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.544 1.937 . . . . 0.0 109.519 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 p -74.98 156.89 35.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -138.04 132.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.383 1.473 . . . . 0.0 108.733 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -154.88 126.26 7.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.471 1.108 . . . . 0.0 110.652 -172.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -158.77 162.01 37.04 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.935 0.894 . . . . 0.0 112.798 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.67 140.96 29.05 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 112.379 170.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.0 mt -117.75 -178.51 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.939 2.096 . . . . 0.0 109.385 161.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -121.63 174.58 6.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.138 1.775 . . . . 0.0 111.677 172.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.01 -49.59 73.26 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.82 1.648 . . . . 0.0 113.184 -162.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.25 -55.72 25.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.822 0.737 . . . . 0.0 112.536 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 pm0 -63.39 -39.2 93.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.495 -0.753 . . . . 0.0 112.317 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.59 -42.22 91.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.684 0.674 . . . . 0.0 111.529 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.08 -39.27 92.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.067 0.849 . . . . 0.0 112.852 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -47.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.183 0.901 . . . . 0.0 110.876 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.51 -47.31 86.03 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.057 0.844 . . . . 0.0 111.955 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -54.34 -48.17 71.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.224 1.81 . . . . 0.0 112.358 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -67.59 -49.49 62.89 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.223 1.409 . . . . 0.0 112.107 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.77 -30.55 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.14 0.576 . . . . 0.0 112.236 177.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.38 16.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.667 0.667 . . . . 0.0 111.284 167.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.83 -30.04 60.77 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.233 1.413 . . . . 0.0 114.37 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.51 -17.85 24.57 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -142.13 -50.39 0.39 Allowed 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.168 1.349 . . . . 0.0 114.545 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -148.86 95.19 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.496 2.318 . . . . 0.0 108.149 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.02 -8.06 4.77 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -171.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.4 t -65.54 84.63 0.07 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.39 . . . . 0.0 111.733 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 t -56.18 -39.66 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.523 1.129 . . . . 0.0 112.73 -171.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -63.91 -40.94 97.66 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.039 -1.038 . . . . 0.0 113.271 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.6 t -66.87 -44.29 81.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.197 0.999 . . . . 0.0 111.368 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -57.45 -46.94 83.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.366 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.64 -42.24 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.186 0.994 . . . . 0.0 111.418 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.34 -48.15 79.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.33 0.968 . . . . 0.0 111.952 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -64.5 -39.56 94.01 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -56.13 -48.63 75.87 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.559 1.144 . . . . 0.0 111.786 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.91 -45.29 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 124.401 1.081 . . . . 0.0 111.338 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.47 -53.25 54.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.248 0.619 . . . . 0.0 111.595 172.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -61.14 -49.09 78.64 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.26 1.024 . . . . 0.0 112.646 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.7 p -69.95 -30.26 67.59 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 119.312 0.96 . . . . 0.0 111.13 169.876 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 CA--C 1.543 0.692 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -132.32 76.7 1.71 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.547 1.139 . . . . 0.0 111.871 -165.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -66.1 150.18 49.13 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.253 -0.904 . . . . 0.0 113.436 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.29 133.61 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.607 2.363 . . . . 0.0 108.81 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.0 p -142.72 140.84 31.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.673 1.189 . . . . 0.0 112.634 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -168.68 -167.33 0.76 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.433 1.893 . . . . 0.0 111.221 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -128.26 153.45 46.95 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.478 1.511 . . . . 0.0 112.452 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 99.6 mt -130.32 179.7 5.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.9 2.08 . . . . 0.0 109.74 168.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.3 m -89.26 149.97 22.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.868 0.867 . . . . 0.0 111.562 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -44.82 -54.24 6.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.016 1.726 . . . . 0.0 114.869 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -71.75 -36.39 70.41 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -61.27 -47.23 86.95 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.694 0.798 . . . . 0.0 111.439 170.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -61.99 -37.9 86.58 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.183 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.39 -40.04 95.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.991 0.916 . . . . 0.0 113.433 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.43 -45.92 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.097 -1.002 . . . . 0.0 110.674 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.9 -31.59 72.62 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.122 0.873 . . . . 0.0 113.348 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -58.89 -50.68 73.11 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.075 1.307 . . . . 0.0 111.037 168.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.04 -48.57 81.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.943 0.792 . . . . 0.0 112.601 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.51 -36.58 84.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.484 0.714 . . . . 0.0 112.504 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.69 73.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.752 0.706 . . . . 0.0 111.973 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -57.06 -29.77 63.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.647 1.112 . . . . 0.0 113.021 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.49 -29.37 70.49 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -153.19 2.12 0.28 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 -168.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -144.7 -37.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.861 1.665 . . . . 0.0 113.093 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 69.8 4.37 4.72 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.098 2.159 . . . . 0.0 115.25 -174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.3 m -144.12 115.24 7.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.368 1.467 . . . . 0.0 111.462 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.39 -37.96 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.589 0.756 . . . . 0.0 112.861 -172.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -56.2 -51.25 68.73 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.054 0.843 . . . . 0.0 112.4 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -70.99 -30.61 66.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.861 0.865 . . . . 0.0 112.222 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.54 -45.47 86.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 120.99 -1.069 . . . . 0.0 112.827 171.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.75 -38.37 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.262 -0.899 . . . . 0.0 110.856 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.89 -52.88 55.9 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.078 0.854 . . . . 0.0 111.828 166.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.2 -48.2 76.86 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.219 1.008 . . . . 0.0 112.067 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -54.45 -42.99 71.24 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.286 1.434 . . . . 0.0 112.943 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.46 -51.3 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.038 0.935 . . . . 0.0 110.821 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.12 -36.01 76.52 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.18 -8.01 35.01 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.908 1.448 . . . . 0.0 114.908 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.1 m -124.27 -39.28 2.35 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.545 1.138 . . . . 0.0 112.503 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 38.4 mm . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 124.865 1.266 . . . . 0.0 112.742 178.944 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -130.64 113.25 13.96 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.287 1.435 . . . . 0.0 110.198 -172.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 p -88.5 159.92 17.73 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -168.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -138.08 124.4 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.339 1.455 . . . . 0.0 108.561 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.3 p -142.98 129.87 20.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.803 1.241 . . . . 0.0 111.755 -174.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -159.23 -175.41 5.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.805 1.242 . . . . 0.0 111.898 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -125.3 155.69 39.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.245 1.418 . . . . 0.0 112.443 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt -133.85 169.43 17.08 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.656 2.382 . . . . 0.0 109.926 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -78.31 159.73 28.26 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.485 0.714 . . . . 0.0 111.414 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -59.42 -51.41 70.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.636 1.174 . . . . 0.0 113.038 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.38 -39.67 81.68 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.893 0.477 . . . . 0.0 111.813 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.21 -50.8 72.28 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.217 1.407 . . . . 0.0 112.026 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.94 -41.87 99.63 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.377 0.671 . . . . 0.0 111.673 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.7 -38.07 89.74 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.4 -47.35 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 110.973 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.38 -37.31 85.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.21 0.914 . . . . 0.0 112.538 173.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.61 -48.38 81.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.874 1.27 . . . . 0.0 111.653 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.54 -47.01 88.05 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.403 1.002 . . . . 0.0 111.714 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.0 -34.76 76.78 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.758 0.823 . . . . 0.0 112.659 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.98 -43.09 55.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 112.968 171.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -55.8 -36.82 67.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.51 1.524 . . . . 0.0 112.139 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.46 -21.6 64.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -154.36 -12.89 0.13 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 118.237 2.681 . . . . 0.0 118.237 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -133.97 -21.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.417 1.487 . . . . 0.0 113.36 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 70.77 3.35 4.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.846 1.658 . . . . 0.0 114.842 173.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 t -151.69 125.2 8.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.3 1.44 . . . . 0.0 111.426 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.76 -45.47 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.884 0.873 . . . . 0.0 111.662 -175.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.04 -35.14 76.26 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.399 -0.813 . . . . 0.0 112.327 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -65.08 -45.34 85.68 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.687 0.676 . . . . 0.0 111.375 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.57 -45.1 85.59 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.312 1.045 . . . . 0.0 112.514 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.94 -49.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.566 0.746 . . . . 0.0 111.814 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -55.46 -48.19 74.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.233 0.924 . . . . 0.0 111.978 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -58.93 -44.79 91.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.965 1.306 . . . . 0.0 112.203 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -56.91 -46.76 81.76 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.02 0.928 . . . . 0.0 112.704 174.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.085 0.554 . . . . 0.0 110.402 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.69 -54.13 50.35 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.549 0.613 . . . . 0.0 111.61 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -42.44 49.74 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.315 1.446 . . . . 0.0 113.14 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 m -87.02 -33.41 19.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.878 0.871 . . . . 0.0 111.318 -177.373 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 . . . . . 0 CA--C 1.542 0.656 0 CA-C-O 121.151 0.501 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.35 109.2 10.57 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.124 1.77 . . . . 0.0 109.517 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 52.3 p -81.05 158.98 24.91 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -167.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -135.44 131.95 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.794 1.638 . . . . 0.0 108.077 174.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -151.72 128.04 10.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.212 1.005 . . . . 0.0 111.797 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -159.11 179.62 8.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.034 1.334 . . . . 0.0 112.597 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -127.93 147.11 50.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.606 1.562 . . . . 0.0 112.225 -177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.65 172.95 11.86 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.226 2.21 . . . . 0.0 110.731 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -81.05 157.85 25.29 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.605 1.162 . . . . 0.0 111.13 174.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -57.12 -48.39 78.77 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.618 0.767 . . . . 0.0 112.943 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.11 -36.5 82.05 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -62.84 -50.89 69.17 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.419 0.688 . . . . 0.0 110.745 174.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -63.33 -37.43 87.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.18 -41.87 99.27 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.24 0.927 . . . . 0.0 113.008 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.03 -49.38 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.675 -0.641 . . . . 0.0 111.001 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.33 -44.17 88.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.634 0.652 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.99 -43.66 95.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.976 1.311 . . . . 0.0 112.279 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.26 -51.59 62.84 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.293 0.951 . . . . 0.0 111.903 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -36.89 79.98 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.476 0.71 . . . . 0.0 111.665 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -60.9 2.48 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.685 1.194 . . . . 0.0 111.673 170.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.48 -20.98 34.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.603 1.561 . . . . 0.0 114.664 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -48.59 -28.04 3.18 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 164.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.58 -21.59 0.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -147.71 94.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 127.876 2.471 . . . . 0.0 108.394 -173.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.4 -35.32 38.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.708 1.203 . . . . 0.0 114.048 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -70.43 88.37 0.66 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.695 1.598 . . . . 0.0 112.639 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 t -51.01 -41.04 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.503 1.521 . . . . 0.0 113.069 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -67.67 -37.13 81.93 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -68.95 -39.69 79.39 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.93 0.892 . . . . 0.0 111.478 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -57.24 -44.39 83.78 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.58 -0.7 . . . . 0.0 112.114 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -45.25 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.288 -0.882 . . . . 0.0 111.994 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -53.76 -46.82 71.07 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.319 0.963 . . . . 0.0 111.823 173.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -62.49 -45.32 93.55 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.052 1.341 . . . . 0.0 112.563 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.26 -35.44 69.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.473 1.509 . . . . 0.0 113.367 175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.43 -47.5 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.806 0.842 . . . . 0.0 110.622 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.54 -30.4 68.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.809 0.843 . . . . 0.0 112.975 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -64.92 78.04 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.444 1.897 . . . . 0.0 112.992 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.6 28.21 5.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.408 1.483 . . . . 0.0 114.785 159.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 tt . . . . . 0 N--CA 1.483 1.192 0 O-C-N 120.578 -1.326 . . . . 0.0 112.424 162.859 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 121.343 0.592 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -126.87 110.55 13.17 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.578 1.951 . . . . 0.0 109.312 -173.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.7 p -80.62 157.21 26.05 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -166.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.22 131.38 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.746 1.618 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -143.59 136.52 27.58 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.724 1.21 . . . . 0.0 111.442 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -165.28 -170.67 1.95 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.099 1.36 . . . . 0.0 112.199 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -126.98 151.32 48.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.009 1.724 . . . . 0.0 112.599 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -130.45 170.83 13.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.116 2.166 . . . . 0.0 110.672 173.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -82.15 162.13 22.57 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.193 0.997 . . . . 0.0 112.557 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -56.28 -58.76 6.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.79 1.236 . . . . 0.0 113.344 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.21 -35.97 71.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.406 0.682 . . . . 0.0 111.887 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.48 -53.7 54.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.69 1.196 . . . . 0.0 111.779 173.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.42 -43.22 95.06 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.83 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.57 -40.23 93.99 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.22 -47.7 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.948 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.02 -39.13 88.6 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.331 0.969 . . . . 0.0 112.257 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -42.13 96.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.522 1.529 . . . . 0.0 112.751 172.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.5 -49.64 68.24 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.448 1.022 . . . . 0.0 111.79 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.6 -33.35 74.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.11 0.964 . . . . 0.0 112.332 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -60.72 2.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.612 0.765 . . . . 0.0 111.208 168.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -54.23 -27.53 35.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.369 1.468 . . . . 0.0 114.783 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.55 -26.56 32.87 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -141.54 -35.65 0.45 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.94 91.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 128.301 2.641 . . . . 0.0 109.557 -173.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.66 50.44 0.05 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 127.453 2.301 . . . . 0.0 116.483 -177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -145.85 95.51 2.65 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.928 2.491 . . . . 0.0 109.814 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -59.82 -40.99 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.729 0.812 . . . . 0.0 111.695 -173.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -64.31 -40.17 95.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.576 -0.703 . . . . 0.0 112.707 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -64.61 -45.9 84.95 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.741 0.701 . . . . 0.0 111.351 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -59.43 -45.35 91.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.042 0.937 . . . . 0.0 113.056 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.43 -47.79 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.426 -0.796 . . . . 0.0 111.37 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -53.15 -46.31 68.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.708 0.803 . . . . 0.0 111.775 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -62.23 -45.39 93.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.197 1.799 . . . . 0.0 112.469 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.01 -49.44 71.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.692 1.197 . . . . 0.0 112.221 173.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' B' ' 57' ' ' ILE . 57.5 mt -62.92 -50.96 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.727 0.811 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.35 -53.85 53.49 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.793 1.237 . . . . 0.0 111.893 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.27 -29.1 70.49 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.8 m -71.93 -42.81 66.22 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.272 0.487 . . . . 0.0 111.606 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.71 0.804 . . . . 0.0 112.146 -179.397 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 121.245 0.545 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -119.34 106.23 12.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.803 1.641 . . . . 0.0 109.938 -173.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 24.5 p -78.67 158.65 28.32 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.98 132.32 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.294 1.437 . . . . 0.0 109.427 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.0 p -143.9 135.2 25.77 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 111.307 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -162.84 -175.12 4.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.778 1.231 . . . . 0.0 112.462 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.53 152.3 37.2 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.853 1.661 . . . . 0.0 112.275 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.26 171.63 12.28 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.248 2.219 . . . . 0.0 110.054 171.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -77.42 161.44 27.98 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.137 0.575 . . . . 0.0 111.744 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.96 -54.13 48.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.103 . . . . 0.0 112.762 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -33.82 73.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.859 0.463 . . . . 0.0 112.031 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.62 -53.61 55.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.244 1.417 . . . . 0.0 111.855 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -60.64 -40.9 93.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.639 -0.663 . . . . 0.0 111.738 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.64 -45.8 91.14 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.74 -37.52 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.291 0.95 . . . . 0.0 112.165 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.05 -38.9 92.75 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.372 0.987 . . . . 0.0 111.682 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttp-105 -63.21 -40.47 97.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.853 0.861 . . . . 0.0 111.961 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -62.73 -46.52 87.7 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.838 1.199 . . . . 0.0 112.197 174.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.81 -33.16 73.63 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.969 0.908 . . . . 0.0 112.389 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.8 20.63 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.579 0.752 . . . . 0.0 111.729 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -55.54 -22.68 22.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.025 2.13 . . . . 0.0 114.921 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -49.19 -23.09 1.17 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.52 -39.16 0.22 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -157.19 101.65 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.783 2.433 . . . . 0.0 109.423 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.03 78.68 0.49 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 123.099 1.428 . . . . 0.0 113.423 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -147.95 82.74 1.51 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.403 1.881 . . . . 0.0 111.659 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 m -51.3 -36.93 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -58.83 -53.02 63.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.694 0.798 . . . . 0.0 112.208 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -45.7 83.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.182 0.993 . . . . 0.0 111.703 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.62 -48.9 79.87 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.023 0.929 . . . . 0.0 112.638 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.61 -41.55 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.669 -0.644 . . . . 0.0 111.433 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -56.77 -45.16 82.27 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.665 1.12 . . . . 0.0 112.087 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -64.04 -43.11 96.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.793 1.237 . . . . 0.0 112.646 174.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -54.36 -49.61 69.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 111.955 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 57' ' ' ILE . 61.9 mt -63.28 -49.95 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.994 0.917 . . . . 0.0 110.661 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -53.92 -56.23 19.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.353 0.661 . . . . 0.0 111.118 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.99 -39.51 92.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.133 . . . . 0.0 113.464 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -72.25 -28.02 62.88 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 N--CA 1.474 0.751 0 C-N-CA 123.868 0.867 . . . . 0.0 111.194 170.471 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m120 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -127.49 105.63 8.63 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.277 1.431 . . . . 0.0 110.238 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.2 p -77.73 156.73 30.43 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -140.45 134.21 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.503 1.521 . . . . 0.0 108.857 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.98 119.51 5.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.052 0.941 . . . . 0.0 110.642 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -156.3 156.53 34.15 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 25' ' ' SER . 7.6 m-85 -82.51 147.04 28.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.412 1.085 . . . . 0.0 112.963 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.35 170.34 13.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.963 2.105 . . . . 0.0 110.693 170.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -81.3 163.16 23.13 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.955 0.902 . . . . 0.0 112.267 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -59.8 -58.85 6.79 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.789 0.836 . . . . 0.0 112.92 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.56 -34.61 77.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.371 0.668 . . . . 0.0 112.083 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.74 -52.56 64.94 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -63.71 -38.7 92.1 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.409 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.21 -46.31 86.08 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.669 1.122 . . . . 0.0 112.522 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.05 -48.67 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.926 0.89 . . . . 0.0 110.985 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.44 -37.33 77.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.908 0.777 . . . . 0.0 112.19 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -64.58 -44.99 88.94 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.664 1.186 . . . . 0.0 112.119 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.32 79.82 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 112.153 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -33.46 74.71 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.73 -49.43 62.63 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.709 0.686 . . . . 0.0 111.936 169.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.39 -29.06 63.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.404 1.082 . . . . 0.0 113.336 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -27.1 68.53 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.39 -11.3 0.1 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 118.222 2.675 . . . . 0.0 118.222 -167.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -134.48 -25.56 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.72 1.608 . . . . 0.0 113.177 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 69.21 6.32 5.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.532 1.933 . . . . 0.0 115.636 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 t -150.37 136.15 18.33 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.974 -1.079 . . . . 0.0 112.458 168.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.74 -41.08 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.574 0.75 . . . . 0.0 112.444 -167.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -73.4 -37.13 66.06 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.214 0.915 . . . . 0.0 113.119 -175.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 p -71.32 -36.55 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.071 0.85 . . . . 0.0 111.899 171.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.8 -49.0 78.1 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.822 0.737 . . . . 0.0 112.103 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.21 -40.31 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.82 0.848 . . . . 0.0 111.741 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.13 -52.59 62.8 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.74 1.155 . . . . 0.0 111.865 171.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -63.31 -39.92 95.9 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.13 0.972 . . . . 0.0 112.664 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -56.93 -50.64 71.97 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.916 1.287 . . . . 0.0 111.929 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.435 HG12 HD11 ' B' ' 57' ' ' ILE . 74.5 mt -65.27 -44.41 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 111.231 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 tp -53.89 -57.9 9.24 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.654 0.781 . . . . 0.0 110.402 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.42 -34.46 73.99 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.416 1.086 . . . . 0.0 113.586 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -69.37 -26.0 64.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.12 0.968 . . . . 0.0 113.494 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.483 1.201 0 CA-C-N 119.53 1.059 . . . . 0.0 113.372 -176.007 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -125.22 99.92 6.3 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.254 1.422 . . . . 0.0 110.612 -171.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 15.9 t -79.45 152.38 30.32 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -132.97 130.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.674 1.99 . . . . 0.0 108.415 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -139.05 128.0 23.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.619 1.168 . . . . 0.0 111.856 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -161.81 -172.57 3.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.207 -170.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -131.12 150.49 52.12 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.711 1.604 . . . . 0.0 112.069 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.31 177.62 7.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.14 2.176 . . . . 0.0 110.029 171.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.3 m -87.78 158.23 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.576 1.15 . . . . 0.0 111.911 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -53.8 -54.25 40.95 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.43 1.092 . . . . 0.0 113.49 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.54 -38.31 84.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.778 0.431 . . . . 0.0 112.064 -175.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.68 -51.33 69.85 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.87 0.868 . . . . 0.0 111.775 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -62.41 -39.28 92.74 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.199 0.599 . . . . 0.0 112.021 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.76 -39.97 91.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.93 -45.62 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.203 0.91 . . . . 0.0 110.927 172.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.65 -39.88 89.96 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.692 -0.63 . . . . 0.0 111.577 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -61.68 -36.95 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.251 1.02 . . . . 0.0 112.739 171.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -63.98 -52.1 61.2 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.714 1.143 . . . . 0.0 111.595 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.14 -29.0 70.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.493 0.717 . . . . 0.0 112.416 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.65 41.72 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.519 0.728 . . . . 0.0 111.749 166.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.63 -20.18 54.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.502 1.921 . . . . 0.0 114.464 -178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -50.17 -19.77 0.85 Allowed 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 161.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -148.77 -39.3 0.16 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.64 107.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 127.288 2.235 . . . . 0.0 109.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.42 -9.48 34.38 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -164.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 p -58.54 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.687 1.595 . . . . 0.0 113.575 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.88 -45.41 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.713 1.205 . . . . 0.0 113.126 -164.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -64.36 -43.84 93.26 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -65.91 -40.3 91.37 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.956 0.902 . . . . 0.0 112.13 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -58.74 -50.51 73.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.075 0.95 . . . . 0.0 112.091 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.68 -42.4 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.926 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -54.56 -52.21 62.82 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.839 1.2 . . . . 0.0 111.504 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.07 -47.49 85.66 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.479 1.112 . . . . 0.0 112.452 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -57.5 -45.43 84.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.212 1.405 . . . . 0.0 112.385 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 57' ' ' ILE . 19.3 mm -75.48 -40.61 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.288 1.035 . . . . 0.0 111.417 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.51 -51.83 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.074 0.852 . . . . 0.0 110.729 170.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.54 -49.22 73.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.832 0.853 . . . . 0.0 112.489 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -63.17 -39.28 94.19 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.006 0.922 . . . . 0.0 112.836 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.471 0.617 0 C-N-CA 124.536 1.134 . . . . 0.0 112.014 178.612 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 120.166 0.031 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -137.15 163.57 30.52 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 126.058 1.743 . . . . 0.0 111.743 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -139.31 150.0 44.9 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.525 1.93 . . . . 0.0 109.795 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -118.5 102.14 8.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.587 1.555 . . . . 0.0 109.557 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 p -74.33 160.43 31.07 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.0 t -138.57 134.75 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.575 1.55 . . . . 0.0 108.596 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 t -153.49 125.55 7.9 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -157.97 -179.47 8.17 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 0.0 112.974 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -126.13 154.81 42.62 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.073 1.749 . . . . 0.0 112.725 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -143.87 170.45 15.87 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.188 2.595 . . . . 0.0 111.046 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 m -78.8 161.48 26.78 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.766 1.226 . . . . 0.0 111.939 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -54.5 -53.15 58.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.092 0.957 . . . . 0.0 112.305 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -68.35 -38.27 81.29 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.915 1.286 . . . . 0.0 111.934 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -61.82 -49.75 75.04 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.681 0.793 . . . . 0.0 111.469 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.45 -37.9 87.69 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.029 -0.419 . . . . 0.0 112.097 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.6 -35.11 79.41 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.06 -48.46 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.453 1.024 . . . . 0.0 110.491 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.24 -41.73 93.76 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.795 0.725 . . . . 0.0 112.109 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -57.98 -47.39 83.12 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.463 1.505 . . . . 0.0 112.567 174.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -63.78 -50.61 68.31 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.127 0.876 . . . . 0.0 111.489 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.14 -35.45 77.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.373 0.669 . . . . 0.0 112.11 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -59.86 3.7 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 111.479 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.42 -27.64 49.14 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.38 -21.34 49.9 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 171.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -142.58 -42.4 0.32 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -148.01 91.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 128.28 2.632 . . . . 0.0 109.622 -171.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.55 47.72 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.977 2.511 . . . . 0.0 116.906 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -142.2 91.84 2.38 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.989 2.516 . . . . 0.0 109.369 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 -40.31 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.123 0.969 . . . . 0.0 112.506 -168.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -61.57 -46.39 90.09 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.426 -0.796 . . . . 0.0 113.057 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -65.3 -44.04 89.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.388 0.675 . . . . 0.0 111.392 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.81 -47.16 80.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.347 1.059 . . . . 0.0 112.461 173.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.23 -44.86 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.999 0.818 . . . . 0.0 111.244 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.33 -45.64 84.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.654 1.115 . . . . 0.0 111.676 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -59.79 -46.9 87.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.173 1.389 . . . . 0.0 112.511 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -55.83 -49.69 72.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.672 1.589 . . . . 0.0 111.918 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.26 -50.48 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.9 0.88 . . . . 0.0 110.437 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.0 tp -54.97 -55.89 25.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.114 0.565 . . . . 0.0 111.445 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.99 -38.64 91.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.133 0.973 . . . . 0.0 113.312 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.5 p -72.04 -27.85 62.97 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.39 -48.78 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.032 0.833 . . . . 0.0 111.189 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.6 tt -158.83 156.08 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 124.801 1.24 . . . . 0.0 111.67 -175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -144.42 142.19 30.15 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.812 1.245 . . . . 0.0 110.414 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 48.24 43.07 18.62 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.998 2.119 . . . . 0.0 113.463 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -61.52 163.6 6.73 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.566 1.546 . . . . 0.0 113.578 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.32 -1.62 21.84 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.811 1.196 . . . . 0.0 115.054 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.7 p -68.41 -41.67 80.08 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.788 1.294 . . . . 0.0 112.947 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -161.26 165.19 29.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.504 1.922 . . . . 0.0 111.125 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -150.77 167.1 28.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.267 1.427 . . . . 0.0 112.05 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -149.48 176.3 10.73 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.278 1.431 . . . . 0.0 111.232 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.9 p -143.19 6.78 1.54 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.231 1.813 . . . . 0.0 114.046 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 t -143.6 177.26 8.61 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.718 1.607 . . . . 0.0 112.301 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.7 pt -140.09 164.4 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.697 1.999 . . . . 0.0 111.892 -174.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.226 1.411 . . . . 0.0 113.706 175.09 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -64.34 168.91 5.12 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.987 1.315 . . . . 0.0 112.206 169.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -127.27 151.38 48.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.816 1.647 . . . . 0.0 110.376 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -129.44 137.53 50.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.338 1.855 . . . . 0.0 110.227 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -116.26 156.72 26.1 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -165.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.51 129.09 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.977 1.311 . . . . 0.0 109.111 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -141.58 136.07 30.7 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.737 1.215 . . . . 0.0 111.66 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.31 -172.64 3.05 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.315 1.446 . . . . 0.0 111.531 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -127.08 149.47 49.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.937 1.295 . . . . 0.0 112.936 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 79.8 mt -124.75 162.84 23.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.025 2.13 . . . . 0.0 110.359 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -78.71 159.8 27.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.456 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -52.8 -49.24 66.01 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.065 0.946 . . . . 0.0 112.61 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -71.98 -44.91 62.76 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.308 0.643 . . . . 0.0 112.464 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.73 -37.08 79.18 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.38 -0.825 . . . . 0.0 111.984 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.51 -43.9 88.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.845 -0.534 . . . . 0.0 111.615 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.48 -40.87 96.11 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.421 1.01 . . . . 0.0 113.399 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -60.41 -49.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.471 -0.768 . . . . 0.0 110.76 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.97 -31.87 73.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.005 0.82 . . . . 0.0 113.011 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -63.0 -43.69 98.09 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.605 1.093 . . . . 0.0 111.792 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.45 -48.44 77.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.559 1.072 . . . . 0.0 111.942 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.82 -36.45 79.08 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.998 0.919 . . . . 0.0 112.387 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.13 -54.05 24.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.833 0.853 . . . . 0.0 111.761 170.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.18 -27.56 46.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.673 1.589 . . . . 0.0 114.24 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -55.91 -25.83 44.71 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 170.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -142.47 -45.72 0.32 Allowed 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.94 87.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.843 2.457 . . . . 0.0 109.572 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.95 -15.59 9.38 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -66.51 91.66 0.18 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.278 1.431 . . . . 0.0 111.717 173.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 t -57.82 -42.95 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.632 1.173 . . . . 0.0 113.11 -168.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -66.37 -35.27 79.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.225 -0.922 . . . . 0.0 112.795 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -67.78 -41.6 82.98 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.698 0.681 . . . . 0.0 111.773 171.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.29 -44.2 88.39 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.169 -0.957 . . . . 0.0 112.421 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.45 -46.3 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.509 -0.745 . . . . 0.0 111.817 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -52.74 -49.66 65.01 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.125 0.875 . . . . 0.0 111.59 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -61.01 -43.13 99.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.478 1.511 . . . . 0.0 112.34 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -56.14 -48.18 76.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.491 1.116 . . . . 0.0 112.432 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.76 -50.18 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.116 0.567 . . . . 0.0 110.497 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.89 -55.23 28.72 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.389 0.676 . . . . 0.0 111.292 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.23 -36.43 70.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.236 1.015 . . . . 0.0 113.056 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -71.79 -44.15 64.48 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.457 0.703 . . . . 0.0 112.139 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 23.5 mm -78.18 -36.9 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.408 1.083 . . . . 0.0 112.768 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -152.39 143.11 15.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.728 1.211 . . . . 0.0 112.158 -171.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -134.25 4.53 3.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -144.33 41.19 1.36 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.672 1.589 . . . . 0.0 112.048 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -55.1 136.76 47.86 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.995 1.318 . . . . 0.0 111.14 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.04 -38.68 95.69 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.148 0.819 . . . . 0.0 115.148 -169.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.62 154.68 40.05 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.527 1.131 . . . . 0.0 111.098 -176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -142.6 45.35 1.61 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.517 1.527 . . . . 0.0 112.76 -168.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -58.43 161.25 4.59 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.092 1.357 . . . . 0.0 113.985 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -139.35 160.19 40.4 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.164 1.786 . . . . 0.0 111.125 172.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 80.2 p -138.77 10.4 2.65 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -172.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 11.7 t -63.05 149.25 45.54 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.219 1.008 . . . . 0.0 112.465 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 1.5 pp -141.93 163.3 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.264 1.825 . . . . 0.0 112.284 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.971 1.308 . . . . 0.0 112.469 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 119.907 -0.092 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -142.21 36.8 1.54 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.467 1.507 . . . . 0.0 112.976 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -66.74 125.74 26.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.422 2.289 . . . . 0.0 111.232 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -126.75 108.43 11.05 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.532 1.933 . . . . 0.0 109.919 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 p -76.88 159.05 30.34 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -171.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.3 t -137.44 134.28 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 108.472 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -153.97 124.99 7.3 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 0.0 111.23 -172.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -157.69 179.0 9.64 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.291 1.036 . . . . 0.0 113.09 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.07 150.76 46.47 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.707 1.603 . . . . 0.0 112.783 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.06 178.95 6.79 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.13 2.572 . . . . 0.0 110.543 -174.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.1 t -88.25 156.63 19.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.926 1.29 . . . . 0.0 111.48 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -54.52 -44.5 72.81 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.594 1.158 . . . . 0.0 112.758 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.6 -42.18 95.73 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.177 0.591 . . . . 0.0 112.161 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.78 -49.32 73.41 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.826 0.85 . . . . 0.0 111.429 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -62.65 -40.19 96.25 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.614 -0.679 . . . . 0.0 111.829 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.04 -48.03 82.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.012 0.925 . . . . 0.0 113.063 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.78 -37.97 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.812 1.187 . . . . 0.0 112.28 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.03 -45.92 89.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.089 0.859 . . . . 0.0 111.262 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -62.07 -36.59 82.12 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 118.061 -0.971 . . . . 0.0 112.665 174.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.8 -51.95 62.45 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.438 1.472 . . . . 0.0 111.195 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.73 -32.61 71.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.543 0.737 . . . . 0.0 112.445 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.44 -53.61 27.46 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.443 0.697 . . . . 0.0 111.966 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.01 -25.13 63.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.608 1.963 . . . . 0.0 114.265 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -55.26 -16.44 3.32 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 166.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.91 -54.46 0.54 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.922 1.289 . . . . 0.0 113.764 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -153.25 101.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 128.122 2.569 . . . . 0.0 107.686 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.55 -13.87 16.63 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -170.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -57.77 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.591 1.956 . . . . 0.0 113.126 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.5 t -56.83 -39.2 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.647 1.179 . . . . 0.0 112.636 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -56.86 -51.64 68.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.787 0.835 . . . . 0.0 112.995 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -64.83 -46.73 80.69 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.644 1.178 . . . . 0.0 111.583 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -56.78 -49.5 75.13 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 112.338 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.79 -45.04 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.615 0.766 . . . . 0.0 111.334 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.35 -49.79 66.38 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.711 1.141 . . . . 0.0 112.121 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.71 -41.99 91.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.225 1.41 . . . . 0.0 112.627 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -56.2 -48.43 76.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.351 1.461 . . . . 0.0 112.442 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.425 HD11 HD11 ' B' ' 57' ' ' ILE . 72.4 mt -63.26 -51.39 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.957 0.903 . . . . 0.0 110.469 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.04 -54.6 36.99 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.843 . . . . 0.0 111.249 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -58.22 -44.78 88.34 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.134 0.973 . . . . 0.0 112.494 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.4 m -64.45 -39.02 93.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.111 0.565 . . . . 0.0 111.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.3 mt -69.1 -44.61 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.576 0.75 . . . . 0.0 111.316 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 tt -151.29 127.11 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 122.458 1.123 . . . . 0.0 112.622 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -89.29 53.91 2.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.454 1.502 . . . . 0.0 111.74 -176.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -134.73 100.45 4.62 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.569 1.947 . . . . 0.0 109.844 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.57 122.17 24.37 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.465 1.906 . . . . 0.0 109.946 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.38 -30.38 0.42 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.657 1.123 . . . . 0.0 114.152 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 m -62.99 -26.14 68.71 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.32 1.448 . . . . 0.0 113.283 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -138.23 167.97 20.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.359 1.863 . . . . 0.0 111.084 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.15 36.83 1.92 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.898 1.279 . . . . 0.0 112.897 -172.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -54.94 108.98 0.46 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.274 1.429 . . . . 0.0 113.191 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 98.1 p -145.31 8.34 1.19 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.226 1.41 . . . . 0.0 114.103 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.3 m -62.58 153.43 32.06 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.268 1.427 . . . . 0.0 113.428 -176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.3 tp -56.71 127.98 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.347 1.059 . . . . 0.0 111.909 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 126.315 1.846 . . . . 0.0 110.989 -177.362 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.264 19.5 ptpt . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -76.1 -20.09 57.98 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -128.64 147.16 50.72 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.807 1.643 . . . . 0.0 112.006 -172.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -141.32 148.84 40.39 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.517 2.327 . . . . 0.0 109.728 -169.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.67 157.07 30.4 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -166.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -138.36 133.37 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.956 1.303 . . . . 0.0 109.641 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p -141.89 141.73 33.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.054 1.341 . . . . 0.0 111.519 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -165.71 -172.85 2.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.751 1.62 . . . . 0.0 111.171 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -125.82 154.87 41.99 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.273 1.429 . . . . 0.0 112.224 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -132.9 175.12 9.63 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.132 2.173 . . . . 0.0 109.24 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 82.9 p -78.95 157.69 28.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 122.864 0.466 . . . . 0.0 111.506 171.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.5 -40.45 62.41 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.553 0.741 . . . . 0.0 112.403 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.86 -49.76 66.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.089 0.556 . . . . 0.0 111.677 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.37 -49.27 78.24 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 110.992 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.77 -38.2 90.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.165 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.87 -44.33 93.38 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.375 0.989 . . . . 0.0 112.87 173.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.77 -49.43 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.712 -0.617 . . . . 0.0 111.256 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -33.23 75.52 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.73 -0.606 . . . . 0.0 112.619 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -63.17 -47.09 84.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.509 1.049 . . . . 0.0 111.744 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -60.37 -47.08 87.59 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.506 1.048 . . . . 0.0 111.531 174.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.24 -36.63 82.59 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 112.747 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.51 62.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.173 0.989 . . . . 0.0 112.355 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.1 -26.43 66.21 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.664 1.186 . . . . 0.0 113.21 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.04 -29.14 67.06 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.16 -10.39 0.14 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 118.227 2.677 . . . . 0.0 118.227 -166.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.39 -29.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 126.245 1.818 . . . . 0.0 112.846 -175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 65.9 9.32 6.01 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.285 1.834 . . . . 0.0 115.857 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.5 m -143.49 111.37 6.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.893 1.677 . . . . 0.0 110.489 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.17 -42.85 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 0.0 112.37 -169.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -69.23 -40.3 78.01 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 88.8 p -72.37 -33.71 67.43 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.135 0.879 . . . . 0.0 112.244 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -58.08 -46.75 84.95 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.91 0.777 . . . . 0.0 111.986 167.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.316 -0.865 . . . . 0.0 111.881 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -55.12 -46.48 75.61 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.094 -1.004 . . . . 0.0 112.139 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -60.9 -45.75 93.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.882 1.273 . . . . 0.0 112.118 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.07 -47.61 71.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.983 1.313 . . . . 0.0 112.413 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 57' ' ' ILE . 29.7 mt -66.75 -49.72 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.205 0.602 . . . . 0.0 110.578 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.8 -47.27 83.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.075 0.95 . . . . 0.0 111.716 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.17 -40.48 85.74 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.315 1.046 . . . . 0.0 112.454 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 39.2 m -73.25 -15.13 61.43 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 34.0 mm -119.69 -29.22 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 O-C-N 120.993 -1.067 . . . . 0.0 112.673 -173.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 22.1 mm -130.09 65.79 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 127.339 2.255 . . . . 0.0 108.709 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -58.47 -31.4 67.77 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.459 1.504 . . . . 0.0 114.385 -178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -159.12 119.16 3.11 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.839 1.655 . . . . 0.0 110.453 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -134.58 14.36 3.72 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.78 1.632 . . . . 0.0 113.849 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.49 -160.9 6.03 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.912 1.244 . . . . 0.0 113.831 -171.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.2 p -69.98 154.84 41.43 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.793 -0.828 . . . . 0.0 111.717 167.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.6 15.52 2.16 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.228 1.411 . . . . 0.0 111.874 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.75 169.47 24.65 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.676 1.99 . . . . 0.0 111.687 -173.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -149.57 145.62 26.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.06 1.344 . . . . 0.0 111.501 172.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 80.7 p -145.29 10.87 1.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.077 1.751 . . . . 0.0 113.483 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -63.0 152.05 37.97 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.297 1.039 . . . . 0.0 113.313 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 19.1 tt -62.78 149.09 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 125.118 1.367 . . . . 0.0 112.591 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.976 1.711 . . . . 0.0 111.444 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 111.036 0.013 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -140.03 157.94 44.85 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.208 1.803 . . . . 0.0 111.377 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -136.35 150.19 48.73 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.705 1.602 . . . . 0.0 110.908 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -137.89 144.57 41.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.556 1.942 . . . . 0.0 109.872 -168.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.68 159.52 23.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.867 0.842 . . . . 0.0 112.922 -165.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.85 131.91 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.382 1.473 . . . . 0.0 108.18 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -153.2 121.89 6.39 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.275 1.03 . . . . 0.0 111.764 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -158.24 -172.39 3.87 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.63 1.572 . . . . 0.0 112.18 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.74 152.17 48.08 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.609 1.564 . . . . 0.0 112.735 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -133.95 178.05 7.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.086 2.154 . . . . 0.0 109.497 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.9 m -83.66 151.91 25.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.573 0.749 . . . . 0.0 111.11 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -46.76 -46.98 20.83 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.463 1.505 . . . . 0.0 113.751 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.52 -42.18 78.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.045 0.938 . . . . 0.0 112.26 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.15 -47.68 83.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.242 0.617 . . . . 0.0 111.02 172.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -59.94 -42.71 94.59 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.791 -0.568 . . . . 0.0 112.331 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.66 -46.43 89.06 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.282 1.033 . . . . 0.0 112.606 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.43 -50.14 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.606 -0.684 . . . . 0.0 111.538 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.66 -39.44 84.44 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.535 0.734 . . . . 0.0 112.142 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.52 -44.21 94.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.118 1.367 . . . . 0.0 112.381 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -64.68 -45.84 84.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.86 0.755 . . . . 0.0 111.797 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -36.84 82.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.108 0.563 . . . . 0.0 111.865 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.15 69.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.637 0.775 . . . . 0.0 112.069 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.27 -30.17 66.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.457 1.026 . . . . 0.0 113.469 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -64.43 -21.39 66.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -154.08 -11.68 0.14 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 118.239 2.681 . . . . 0.0 118.239 -170.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -136.55 -30.22 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 125.772 1.629 . . . . 0.0 112.991 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 64.79 6.94 3.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.72 2.008 . . . . 0.0 116.081 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -142.38 105.87 4.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.743 1.617 . . . . 0.0 110.33 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -60.76 -40.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.964 0.906 . . . . 0.0 112.665 -169.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -57.34 -53.75 54.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.361 1.064 . . . . 0.0 112.443 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -63.15 -40.45 97.6 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.095 0.958 . . . . 0.0 111.789 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.09 -50.26 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.056 0.943 . . . . 0.0 112.309 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 118.969 0.804 . . . . 0.0 111.059 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -54.47 -50.22 68.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -66.15 -39.62 89.94 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.777 1.231 . . . . 0.0 112.907 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.27 -47.92 77.62 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.754 1.222 . . . . 0.0 112.218 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.39 -48.77 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.444 0.698 . . . . 0.0 110.355 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.95 -56.91 12.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.645 0.778 . . . . 0.0 111.308 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.87 -41.72 87.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.062 1.345 . . . . 0.0 113.075 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.1 m -66.48 -40.34 89.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.062 0.545 . . . . 0.0 111.739 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.39 -40.66 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.068 0.947 . . . . 0.0 112.002 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.8 tt -150.57 129.28 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 122.602 1.192 . . . . 0.0 112.407 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -90.39 58.29 3.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.122 1.369 . . . . 0.0 111.271 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -141.71 101.38 3.96 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.83 1.652 . . . . 0.0 110.876 -174.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -61.78 167.07 3.88 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.063 1.745 . . . . 0.0 112.453 172.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.7 -36.27 0.02 OUTLIER Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.145 0.818 . . . . 0.0 115.145 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 p -138.94 154.2 48.3 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.031 1.332 . . . . 0.0 111.991 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -78.1 168.54 19.71 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.953 0.901 . . . . 0.0 111.685 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.85 143.76 54.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.991 0.917 . . . . 0.0 111.821 172.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -149.08 158.38 44.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.54 1.536 . . . . 0.0 111.075 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.5 t -162.26 109.79 1.34 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.488 1.515 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -71.13 -5.08 28.96 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.92 131.78 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.113 1.365 . . . . 0.0 110.207 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.076 1.351 . . . . 0.0 113.429 178.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 63.4 tttm . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -82.64 -13.42 56.49 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 115.618 1.711 . . . . 0.0 115.618 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -74.69 117.21 16.27 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.001 1.72 . . . . 0.0 111.006 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -123.5 112.88 18.01 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.516 1.926 . . . . 0.0 109.983 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -81.05 156.81 25.66 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 128.39 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.381 1.472 . . . . 0.0 108.839 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 144.75 33.73 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.395 1.078 . . . . 0.0 111.425 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -163.78 178.81 7.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.91 1.284 . . . . 0.0 112.257 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -127.06 152.55 47.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.293 1.437 . . . . 0.0 112.791 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -140.66 178.52 7.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.325 2.65 . . . . 0.0 110.267 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 m -92.87 159.58 15.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 0.0 111.26 172.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.1 -48.2 76.62 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.85 0.86 . . . . 0.0 113.207 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.06 -41.94 94.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.108 0.563 . . . . 0.0 111.962 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.22 -48.3 82.31 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.497 0.719 . . . . 0.0 111.63 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.32 -37.55 85.64 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.97 -42.31 99.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.255 0.934 . . . . 0.0 112.915 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.12 -47.58 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.425 0.69 . . . . 0.0 111.072 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.89 -40.61 89.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.608 0.64 . . . . 0.0 112.241 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.95 -45.09 95.21 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.56 1.144 . . . . 0.0 112.037 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.38 -50.68 68.93 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.107 0.867 . . . . 0.0 111.847 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.28 -38.65 77.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.613 1.165 . . . . 0.0 112.265 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.13 -58.83 3.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.662 1.185 . . . . 0.0 111.726 171.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.29 -21.83 50.44 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.184 1.394 . . . . 0.0 114.598 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.56 -29.38 6.87 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 164.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -142.06 -27.3 0.64 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.3 t -149.25 94.85 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 127.945 2.498 . . . . 0.0 108.226 -168.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.95 -27.75 46.09 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -79.76 107.39 12.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.938 0.895 . . . . 0.0 111.344 172.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.14 -39.87 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.132 0.973 . . . . 0.0 111.704 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -72.74 -34.54 67.12 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.23 -0.919 . . . . 0.0 112.895 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.4 t -68.46 -38.93 81.55 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.987 0.812 . . . . 0.0 111.543 172.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -57.79 -46.14 85.05 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.887 0.875 . . . . 0.0 112.34 169.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.46 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.27 0.941 . . . . 0.0 111.629 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -53.79 -49.72 67.66 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.631 0.772 . . . . 0.0 111.84 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -59.28 -44.94 92.42 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.55 1.14 . . . . 0.0 112.143 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.08 -49.26 74.31 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.108 1.363 . . . . 0.0 112.464 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.85 -47.97 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.356 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 78.4 mt -58.42 -53.03 62.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.048 0.539 . . . . 0.0 111.796 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -60.9 -25.12 66.5 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.4 m -80.69 -18.34 48.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.188 0.995 . . . . 0.0 113.129 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.8 -26.61 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 O-C-N 121.143 -0.973 . . . . 0.0 113.106 -165.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 39.3 mm -125.58 131.37 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.632 1.973 . . . . 0.0 109.504 -171.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -134.09 0.85 3.19 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -171.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -144.5 103.21 3.93 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.136 1.774 . . . . 0.0 110.436 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -143.19 175.35 9.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.872 1.669 . . . . 0.0 112.239 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.4 169.64 53.06 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.198 0.904 . . . . 0.0 114.003 173.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 20.3 p -68.05 -23.93 65.02 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -59.64 150.96 25.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.507 1.523 . . . . 0.0 114.214 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.75 174.57 14.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.063 2.145 . . . . 0.0 111.381 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -145.99 151.11 37.25 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.625 1.17 . . . . 0.0 111.977 174.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 81.1 p -147.49 9.44 0.93 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.539 1.936 . . . . 0.0 113.598 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.1 t -58.91 142.13 51.63 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.509 1.124 . . . . 0.0 113.09 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 9.5 tp -154.49 153.96 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.853 1.661 . . . . 0.0 110.822 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 125.836 1.655 . . . . 0.0 111.832 177.824 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mptt . . . . . 0 N--CA 1.5 2.071 0 CA-C-O 120.244 0.069 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 149.23 48.74 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.33 1.052 . . . . 0.0 111.64 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -146.44 156.29 43.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.416 1.886 . . . . 0.0 110.367 173.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' B' ' 35' ' ' HIS . 20.7 m-85 -126.79 124.53 39.9 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.561 1.545 . . . . 0.0 109.454 -172.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 p -94.68 161.14 14.31 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.51 135.97 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.334 1.453 . . . . 0.0 108.842 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.83 123.0 5.92 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.384 1.074 . . . . 0.0 111.215 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -154.21 166.71 32.28 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.267 1.027 . . . . 0.0 112.872 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -100.24 154.77 18.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.494 1.118 . . . . 0.0 112.405 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.52 163.43 29.42 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.837 2.455 . . . . 0.0 110.22 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -70.51 153.25 43.12 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.322 1.049 . . . . 0.0 110.586 163.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.68 -38.95 57.22 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.653 0.781 . . . . 0.0 112.41 169.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.33 -52.8 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.075 0.55 . . . . 0.0 112.428 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.77 -35.05 76.58 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.433 -0.792 . . . . 0.0 112.028 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.38 -45.62 92.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.73 172.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.93 -44.87 94.08 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.044 0.838 . . . . 0.0 112.337 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.18 -52.19 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.053 0.842 . . . . 0.0 111.075 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.84 -39.64 85.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -61.86 -47.17 86.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.444 1.098 . . . . 0.0 112.421 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.97 -41.75 86.32 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.834 1.197 . . . . 0.0 111.799 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -37.81 84.82 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -49.24 64.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.781 0.832 . . . . 0.0 112.53 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.98 -27.68 67.05 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.277 1.031 . . . . 0.0 113.145 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.16 -27.2 68.79 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.71 -9.61 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 118.155 2.65 . . . . 0.0 118.155 -169.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.46 -33.07 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 125.525 1.53 . . . . 0.0 112.965 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 63.17 10.91 4.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 126.36 1.864 . . . . 0.0 115.969 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 99.57 3.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.165 1.786 . . . . 0.0 109.977 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.95 -40.03 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.2 1.0 . . . . 0.0 112.814 -168.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -60.73 -47.32 86.8 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.046 0.839 . . . . 0.0 112.594 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -66.18 -41.98 89.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.588 1.155 . . . . 0.0 111.79 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.1 -46.46 85.49 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.579 0.752 . . . . 0.0 112.385 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.47 -43.58 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 119.171 0.896 . . . . 0.0 111.477 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.7 -50.54 68.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.425 1.011 . . . . 0.0 111.363 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -61.05 -44.08 97.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.762 1.625 . . . . 0.0 112.779 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.59 -48.12 80.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.577 1.551 . . . . 0.0 112.011 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.31 -46.33 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.383 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.52 -54.65 41.34 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.037 0.835 . . . . 0.0 111.487 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -57.91 -39.72 78.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.313 1.445 . . . . 0.0 113.21 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -82.2 -26.22 33.53 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 mm -79.0 -38.76 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.304 1.042 . . . . 0.0 112.091 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.9 tt -148.83 144.06 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 124.009 0.924 . . . . 0.0 112.474 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -121.45 29.6 7.15 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.642 1.577 . . . . 0.0 112.437 -167.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -68.55 26.44 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 127.663 2.385 . . . . 0.0 116.438 -174.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -59.7 156.63 13.44 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.046 1.738 . . . . 0.0 112.56 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.94 -32.46 0.19 Allowed Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.054 0.835 . . . . 0.0 114.77 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -141.2 148.04 39.33 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.308 1.443 . . . . 0.0 110.25 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -62.82 129.97 42.82 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.104 0.962 . . . . 0.0 112.032 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -155.61 153.03 29.46 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.528 1.531 . . . . 0.0 109.983 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.97 140.36 55.72 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.794 0.837 . . . . 0.0 112.84 171.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.6 t -159.16 65.8 0.4 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.0 1.32 . . . . 0.0 110.346 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.6 p -159.68 168.83 25.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.165 1.786 . . . . 0.0 111.805 -172.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.6 pt -136.45 169.52 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.684 1.594 . . . . 0.0 111.793 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.816 1.646 . . . . 0.0 113.775 179.15 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 tptt . . . . . 0 N--CA 1.499 1.992 0 CA-C-O 119.547 -0.263 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 150.17 37.5 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.792 0.837 . . . . 0.0 111.49 172.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -127.77 140.8 51.83 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.449 1.499 . . . . 0.0 110.698 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -136.0 122.1 20.23 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.73 2.012 . . . . 0.0 109.584 -172.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.57 153.61 17.63 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.47 -0.769 . . . . 0.0 112.294 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -133.85 129.63 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.815 2.046 . . . . 0.0 108.645 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 64.6 p -140.15 141.03 36.09 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.524 1.13 . . . . 0.0 111.491 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -163.46 -178.78 6.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.979 1.312 . . . . 0.0 112.027 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -127.2 154.15 45.19 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.363 1.465 . . . . 0.0 112.213 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -134.74 167.36 20.99 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.4 2.28 . . . . 0.0 110.969 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.0 t -79.26 158.99 27.46 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.331 1.452 . . . . 0.0 111.373 168.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -44.78 79.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.496 1.119 . . . . 0.0 111.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.11 -46.72 61.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.715 0.806 . . . . 0.0 112.573 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.2 -36.63 77.47 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.254 -0.903 . . . . 0.0 111.803 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' HIS . . . . . 0.401 ' CD2' ' HB3' ' A' ' 24' ' ' PHE . 59.6 t-80 -65.7 -41.71 92.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.687 0.676 . . . . 0.0 112.086 171.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.57 -44.08 85.03 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.53 1.059 . . . . 0.0 112.816 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.76 -50.7 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.386 0.674 . . . . 0.0 111.133 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.12 -42.58 90.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.777 0.717 . . . . 0.0 112.081 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.44 -37.19 86.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.414 1.086 . . . . 0.0 112.812 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.1 -51.36 61.76 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.609 1.095 . . . . 0.0 111.499 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.67 -31.51 72.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.207 0.603 . . . . 0.0 112.348 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -59.13 4.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.035 0.934 . . . . 0.0 111.467 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.21 -25.34 32.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.25 1.42 . . . . 0.0 114.456 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -54.08 -25.67 23.02 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 169.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -154.26 -30.74 0.11 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.19 83.91 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 127.675 2.39 . . . . 0.0 108.385 -176.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.46 -18.53 29.41 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -68.02 91.25 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.704 1.202 . . . . 0.0 111.039 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.0 -42.41 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.774 1.229 . . . . 0.0 112.43 -172.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -65.99 -39.42 90.32 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.44 -0.788 . . . . 0.0 113.058 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -67.12 -41.1 86.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.928 0.785 . . . . 0.0 111.746 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.5 -45.44 84.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.36 -44.24 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.172 0.896 . . . . 0.0 111.594 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.19 -49.56 66.46 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.311 0.96 . . . . 0.0 111.071 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -60.91 -46.1 92.01 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.757 1.623 . . . . 0.0 112.735 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.6 -47.9 75.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.116 1.366 . . . . 0.0 112.471 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -65.18 -51.13 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 123.179 0.591 . . . . 0.0 110.012 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.23 -57.85 9.07 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.017 0.927 . . . . 0.0 111.582 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -65.08 -28.08 69.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.02 0.928 . . . . 0.0 113.467 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.2 m -77.65 -39.79 43.9 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.947 0.499 . . . . 0.0 111.854 174.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 mm -72.59 -40.1 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.245 1.018 . . . . 0.0 112.156 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 tt -156.4 153.18 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.815 1.246 . . . . 0.0 111.884 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -129.42 -16.17 3.95 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -135.98 49.57 2.12 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.052 1.741 . . . . 0.0 111.338 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -55.0 158.14 2.94 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.779 1.631 . . . . 0.0 114.138 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.08 -8.83 56.48 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.648 1.118 . . . . 0.0 114.874 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -60.38 142.45 54.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.067 1.347 . . . . 0.0 112.043 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.18 173.47 9.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.566 1.146 . . . . 0.0 112.979 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -141.75 -173.76 3.88 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.484 1.514 . . . . 0.0 112.39 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -125.14 174.12 8.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.013 1.725 . . . . 0.0 111.006 172.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 71.3 p -76.56 2.61 13.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.4 1.48 . . . . 0.0 114.993 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -58.82 158.82 7.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.596 1.958 . . . . 0.0 114.077 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.16 136.95 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.683 1.593 . . . . 0.0 109.358 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.315 1.446 . . . . 0.0 113.402 177.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 tptm . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 119.615 -0.231 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -106.53 2.06 25.87 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 116.951 2.204 . . . . 0.0 116.951 -164.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -74.78 128.79 36.41 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.036 0.934 . . . . 0.0 110.722 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -134.06 111.41 10.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.553 1.941 . . . . 0.0 109.718 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.9 p -81.69 156.23 25.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -166.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.82 128.73 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.58 1.552 . . . . 0.0 108.726 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 p -142.79 141.06 31.6 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.166 0.986 . . . . 0.0 110.475 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -164.68 -176.02 4.09 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.041 1.336 . . . . 0.0 111.851 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -121.3 158.69 27.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.708 1.603 . . . . 0.0 112.051 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.78 172.31 13.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.225 2.21 . . . . 0.0 110.329 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.57 166.34 22.66 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 172.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -61.1 -52.33 65.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.643 0.777 . . . . 0.0 111.906 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.18 -35.89 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.763 0.825 . . . . 0.0 111.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.64 -49.97 75.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.195 0.998 . . . . 0.0 112.032 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -67.88 -36.41 80.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 119.091 -0.48 . . . . 0.0 111.995 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.84 -41.36 97.72 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.37 0.986 . . . . 0.0 113.392 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.87 -47.57 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.357 -0.839 . . . . 0.0 110.803 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.95 -35.6 75.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.021 0.828 . . . . 0.0 112.265 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -65.21 -37.78 88.37 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.954 1.252 . . . . 0.0 112.71 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.43 -50.91 67.95 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.593 1.542 . . . . 0.0 111.721 171.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.88 -37.17 73.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.33 1.052 . . . . 0.0 112.285 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.01 19.94 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.999 1.32 . . . . 0.0 112.074 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.93 -21.1 42.17 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.163 1.785 . . . . 0.0 114.141 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -48.28 -26.53 2.03 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 163.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.99 -37.77 0.1 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -151.51 92.47 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 127.53 2.332 . . . . 0.0 108.241 -174.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.56 -17.67 55.99 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 -165.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -70.18 101.36 1.85 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.837 1.255 . . . . 0.0 111.953 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.8 t -54.06 -39.53 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.55 1.14 . . . . 0.0 113.146 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -40.73 94.05 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.283 0.947 . . . . 0.0 113.233 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -66.98 -41.46 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.617 -0.677 . . . . 0.0 111.371 172.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.67 -46.01 88.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.417 0.687 . . . . 0.0 112.308 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.73 -44.25 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 111.371 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.85 -48.53 77.87 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.39 0.995 . . . . 0.0 112.098 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -62.58 -46.57 87.72 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.783 1.233 . . . . 0.0 111.843 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -52.25 -48.11 65.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.887 1.675 . . . . 0.0 112.139 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.81 -50.29 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.214 1.006 . . . . 0.0 110.935 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.31 -12.06 12.24 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -117.38 1.4 12.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.777 1.631 . . . . 0.0 114.299 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.71 -34.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -24.34 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 121.287 -0.883 . . . . 0.0 111.021 169.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.1 tp -146.16 158.51 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 127.712 2.405 . . . . 0.0 108.585 175.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -146.66 60.67 1.21 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.617 1.167 . . . . 0.0 110.523 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -132.66 47.72 2.48 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.569 1.548 . . . . 0.0 112.09 -166.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 164.97 1.66 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.781 1.632 . . . . 0.0 113.44 175.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.07 -14.57 0.27 Allowed Glycine 0 CA--C 1.536 1.401 0 N-CA-C 116.138 1.215 . . . . 0.0 116.138 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 t -148.1 176.22 10.38 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 118.826 1.313 . . . . 0.0 112.403 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -144.11 155.92 44.14 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.386 1.875 . . . . 0.0 110.854 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -71.73 162.82 28.87 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.419 1.088 . . . . 0.0 112.026 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.66 -5.5 40.88 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.337 1.055 . . . . 0.0 113.605 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 t -156.72 105.77 2.24 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.552 1.941 . . . . 0.0 109.531 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.8 m -130.58 160.57 33.79 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.448 1.899 . . . . 0.0 111.055 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.5 pt -135.6 159.72 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.741 1.216 . . . . 0.0 112.741 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 126.906 2.082 . . . . 0.0 111.652 174.383 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt . . . . . 0 N--CA 1.499 1.98 0 N-CA-C 111.233 0.086 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -128.44 146.54 50.77 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.558 1.543 . . . . 0.0 110.853 171.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -147.2 161.4 40.99 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.233 1.813 . . . . 0.0 110.957 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -113.16 120.42 41.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.3 1.84 . . . . 0.0 109.516 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.1 p -90.76 158.83 16.64 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.67 123.52 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.628 1.571 . . . . 0.0 108.462 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -143.99 116.23 8.47 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.317 1.047 . . . . 0.0 112.308 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.48 -169.46 3.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.655 1.182 . . . . 0.0 112.763 -173.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -132.37 153.37 50.84 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.558 1.543 . . . . 0.0 112.893 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.0 mt -133.89 178.46 6.93 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.343 2.257 . . . . 0.0 109.822 170.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -86.59 153.33 21.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 112.144 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -49.86 -53.62 24.6 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.283 1.433 . . . . 0.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.11 -40.37 78.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.785 0.434 . . . . 0.0 112.091 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.53 -49.87 75.82 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.27 1.028 . . . . 0.0 111.555 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.1 -43.51 98.68 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.592 0.757 . . . . 0.0 112.211 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.18 -49.79 74.88 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.798 0.839 . . . . 0.0 112.443 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.49 -46.02 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.273 0.629 . . . . 0.0 111.468 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.78 -36.76 85.35 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.949 0.795 . . . . 0.0 112.637 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -66.21 -38.99 89.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.897 1.279 . . . . 0.0 112.367 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -64.61 -43.41 93.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.203 1.001 . . . . 0.0 111.902 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.41 95.4 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.624 0.77 . . . . 0.0 111.811 173.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.96 76.11 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.473 0.709 . . . . 0.0 112.024 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.22 -32.63 66.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.454 1.102 . . . . 0.0 113.367 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -150.74 -7.89 0.27 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -169.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 83.8 t -137.05 -25.94 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.39 1.476 . . . . 0.0 113.359 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 68.36 -2.33 1.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.461 2.304 . . . . 0.0 116.559 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 57.9 m -141.19 123.23 15.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.345 1.458 . . . . 0.0 111.492 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.66 -41.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.624 0.77 . . . . 0.0 112.152 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -59.94 -49.78 76.33 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.564 0.62 . . . . 0.0 112.169 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.4 p -73.28 -33.32 65.17 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.517 0.727 . . . . 0.0 112.17 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.14 -50.59 73.46 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.164 0.893 . . . . 0.0 112.625 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.68 -40.93 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.789 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -52.71 -49.5 65.26 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.243 1.383 . . . . 0.0 112.403 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -60.23 -46.17 90.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.088 1.755 . . . . 0.0 112.592 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.81 -51.85 67.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.879 0.871 . . . . 0.0 112.389 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.86 -41.18 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.606 1.163 . . . . 0.0 111.317 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.96 -61.7 2.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.417 0.687 . . . . 0.0 110.803 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.57 -46.77 86.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.983 0.913 . . . . 0.0 113.079 -171.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -70.02 -31.4 69.03 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mm -75.54 -43.86 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.757 0.823 . . . . 0.0 111.145 173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 18.5 tt -153.61 128.57 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 122.617 1.199 . . . . 0.0 112.551 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -82.77 56.57 3.44 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.355 1.462 . . . . 0.0 112.162 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -131.23 58.03 1.73 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.18 1.792 . . . . 0.0 111.537 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -59.52 165.69 2.77 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.435 1.494 . . . . 0.0 113.225 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.76 3.43 30.31 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.632 1.111 . . . . 0.0 115.323 172.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 23.5 p -64.2 155.75 30.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.955 1.302 . . . . 0.0 112.92 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -66.34 156.44 34.46 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.592 0.757 . . . . 0.0 112.55 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -70.47 144.37 51.44 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -160.54 164.11 32.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.497 2.319 . . . . 0.0 110.081 166.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.9 24.75 3.51 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.961 1.304 . . . . 0.0 113.906 -169.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.0 p -80.16 1.25 28.89 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.775 1.63 . . . . 0.0 114.917 -175.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 18.0 tt -147.91 158.49 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 126.24 1.816 . . . . 0.0 110.962 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.319 1.848 . . . . 0.0 111.46 179.784 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 119.874 -0.108 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -137.54 166.48 23.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.071 1.748 . . . . 0.0 111.785 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -133.0 145.9 51.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.144 1.778 . . . . 0.0 109.357 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.95 106.19 7.9 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.232 1.413 . . . . 0.0 110.206 -166.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 t -87.31 159.81 18.63 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -170.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.67 130.04 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 127.686 2.394 . . . . 0.0 108.506 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -144.41 118.77 9.61 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.478 1.111 . . . . 0.0 112.221 -169.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -152.94 -178.76 7.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.749 -1.219 . . . . 0.0 113.994 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -123.26 153.94 39.48 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.209 1.804 . . . . 0.0 112.877 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -141.45 171.83 13.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 128.859 2.864 . . . . 0.0 110.499 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -81.51 161.38 23.64 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.044 0.938 . . . . 0.0 111.886 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.99 -51.56 68.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.656 1.182 . . . . 0.0 113.099 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.09 -39.54 86.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.05 0.54 . . . . 0.0 111.651 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.55 -49.85 75.93 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.173 1.389 . . . . 0.0 112.057 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -63.85 -40.63 97.03 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.98 -39.09 88.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.701 0.8 . . . . 0.0 112.824 173.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.49 -46.63 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.486 -0.759 . . . . 0.0 111.27 170.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.41 -41.42 97.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.693 1.133 . . . . 0.0 112.638 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -56.8 -48.59 77.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.873 1.269 . . . . 0.0 111.756 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -62.29 -50.65 70.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.035 0.934 . . . . 0.0 111.936 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.46 -40.13 85.87 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.535 0.734 . . . . 0.0 112.291 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.31 70.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.053 0.541 . . . . 0.0 112.325 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.96 -35.66 73.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.135 0.974 . . . . 0.0 113.251 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.45 -13.65 62.22 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -136.83 -41.4 0.6 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -167.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -143.54 -0.42 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 125.378 1.471 . . . . 0.0 114.749 -166.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 72.1 -22.83 0.2 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.826 2.45 . . . . 0.0 116.286 174.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -137.79 138.23 39.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.294 1.406 . . . . 0.0 114.417 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.02 -35.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.841 0.856 . . . . 0.0 111.887 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -60.15 -44.51 94.91 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.238 0.926 . . . . 0.0 111.719 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.4 m -76.52 -35.16 58.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -55.0 -51.87 64.89 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.66 0.664 . . . . 0.0 111.985 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.1 -43.05 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.352 -0.833 . . . . 0.0 111.741 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -42.1 93.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.293 1.406 . . . . 0.0 112.043 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -68.1 -36.81 80.38 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.13 -48.59 75.92 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.439 1.018 . . . . 0.0 111.901 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.66 -47.49 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 110.9 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.34 -54.1 44.9 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.171 0.989 . . . . 0.0 111.008 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -56.18 -59.34 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.176 0.99 . . . . 0.0 111.681 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 t -71.34 -15.37 62.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -113.83 -27.33 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.559 1.144 . . . . 0.0 112.368 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.71 60.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 123.153 1.454 . . . . 0.0 111.337 -168.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -54.92 -15.29 1.88 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.372 1.469 . . . . 0.0 114.774 169.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.38 8.0 0.69 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.065 1.746 . . . . 0.0 114.919 167.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.7 tttp 55.44 63.8 1.97 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.825 2.45 . . . . 0.0 112.971 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.58 172.57 9.81 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.353 0.977 . . . . 0.0 114.314 173.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.3 p -66.52 162.52 20.58 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.849 1.259 . . . . 0.0 113.036 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -145.95 169.07 19.36 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.743 1.217 . . . . 0.0 112.196 -171.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -126.66 55.43 1.53 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.474 1.909 . . . . 0.0 111.034 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -143.95 24.47 1.66 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.635 1.574 . . . . 0.0 111.989 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -146.68 36.58 0.97 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.141 1.376 . . . . 0.0 111.979 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.8 p -125.2 4.64 7.83 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.71 1.604 . . . . 0.0 114.415 -168.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.6 mm -133.43 138.5 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 126.548 1.939 . . . . 0.0 109.126 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.7 m120 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.481 1.513 . . . . 0.0 113.586 -179.651 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.7 tptm . . . . . 0 N--CA 1.498 1.954 0 CA-C-O 119.39 -0.338 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -126.12 0.33 7.16 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -141.19 137.04 32.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.659 1.584 . . . . 0.0 111.183 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -138.14 140.32 39.82 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.668 1.987 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -119.23 154.71 32.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -161.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -138.21 130.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.169 1.388 . . . . 0.0 109.294 -175.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p -143.36 132.86 23.53 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.747 1.219 . . . . 0.0 111.019 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -162.68 154.62 18.42 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.904 0.882 . . . . 0.0 113.207 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.65 152.06 30.19 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 168.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -130.52 176.0 8.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.181 2.592 . . . . 0.0 109.792 165.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 67.7 m -85.37 158.77 20.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.032 0.933 . . . . 0.0 112.311 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.59 -53.72 54.96 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.275 1.03 . . . . 0.0 113.375 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.06 -35.27 76.36 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.749 0.419 . . . . 0.0 112.008 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.45 -50.35 73.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.673 1.189 . . . . 0.0 111.883 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -63.89 -36.72 84.86 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.74 -0.6 . . . . 0.0 112.548 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -40.78 96.07 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.206 -0.934 . . . . 0.0 113.16 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.83 -46.97 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.782 170.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.24 -41.05 87.8 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.746 0.703 . . . . 0.0 112.203 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -59.94 -43.33 95.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.699 1.2 . . . . 0.0 112.135 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -65.76 -49.22 69.18 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.906 1.23 . . . . 0.0 112.805 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.93 -37.7 74.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.57 0.748 . . . . 0.0 112.334 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.1 34.87 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.661 1.184 . . . . 0.0 111.733 171.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.45 -22.2 61.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.58 1.952 . . . . 0.0 114.711 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.64 -19.23 5.67 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 164.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -140.86 -53.29 0.48 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.86 1.264 . . . . 0.0 113.92 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -152.84 100.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 127.998 2.519 . . . . 0.0 107.517 -175.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -61.24 -9.13 4.45 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 -170.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.3 m -63.6 86.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.41 1.884 . . . . 0.0 112.712 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -50.18 -43.99 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.223 1.409 . . . . 0.0 113.292 -174.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -63.83 -45.15 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 m -64.45 -42.21 96.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.736 0.814 . . . . 0.0 111.823 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.91 -48.24 82.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.486 1.114 . . . . 0.0 112.305 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.01 -42.76 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.122 0.969 . . . . 0.0 111.405 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.18 -48.73 75.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.062 0.846 . . . . 0.0 111.741 173.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -45.79 92.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.458 1.503 . . . . 0.0 111.732 176.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -56.68 -49.67 74.41 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.513 1.525 . . . . 0.0 112.776 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.94 -44.76 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.485 0.714 . . . . 0.0 110.821 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.78 -57.47 10.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.814 0.846 . . . . 0.0 110.903 173.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.14 -26.58 68.4 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.2 m -77.14 -23.83 51.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.69 0.796 . . . . 0.0 112.951 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -119.45 -23.12 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.061 0.944 . . . . 0.0 112.534 -168.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.5 mp -132.4 134.41 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 126.361 1.865 . . . . 0.0 109.606 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -127.59 -33.41 2.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -161.14 115.94 2.09 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.405 1.882 . . . . 0.0 109.985 174.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -143.07 19.45 1.94 Allowed 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.17 -177.68 34.77 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.728 1.156 . . . . 0.0 114.489 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 41.2 p -117.4 -23.36 7.81 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.634 1.574 . . . . 0.0 113.853 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -147.42 167.03 25.42 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.801 2.04 . . . . 0.0 111.556 -174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -151.59 173.06 15.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.524 1.13 . . . . 0.0 113.249 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -137.4 128.78 28.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.929 1.691 . . . . 0.0 109.726 173.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 77.3 p -144.78 17.97 1.63 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -164.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.7 p -60.79 161.13 8.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.859 1.264 . . . . 0.0 113.858 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.39 35.7 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 125.552 1.541 . . . . 0.0 110.765 -172.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 127.367 2.267 . . . . 0.0 113.663 -173.781 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 119.957 -0.068 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -135.61 163.63 29.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.638 1.575 . . . . 0.0 112.293 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -132.54 150.75 52.11 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.114 1.766 . . . . 0.0 110.577 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -136.03 146.06 46.73 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.873 1.669 . . . . 0.0 110.027 -166.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.15 156.65 31.89 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -163.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.2 t -138.3 127.44 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.023 1.329 . . . . 0.0 109.048 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.3 p -142.06 137.3 30.96 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.754 1.222 . . . . 0.0 111.783 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -166.81 -173.28 2.35 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.33 1.452 . . . . 0.0 111.826 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.1 151.4 48.69 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.663 1.585 . . . . 0.0 112.514 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -133.73 172.57 12.59 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 127.015 2.126 . . . . 0.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -84.03 162.49 20.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.865 1.266 . . . . 0.0 111.721 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -55.26 -54.18 46.73 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.094 0.958 . . . . 0.0 112.833 -176.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.69 -34.63 72.18 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.0 -52.67 64.37 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.822 -0.549 . . . . 0.0 110.673 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -61.91 -38.63 89.12 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -60.89 -43.61 98.25 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.081 0.855 . . . . 0.0 113.065 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -62.84 -49.95 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.972 0.806 . . . . 0.0 110.94 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.87 -39.21 84.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.756 0.707 . . . . 0.0 111.86 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.19 -45.43 93.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.366 1.067 . . . . 0.0 112.205 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -62.51 -48.35 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.097 1.317 . . . . 0.0 111.856 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.64 -33.33 74.81 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.811 0.844 . . . . 0.0 112.318 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.68 -51.26 36.1 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.648 0.658 . . . . 0.0 112.186 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -59.68 -21.66 60.87 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 113.61 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -51.87 -34.58 41.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 167.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -162.77 -27.6 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.07 -31.24 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.048 1.339 . . . . 0.0 112.506 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 69.21 5.57 5.18 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.495 1.918 . . . . 0.0 115.759 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.4 p -152.1 133.29 14.37 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.953 -1.092 . . . . 0.0 113.535 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 m -61.69 -38.68 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -65.39 -49.93 67.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.763 0.71 . . . . 0.0 112.078 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -67.0 -36.76 82.86 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.118 0.567 . . . . 0.0 111.829 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.76 -52.94 62.96 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 173.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.67 -40.98 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.999 0.818 . . . . 0.0 111.318 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -49.98 -57.29 7.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.321 1.049 . . . . 0.0 111.614 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -64.06 -40.83 97.14 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.37 1.068 . . . . 0.0 112.601 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -56.13 -49.86 72.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.581 1.552 . . . . 0.0 112.222 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.32 -44.54 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.75 -49.14 76.13 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.778 0.717 . . . . 0.0 112.402 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -62.92 -32.71 74.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.2 m -76.43 -34.57 58.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.742 0.817 . . . . 0.0 112.948 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.4 mm -105.94 -63.67 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.892 0.877 . . . . 0.0 111.983 -169.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -164.07 136.48 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.615 1.166 . . . . 0.0 112.283 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -159.59 159.69 33.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.167 2.187 . . . . 0.0 108.824 173.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -143.54 83.4 1.77 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.119 1.368 . . . . 0.0 110.763 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.2 tttm 53.57 27.91 7.22 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 126.168 1.787 . . . . 0.0 113.009 -169.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.48 -166.22 20.29 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 126.165 1.841 . . . . 0.0 112.656 -171.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 t -160.15 172.36 17.58 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.284 1.833 . . . . 0.0 110.437 165.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.82 118.77 7.07 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.545 1.138 . . . . 0.0 111.824 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -142.24 172.84 12.14 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.846 2.058 . . . . 0.0 110.535 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -140.27 150.02 43.55 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.735 1.214 . . . . 0.0 111.843 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.7 p -143.68 13.82 1.73 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.603 1.561 . . . . 0.0 113.562 -177.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.9 m -76.7 2.29 14.66 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.5 tt -146.16 148.27 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.791 1.636 . . . . 0.0 111.003 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.352 1.461 . . . . 0.0 113.217 178.005 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 111.248 0.092 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -110.83 1.95 18.0 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.365 1.466 . . . . 0.0 114.603 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -139.12 139.57 37.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.562 1.945 . . . . 0.0 109.624 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.76 108.78 11.03 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.482 . . . . 0.0 109.862 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.2 p -80.47 158.86 25.76 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -168.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.36 135.25 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.414 1.485 . . . . 0.0 108.68 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -154.25 122.76 6.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.549 1.14 . . . . 0.0 110.998 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -154.91 177.89 10.79 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.348 1.059 . . . . 0.0 113.471 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -126.6 152.19 46.96 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.926 1.691 . . . . 0.0 112.728 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -142.36 179.88 6.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.156 2.582 . . . . 0.0 110.409 -173.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -83.64 161.63 21.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.158 0.983 . . . . 0.0 111.8 170.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.52 -42.19 82.34 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.232 0.613 . . . . 0.0 112.014 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.27 -49.2 78.03 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.902 0.881 . . . . 0.0 111.714 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.52 -44.4 90.98 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.505 -0.747 . . . . 0.0 111.842 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -62.75 -39.53 94.45 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.78 -41.21 99.15 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.712 1.142 . . . . 0.0 113.266 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.81 -48.95 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.515 -0.741 . . . . 0.0 110.953 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.8 -38.53 91.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.026 0.83 . . . . 0.0 112.812 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.08 -53.04 61.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.888 1.275 . . . . 0.0 111.046 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.56 -49.16 74.53 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.406 0.682 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 35.0 tp -61.19 -37.27 82.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.33 1.052 . . . . 0.0 112.424 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.43 -55.02 10.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.969 0.907 . . . . 0.0 111.769 170.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.95 -24.4 37.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 114.707 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -50.67 -26.41 5.43 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 166.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -140.13 -35.9 0.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.83 97.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 127.929 2.492 . . . . 0.0 109.884 -172.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -53.44 -22.51 7.95 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 t -69.44 96.03 0.86 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.026 1.33 . . . . 0.0 111.9 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 86.3 t -57.59 -39.76 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.863 0.865 . . . . 0.0 111.802 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -63.57 -43.09 98.03 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.264 -0.897 . . . . 0.0 112.92 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -65.0 -43.77 91.45 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.883 0.765 . . . . 0.0 111.836 173.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -56.88 -50.04 73.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.817 0.847 . . . . 0.0 112.295 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.06 -41.84 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 118.753 0.706 . . . . 0.0 111.503 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.38 -52.22 64.26 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.372 0.987 . . . . 0.0 111.624 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -60.45 -42.57 96.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.529 1.132 . . . . 0.0 112.732 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -56.27 -47.53 78.39 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.443 1.497 . . . . 0.0 112.441 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.58 -50.76 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.165 0.986 . . . . 0.0 110.698 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -53.77 -51.8 62.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.069 0.547 . . . . 0.0 111.517 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.69 97.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.353 1.061 . . . . 0.0 112.982 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.1 m -72.76 -38.77 67.22 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mp -93.24 -25.59 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.201 0.909 . . . . 0.0 112.609 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 30.4 mt -130.28 112.59 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-O 122.569 1.176 . . . . 0.0 110.934 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -72.32 -38.89 68.58 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.586 1.155 . . . . 0.0 113.192 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -143.6 104.14 4.17 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.832 2.053 . . . . 0.0 109.67 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -56.06 155.12 6.74 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.774 1.63 . . . . 0.0 112.821 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.28 -19.92 79.27 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.204 0.907 . . . . 0.0 114.507 174.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 5.8 m -141.79 148.32 38.71 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.655 1.582 . . . . 0.0 110.131 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -77.91 -5.58 51.51 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -172.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.56 154.53 35.9 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.062 1.345 . . . . 0.0 113.373 -176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -157.27 177.05 11.9 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.2 1.8 . . . . 0.0 111.928 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -129.29 19.64 5.82 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.267 1.427 . . . . 0.0 113.409 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 t -81.29 47.29 1.01 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.151 1.781 . . . . 0.0 112.17 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -65.14 166.48 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 125.251 1.42 . . . . 0.0 113.849 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 t30 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.048 1.739 . . . . 0.0 111.634 -179.791 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 tptm . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 119.637 -0.221 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.28 158.56 16.94 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.375 1.07 . . . . 0.0 113.327 -177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -125.37 149.81 47.79 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.971 1.708 . . . . 0.0 111.262 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -141.08 146.54 37.27 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.451 2.3 . . . . 0.0 110.467 -167.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.53 157.9 26.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -138.21 126.29 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 108.948 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 p -143.01 127.97 18.42 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.673 1.189 . . . . 0.0 112.0 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -158.78 -174.62 4.86 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.509 1.124 . . . . 0.0 112.411 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.5 150.86 48.5 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.265 1.426 . . . . 0.0 112.682 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -131.54 171.93 12.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.484 2.314 . . . . 0.0 110.469 175.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.7 m -81.32 158.13 24.83 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.13 . . . . 0.0 111.196 173.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -56.6 -48.76 76.74 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.944 0.897 . . . . 0.0 113.178 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -39.21 84.76 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.058 0.543 . . . . 0.0 112.272 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.07 -53.37 58.63 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.625 0.77 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -61.8 -38.75 89.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.819 -0.551 . . . . 0.0 112.157 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.33 -41.58 96.71 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.031 0.932 . . . . 0.0 113.217 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.17 -46.36 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.041 -1.037 . . . . 0.0 111.161 171.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.57 -39.23 83.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.92 0.782 . . . . 0.0 111.898 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -62.29 -39.62 93.58 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.265 1.026 . . . . 0.0 112.462 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -66.55 -49.29 66.92 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.632 1.105 . . . . 0.0 112.147 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.61 -36.3 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.682 0.793 . . . . 0.0 111.969 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.83 -49.73 49.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.59 1.156 . . . . 0.0 112.331 170.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.64 -19.25 47.93 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.319 1.848 . . . . 0.0 114.263 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.8 -25.63 0.79 Allowed 'General case' 0 CA--C 1.557 1.217 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 160.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.4 -43.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.534 1.534 . . . . 0.0 114.129 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 p -168.58 109.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.7 2.4 . . . . 0.0 108.737 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.96 -11.62 3.6 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -56.96 93.87 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.306 1.842 . . . . 0.0 113.594 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.7 t -55.32 -41.27 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.764 1.226 . . . . 0.0 112.95 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.26 -42.24 93.44 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.7 m -65.69 -41.1 92.8 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.742 0.817 . . . . 0.0 111.867 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.79 -44.26 94.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.463 0.705 . . . . 0.0 112.168 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.89 -43.22 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.873 0.869 . . . . 0.0 111.675 173.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.77 -49.42 73.18 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.504 1.047 . . . . 0.0 111.555 173.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -62.14 -41.04 97.88 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.623 1.169 . . . . 0.0 112.724 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.92 -48.49 79.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.213 1.405 . . . . 0.0 112.485 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.4 mt -65.2 -45.2 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.774 0.83 . . . . 0.0 110.648 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.7 mt -56.44 -52.55 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.476 0.71 . . . . 0.0 112.056 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.15 -34.87 74.16 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.4 m -73.1 -29.43 62.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.729 0.812 . . . . 0.0 112.891 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -112.73 -26.07 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.805 0.842 . . . . 0.0 113.006 -168.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.5 mm -124.3 131.32 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.544 1.538 . . . . 0.0 110.296 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -138.97 6.98 2.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.893 1.277 . . . . 0.0 113.983 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -133.64 35.63 3.38 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.278 2.231 . . . . 0.0 111.326 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.88 140.09 25.42 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.328 1.851 . . . . 0.0 112.604 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -150.15 17.66 1.05 Allowed Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.698 1.142 . . . . 0.0 114.725 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 p -142.2 161.48 37.89 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.854 2.062 . . . . 0.0 111.044 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -151.73 170.1 20.57 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.612 1.165 . . . . 0.0 112.91 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -139.48 55.62 1.67 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.024 1.73 . . . . 0.0 110.389 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -56.44 152.56 11.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t 60.6 10.39 2.55 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.174 1.79 . . . . 0.0 115.667 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 t -68.22 158.02 34.21 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.806 -1.184 . . . . 0.0 112.038 169.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.2 pt -136.38 26.21 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.867 2.067 . . . . 0.0 111.618 -175.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.698 1.599 . . . . 0.0 112.57 -162.849 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.27 25.5 pttm . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -66.27 161.05 23.1 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 120.0 1.273 . . . . 0.0 112.813 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -138.29 133.05 32.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.709 2.004 . . . . 0.0 110.833 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -134.33 110.26 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.524 1.53 . . . . 0.0 109.851 -173.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p -83.64 159.54 21.55 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -137.54 131.58 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.715 1.606 . . . . 0.0 108.332 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -152.05 121.83 6.99 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.225 1.01 . . . . 0.0 111.657 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -155.45 174.86 14.64 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.2 1.0 . . . . 0.0 113.292 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.96 151.22 45.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.791 1.636 . . . . 0.0 112.9 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 44.8 mt -140.08 178.23 7.42 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.912 2.885 . . . . 0.0 109.179 -175.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.4 p -83.68 162.59 20.68 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.71 -0.619 . . . . 0.0 112.305 171.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.35 -47.39 75.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 112.496 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.91 -38.97 79.92 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.21 0.604 . . . . 0.0 112.392 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.09 -45.79 90.45 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.474 -0.766 . . . . 0.0 111.722 172.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -63.62 -39.48 94.46 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.829 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -58.74 -44.54 90.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.575 1.079 . . . . 0.0 112.585 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.78 -51.0 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.383 -0.823 . . . . 0.0 111.077 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.1 mt -59.39 -40.15 85.66 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.569 0.622 . . . . 0.0 112.077 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.96 -42.8 99.93 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.994 1.718 . . . . 0.0 112.427 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -65.42 -51.17 62.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.774 0.83 . . . . 0.0 111.801 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.34 -34.75 74.27 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.482 0.713 . . . . 0.0 112.383 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -61.99 1.64 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.318 1.047 . . . . 0.0 111.35 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.37 -21.51 36.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.605 1.562 . . . . 0.0 114.798 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.94 -26.61 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 165.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.93 -22.0 0.19 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -148.84 93.17 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 128.017 2.527 . . . . 0.0 108.244 -172.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.68 -25.38 53.74 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.9 m -74.95 85.03 2.25 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.701 1.6 . . . . 0.0 111.987 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.18 -43.11 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.477 1.511 . . . . 0.0 113.109 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -65.6 -42.66 91.38 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -67.96 -35.61 78.68 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.913 0.885 . . . . 0.0 112.246 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.22 -49.35 78.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.768 0.827 . . . . 0.0 111.479 168.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.98 -44.28 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.163 0.892 . . . . 0.0 111.48 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.64 -51.23 63.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.117 0.967 . . . . 0.0 111.959 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -69.2 -33.54 73.5 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -57.71 -46.15 84.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.38 1.072 . . . . 0.0 112.229 170.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.0 mt -65.92 -45.74 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.657 0.783 . . . . 0.0 110.506 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -52.77 -53.43 48.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.511 0.596 . . . . 0.0 111.124 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.61 -4.74 4.45 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.5 p -124.9 8.85 8.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.439 1.496 . . . . 0.0 113.28 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.5 mm -132.74 -27.36 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 126.207 1.803 . . . . 0.0 111.564 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 45.5 mm -127.03 140.53 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 127.13 2.172 . . . . 0.0 109.156 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -136.62 55.5 1.84 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.365 1.466 . . . . 0.0 110.905 -168.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -140.18 100.52 3.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.487 1.915 . . . . 0.0 110.158 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.93 151.93 43.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.543 1.937 . . . . 0.0 111.017 -177.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.76 -15.16 0.02 OUTLIER Glycine 0 CA--C 1.538 1.491 0 N-CA-C 116.353 1.301 . . . . 0.0 116.353 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.4 p -62.29 160.41 13.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.323 1.449 . . . . 0.0 113.732 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -141.67 34.77 1.62 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.232 1.413 . . . . 0.0 112.418 -172.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -71.55 -5.49 33.7 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 -170.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -146.44 160.57 41.91 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.974 1.709 . . . . 0.0 112.075 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -146.66 14.55 1.22 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.982 1.313 . . . . 0.0 113.958 -172.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 27.5 m -56.2 142.12 38.38 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.478 1.511 . . . . 0.0 113.944 -174.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.0 pt -66.86 160.3 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.562 1.145 . . . . 0.0 113.031 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.107 1.363 . . . . 0.0 112.889 172.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.5 2.064 0 N-CA-C 111.543 0.201 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 57.08 23.23 8.23 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 127.363 2.265 . . . . 0.0 116.298 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -83.72 120.1 25.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.852 1.261 . . . . 0.0 110.328 173.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -125.36 102.52 7.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.45 1.9 . . . . 0.0 109.964 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.5 p -71.57 155.91 40.01 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -142.3 133.81 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.545 1.538 . . . . 0.0 109.147 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -143.57 138.73 29.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.686 1.194 . . . . 0.0 110.531 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -163.15 154.44 17.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -75.99 152.72 36.92 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.775 0.83 . . . . 0.0 112.806 168.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.67 175.61 9.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.925 2.49 . . . . 0.0 109.678 167.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -81.34 155.21 26.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.979 0.912 . . . . 0.0 111.53 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.12 -50.7 70.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.013 0.925 . . . . 0.0 113.195 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.79 -43.03 94.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.103 0.561 . . . . 0.0 111.794 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.42 -48.94 79.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.938 1.295 . . . . 0.0 112.39 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -59.61 -39.65 84.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.669 -0.645 . . . . 0.0 111.898 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.74 -44.41 81.56 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 m -66.27 -38.07 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 120.542 -1.349 . . . . 0.0 112.172 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.09 -37.13 86.5 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.585 -0.697 . . . . 0.0 111.635 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.56 -40.34 94.39 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.644 1.111 . . . . 0.0 112.507 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -65.17 -48.71 72.53 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 119.974 1.261 . . . . 0.0 111.981 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.85 -35.29 76.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.732 0.813 . . . . 0.0 112.312 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.36 31.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.29 1.036 . . . . 0.0 111.806 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.85 -24.99 55.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.994 1.718 . . . . 0.0 114.239 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -52.21 -26.38 11.55 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.76 -48.99 0.34 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -149.12 93.79 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 127.66 2.384 . . . . 0.0 107.995 -173.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.99 -20.47 53.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -164.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -68.76 106.44 2.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.508 1.123 . . . . 0.0 112.501 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 m -50.32 -38.51 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.786 1.234 . . . . 0.0 113.95 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -72.95 -39.32 66.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -63.74 -44.11 94.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.789 0.835 . . . . 0.0 111.313 170.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.03 -45.64 90.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.845 0.858 . . . . 0.0 112.54 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.24 -43.64 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.401 -0.812 . . . . 0.0 111.974 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -56.1 -45.44 79.43 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.75 -1.219 . . . . 0.0 111.587 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -64.1 -40.82 97.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.144 1.378 . . . . 0.0 113.245 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -56.74 -46.7 81.21 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.259 1.023 . . . . 0.0 112.196 171.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.402 HD11 HD11 ' B' ' 57' ' ' ILE . 65.0 mt -64.63 -51.91 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.151 0.981 . . . . 0.0 110.683 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -39.9 92.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.697 0.681 . . . . 0.0 111.954 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.13 -37.13 86.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.872 0.869 . . . . 0.0 112.881 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -70.1 -31.98 69.8 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.134 0.974 . . . . 0.0 112.638 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mt -110.86 -20.14 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.95 0.9 . . . . 0.0 113.293 -168.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.29 136.1 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.74 1.616 . . . . 0.0 110.118 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -142.4 94.6 2.67 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.131 1.373 . . . . 0.0 110.295 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -146.54 65.61 1.18 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.576 1.551 . . . . 0.0 110.581 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -58.17 154.26 13.39 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.243 1.417 . . . . 0.0 112.752 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.96 -26.91 0.26 Allowed Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.753 1.168 . . . . 0.0 114.203 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.0 p -135.98 167.78 20.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.623 1.969 . . . . 0.0 111.294 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -132.91 30.59 3.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.432 1.493 . . . . 0.0 111.895 -172.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 53.21 27.3 5.86 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.876 1.67 . . . . 0.0 113.52 -165.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -65.49 -5.28 7.45 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.506 2.322 . . . . 0.0 114.941 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 t -76.42 7.61 4.24 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.423 1.489 . . . . 0.0 113.498 166.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.0 m 54.57 55.13 8.35 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.621 1.968 . . . . 0.0 113.336 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.14 147.82 25.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.496 1.519 . . . . 0.0 111.655 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 p30 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 124.932 1.293 . . . . 0.0 113.789 179.012 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -137.37 164.46 28.57 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 126.404 1.882 . . . . 0.0 111.36 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -136.55 134.55 37.62 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.878 1.671 . . . . 0.0 110.322 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.38 105.9 6.82 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.794 1.638 . . . . 0.0 110.718 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 33.1 t -88.59 159.13 18.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -168.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.98 132.64 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 127.089 2.156 . . . . 0.0 108.584 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -142.62 121.21 12.52 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.517 1.127 . . . . 0.0 112.475 -168.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -157.12 -171.45 3.64 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.487 1.115 . . . . 0.0 113.108 -170.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -127.59 144.68 51.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.319 1.448 . . . . 0.0 112.808 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 67.5 mt -119.44 170.88 8.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.607 1.963 . . . . 0.0 110.077 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -83.84 155.17 23.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.429 0.692 . . . . 0.0 111.531 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -51.42 -54.1 30.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.693 1.197 . . . . 0.0 114.224 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.22 -38.38 78.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.79 -50.42 74.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.958 1.303 . . . . 0.0 111.712 172.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.58 -43.78 98.23 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.887 0.875 . . . . 0.0 111.499 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.89 -40.6 96.89 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.51 -50.4 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.33 0.652 . . . . 0.0 111.079 172.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.71 -39.42 88.52 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.927 0.785 . . . . 0.0 112.007 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -67.53 -32.95 74.08 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.813 1.645 . . . . 0.0 113.439 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.84 -49.02 67.05 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.985 1.266 . . . . 0.0 111.495 169.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -59.9 -33.84 72.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.635 0.774 . . . . 0.0 112.213 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.81 24.05 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.189 0.996 . . . . 0.0 111.556 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.84 -24.64 52.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.843 1.657 . . . . 0.0 114.911 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -54.65 -18.89 5.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 167.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.65 -39.08 0.1 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -150.57 92.03 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 127.23 2.212 . . . . 0.0 110.008 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.28 -18.83 18.39 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.1 m -62.61 97.62 0.1 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.171 1.788 . . . . 0.0 113.149 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.91 -37.77 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -58.3 -52.87 63.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.082 0.856 . . . . 0.0 111.992 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 t -65.08 -45.87 83.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.262 1.025 . . . . 0.0 111.808 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.66 -48.23 81.78 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.43 -40.31 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.529 -0.732 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -53.03 -52.69 57.66 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.459 1.027 . . . . 0.0 111.696 170.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -57.48 -50.8 71.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.98 1.712 . . . . 0.0 112.137 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -53.8 -47.79 70.48 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.588 1.155 . . . . 0.0 112.515 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.402 HD11 HD11 ' A' ' 57' ' ' ILE . 83.9 mt -67.87 -45.98 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.743 0.817 . . . . 0.0 111.124 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.02 -51.02 70.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.924 0.89 . . . . 0.0 111.422 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.54 -25.7 68.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.231 1.013 . . . . 0.0 113.601 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 80.1 m -77.04 -40.75 45.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.439 0.696 . . . . 0.0 111.624 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.7 mt -68.98 -41.46 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.497 1.119 . . . . 0.0 112.095 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tp -150.78 152.36 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.777 1.231 . . . . 0.0 111.467 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -144.43 129.36 18.44 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.799 1.24 . . . . 0.0 110.638 172.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -164.74 135.86 4.18 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.064 2.545 . . . . 0.0 108.631 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -132.86 30.86 3.98 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.176 1.79 . . . . 0.0 112.786 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.68 21.43 4.23 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.054 1.788 . . . . 0.0 113.642 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 39.0 p -72.34 170.54 13.96 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.038 1.735 . . . . 0.0 112.958 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -131.28 37.24 3.74 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.402 1.481 . . . . 0.0 111.839 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -146.61 175.25 10.73 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.057 1.743 . . . . 0.0 112.07 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -137.14 166.06 24.61 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.515 1.526 . . . . 0.0 112.263 -175.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 3.7 t -139.5 35.06 2.04 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.248 1.419 . . . . 0.0 112.064 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.3 t -147.25 164.95 31.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.709 1.604 . . . . 0.0 111.561 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.45 135.69 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 126.101 1.76 . . . . 0.0 109.374 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.487 1.515 . . . . 0.0 114.139 177.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 111.357 0.132 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -126.57 4.44 6.83 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 125.331 1.452 . . . . 0.0 114.359 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -82.92 120.89 26.27 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.387 1.475 . . . . 0.0 110.019 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -127.53 142.04 51.49 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.435 1.894 . . . . 0.0 109.659 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -122.32 157.74 31.09 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.285 -0.884 . . . . 0.0 113.242 -164.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.8 t -139.69 123.94 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 109.2 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p -143.24 123.84 14.06 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.657 1.183 . . . . 0.0 112.427 -171.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.19 -172.79 3.9 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.769 1.227 . . . . 0.0 112.643 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.39 146.75 50.69 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.323 1.449 . . . . 0.0 112.553 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -127.52 171.56 11.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.065 2.146 . . . . 0.0 110.478 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -83.35 159.33 21.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.608 0.763 . . . . 0.0 112.132 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -51.91 -60.69 2.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.342 1.457 . . . . 0.0 113.373 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.86 -32.9 72.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.23 -50.81 71.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.626 1.17 . . . . 0.0 111.359 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -64.39 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.707 -0.663 . . . . 0.0 112.11 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.48 -43.01 97.42 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.572 1.078 . . . . 0.0 113.16 172.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.3 t -62.78 -47.99 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.067 0.849 . . . . 0.0 110.85 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.36 -40.29 85.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.49 0.586 . . . . 0.0 111.913 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -62.69 -44.71 95.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.153 1.381 . . . . 0.0 112.481 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.84 -49.59 75.68 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.279 0.945 . . . . 0.0 111.918 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.0 -31.45 72.36 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.89 61.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.802 0.728 . . . . 0.0 111.774 168.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -58.61 -27.48 64.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.805 1.242 . . . . 0.0 113.361 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.37 -32.53 70.22 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.14 -4.59 0.14 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.184 2.661 . . . . 0.0 118.184 -167.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.31 -32.21 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 125.844 1.658 . . . . 0.0 112.945 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.35 13.42 4.01 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.041 2.137 . . . . 0.0 116.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -139.58 90.32 2.4 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.169 1.788 . . . . 0.0 110.212 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 t -52.47 -46.39 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.846 1.258 . . . . 0.0 113.46 -165.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -66.5 -30.12 70.38 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.168 -0.957 . . . . 0.0 113.348 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -85.21 -29.25 24.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.904 0.882 . . . . 0.0 112.258 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.87 -46.37 90.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.03 0.932 . . . . 0.0 111.301 162.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.77 -43.05 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.521 -0.737 . . . . 0.0 111.516 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -53.4 26.54 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.482 1.037 . . . . 0.0 111.595 170.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -58.39 -47.06 85.08 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.516 0.726 . . . . 0.0 112.818 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -54.56 -49.18 70.96 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.496 1.119 . . . . 0.0 112.751 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.83 -53.38 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.297 0.639 . . . . 0.0 109.829 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -46.4 84.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.071 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -62.15 -47.22 85.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.871 0.76 . . . . 0.0 111.87 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.3 m -60.57 -39.43 87.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mp -80.13 -41.91 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.945 0.793 . . . . 0.0 111.807 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 tt -150.84 93.63 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 123.275 1.512 . . . . 0.0 112.566 -173.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.68 -27.6 68.81 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.807 1.243 . . . . 0.0 114.262 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -143.79 102.49 3.92 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.2 1.8 . . . . 0.0 110.334 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.01 154.79 11.95 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.09 0.956 . . . . 0.0 111.262 167.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.15 -16.39 72.08 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.02 0.819 . . . . 0.0 114.728 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -141.1 172.34 12.82 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.722 2.009 . . . . 0.0 111.586 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -143.38 159.32 42.58 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.254 1.422 . . . . 0.0 112.392 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -148.32 141.12 24.65 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.749 1.62 . . . . 0.0 109.333 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -138.29 35.0 2.3 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.381 1.073 . . . . 0.0 111.928 -162.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -69.11 6.81 0.85 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.575 1.95 . . . . 0.0 115.911 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.0 m -137.34 153.33 50.26 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.076 1.75 . . . . 0.0 111.743 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.29 18.76 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.989 1.316 . . . . 0.0 112.257 -170.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 t30 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.184 1.793 . . . . 0.0 111.592 -179.538 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mptt . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 119.921 -0.085 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -120.9 1.78 10.46 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -100.37 120.89 40.64 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.666 1.587 . . . . 0.0 109.472 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -122.62 106.66 11.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.901 1.681 . . . . 0.0 109.8 -172.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -75.98 159.11 31.19 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.65 131.08 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.881 1.672 . . . . 0.0 108.31 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.2 121.13 7.1 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.257 1.023 . . . . 0.0 111.066 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -154.12 177.97 10.49 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.243 1.017 . . . . 0.0 113.044 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.26 157.92 29.25 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.688 1.595 . . . . 0.0 112.803 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.0 mt -142.54 166.96 23.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.638 3.175 . . . . 0.0 109.924 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.5 t -76.79 153.3 35.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.039 164.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -49.53 -43.49 45.71 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.886 1.275 . . . . 0.0 112.806 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.59 -52.62 50.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.328 0.651 . . . . 0.0 112.183 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.21 -33.85 70.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.22 -0.925 . . . . 0.0 112.686 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.22 -42.75 99.59 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.725 -0.609 . . . . 0.0 111.545 169.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.41 -36.48 84.3 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.212 0.914 . . . . 0.0 113.329 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.63 -50.43 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.181 0.9 . . . . 0.0 110.876 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.34 -36.27 79.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.91 0.777 . . . . 0.0 112.292 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -64.32 -38.8 92.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.873 1.269 . . . . 0.0 112.826 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.72 -48.26 72.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.763 1.165 . . . . 0.0 111.618 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.15 -37.14 74.1 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 112.144 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -54.31 18.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.075 0.95 . . . . 0.0 112.064 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.82 -25.76 43.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.996 1.719 . . . . 0.0 114.296 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.82 -26.07 13.38 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 168.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.98 -45.05 0.34 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.0 91.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 127.935 2.494 . . . . 0.0 109.728 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.48 -17.78 15.25 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -168.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -66.37 86.92 0.11 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.24 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 t -48.66 -45.68 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 113.834 -168.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -67.47 -40.11 85.29 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.2 t -67.03 -41.02 87.31 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.098 0.959 . . . . 0.0 111.481 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.23 -49.93 72.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.907 0.883 . . . . 0.0 111.865 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.81 -45.7 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.892 0.769 . . . . 0.0 111.637 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -55.32 -51.29 67.2 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.132 0.973 . . . . 0.0 111.678 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -62.26 -41.03 98.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.827 1.251 . . . . 0.0 112.363 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -58.3 -49.06 78.5 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.676 1.59 . . . . 0.0 112.323 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.42 -45.63 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.557 0.743 . . . . 0.0 110.888 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.03 -56.23 19.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.699 0.8 . . . . 0.0 110.831 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.85 -36.84 80.15 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.628 1.171 . . . . 0.0 113.49 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 99.1 m -67.1 -29.99 69.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.909 . . . . 0.0 112.868 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt -115.08 -23.49 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.826 0.85 . . . . 0.0 112.643 -168.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.76 134.06 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.34 1.856 . . . . 0.0 109.537 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -149.48 128.28 12.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.928 0.891 . . . . 0.0 111.481 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -158.63 114.49 2.66 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.824 2.05 . . . . 0.0 109.065 176.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.24 144.21 41.76 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.687 1.195 . . . . 0.0 112.158 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.85 -29.49 1.02 Allowed Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.812 1.196 . . . . 0.0 114.025 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 29.7 p -68.43 158.7 33.1 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.107 1.363 . . . . 0.0 112.536 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -132.55 2.41 3.79 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -174.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -144.15 155.03 43.75 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.277 1.431 . . . . 0.0 111.793 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -133.72 2.4 3.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.753 1.621 . . . . 0.0 113.192 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 74.5 p -142.96 18.89 1.96 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.609 1.564 . . . . 0.0 113.662 -166.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 17.6 m -53.68 145.98 14.35 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.834 1.654 . . . . 0.0 114.091 -176.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 17.6 tt -60.51 148.68 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.737 1.215 . . . . 0.0 112.628 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.491 1.516 . . . . 0.0 113.378 176.124 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.4 tptt . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 119.24 -0.409 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -70.5 165.23 23.08 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.725 1.21 . . . . 0.0 112.045 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -140.01 129.15 23.71 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.693 1.597 . . . . 0.0 110.089 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -139.57 79.12 1.7 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.141 1.776 . . . . 0.0 109.785 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -64.98 150.94 47.15 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.995 -1.066 . . . . 0.0 113.316 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.46 131.16 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 127.416 2.287 . . . . 0.0 108.305 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -141.07 143.58 34.44 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.468 1.107 . . . . 0.0 111.635 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -164.32 -177.7 5.07 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.208 1.403 . . . . 0.0 111.887 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -129.9 142.31 50.67 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.35 1.46 . . . . 0.0 111.98 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.07 170.9 11.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.047 2.139 . . . . 0.0 111.488 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.6 m -82.62 161.74 22.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.304 1.042 . . . . 0.0 112.209 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -58.82 -55.56 33.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.202 1.001 . . . . 0.0 112.925 -173.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -68.23 -38.03 81.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.14 0.976 . . . . 0.0 111.84 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.21 -52.71 64.45 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.83 1.252 . . . . 0.0 111.803 174.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.42 -38.37 89.73 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.875 -0.516 . . . . 0.0 112.196 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.67 -41.63 95.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.289 0.95 . . . . 0.0 113.076 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -63.04 -47.48 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.526 -0.734 . . . . 0.0 111.114 172.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.22 -42.57 86.55 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 0.0 111.777 174.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.55 -41.78 99.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.848 1.259 . . . . 0.0 112.334 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.46 -50.93 69.49 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.654 1.115 . . . . 0.0 111.678 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.6 -31.77 73.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.144 0.578 . . . . 0.0 112.435 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.84 -58.57 5.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.472 0.709 . . . . 0.0 111.467 168.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.0 -26.27 47.86 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.641 1.576 . . . . 0.0 114.454 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -55.85 -27.7 52.89 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 169.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -143.63 -42.58 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -173.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -146.15 85.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 127.954 2.501 . . . . 0.0 108.194 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -18.9 42.04 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.607 2.076 . . . . 0.0 116.607 -169.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -67.19 87.31 0.16 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.639 1.576 . . . . 0.0 111.808 173.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.86 -39.69 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.48 1.512 . . . . 0.0 112.698 -174.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -55.29 -52.27 63.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.307 1.043 . . . . 0.0 113.244 172.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -64.41 -44.21 91.99 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.401 1.08 . . . . 0.0 111.656 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.51 -50.05 70.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.837 0.855 . . . . 0.0 112.668 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.89 -42.99 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.593 -0.692 . . . . 0.0 111.3 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -53.36 -49.61 66.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.156 0.983 . . . . 0.0 112.086 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -62.81 -45.7 91.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.489 1.516 . . . . 0.0 112.036 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.49 -49.12 70.9 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.542 1.137 . . . . 0.0 112.784 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.427 HD11 HD11 ' B' ' 57' ' ' ILE . 42.3 mt -65.54 -51.2 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.165 0.586 . . . . 0.0 109.962 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.52 -50.19 70.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.527 0.731 . . . . 0.0 111.605 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.6 m -80.53 -27.81 37.54 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.66 -27.15 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.164 0.893 . . . . 0.0 112.657 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.47 145.83 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.081 1.752 . . . . 0.0 109.412 -171.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -137.84 114.91 10.85 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.967 0.907 . . . . 0.0 111.887 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -149.01 44.13 0.98 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.148 1.779 . . . . 0.0 110.387 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -50.48 136.79 20.2 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.642 1.977 . . . . 0.0 113.132 -171.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.88 177.56 45.93 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.786 1.66 . . . . 0.0 112.46 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.7 p -58.9 132.04 52.78 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.006 0.922 . . . . 0.0 111.823 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -156.16 164.55 38.24 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.681 1.192 . . . . 0.0 112.614 -172.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -156.31 166.24 34.02 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.69 1.596 . . . . 0.0 111.466 174.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -148.68 170.56 17.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.744 1.217 . . . . 0.0 112.145 169.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 m -132.01 25.26 4.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.29 1.436 . . . . 0.0 112.418 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -64.01 154.94 32.63 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.894 0.877 . . . . 0.0 113.076 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 tt -61.22 143.94 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.764 1.226 . . . . 0.0 112.036 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.255 1.422 . . . . 0.0 113.351 178.068 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -68.52 160.86 29.05 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.413 1.085 . . . . 0.0 112.575 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -141.09 156.43 45.99 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.577 1.951 . . . . 0.0 109.913 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.83 110.76 16.29 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.716 1.607 . . . . 0.0 109.994 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p -82.21 159.94 23.13 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -168.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -137.18 137.41 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.757 1.623 . . . . 0.0 108.63 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -155.57 125.76 6.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.37 1.068 . . . . 0.0 110.779 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -157.03 156.1 32.33 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.116 0.967 . . . . 0.0 112.638 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -81.19 138.69 35.82 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.532 -0.73 . . . . 0.0 112.127 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -110.54 -177.52 3.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.428 1.491 . . . . 0.0 109.363 154.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.3 t -121.4 174.0 7.02 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.762 1.625 . . . . 0.0 111.419 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.95 -47.62 74.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.636 1.574 . . . . 0.0 113.651 -162.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.37 -52.43 40.11 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -65.79 -35.88 81.94 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.326 -0.859 . . . . 0.0 112.555 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.06 -45.66 80.55 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 118.67 0.668 . . . . 0.0 111.147 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.75 -42.1 83.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.369 1.067 . . . . 0.0 112.743 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.38 -53.2 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.582 -0.699 . . . . 0.0 111.359 172.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.07 -36.11 80.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.82 0.736 . . . . 0.0 112.587 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.62 -43.45 98.77 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.963 1.705 . . . . 0.0 112.292 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -69.01 -44.66 72.32 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.696 0.798 . . . . 0.0 112.164 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.56 -35.9 77.17 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 175.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.59 -56.27 11.5 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.601 169.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.89 -27.55 31.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.345 1.458 . . . . 0.0 114.565 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.47 -25.41 25.12 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 170.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -141.22 -39.17 0.4 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.72 96.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 127.215 2.206 . . . . 0.0 109.241 -174.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.87 -14.57 15.86 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.6 t -67.48 88.64 0.21 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.07 1.348 . . . . 0.0 111.426 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.02 -37.4 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.299 1.04 . . . . 0.0 112.626 -172.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -61.75 -49.61 75.71 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -71.97 -33.08 67.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.336 0.971 . . . . 0.0 112.088 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -57.28 -48.77 78.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.028 0.931 . . . . 0.0 112.319 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.02 -44.84 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.51 0.724 . . . . 0.0 111.086 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.13 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.129 -0.982 . . . . 0.0 112.586 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -45.34 87.96 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.17 1.388 . . . . 0.0 111.754 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.84 -48.89 77.0 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.586 1.154 . . . . 0.0 112.369 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.427 HD11 HD11 ' A' ' 57' ' ' ILE . 58.1 mt -65.17 -45.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.477 0.711 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.93 -51.75 67.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.254 1.022 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -60.55 -36.99 79.78 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.797 1.239 . . . . 0.0 113.025 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.5 m -68.29 -29.62 68.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.251 1.02 . . . . 0.0 112.948 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -116.26 -24.16 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -166.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 33.9 mm -129.46 140.43 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.96 1.704 . . . . 0.0 110.036 -174.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -142.3 94.62 2.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.347 1.459 . . . . 0.0 110.416 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -148.49 74.59 1.28 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.37 1.468 . . . . 0.0 110.918 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.14 160.49 8.14 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.324 1.45 . . . . 0.0 113.058 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.96 -38.97 0.06 OUTLIER Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.843 1.211 . . . . 0.0 113.448 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 33.1 p -138.76 150.83 46.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.355 1.862 . . . . 0.0 110.752 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -157.95 170.03 23.25 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.826 1.25 . . . . 0.0 112.397 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.97 160.3 44.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.093 1.757 . . . . 0.0 111.05 171.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -154.32 173.94 15.5 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.814 1.245 . . . . 0.0 112.877 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.7 m -130.45 27.31 5.03 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.395 1.478 . . . . 0.0 112.66 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.9 m 57.13 23.16 8.24 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.24 1.816 . . . . 0.0 115.124 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.5 148.67 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.988 1.315 . . . . 0.0 112.293 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.281 1.432 . . . . 0.0 113.501 177.146 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.499 2.02 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -125.11 10.77 8.16 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -129.86 146.64 51.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.704 1.602 . . . . 0.0 110.225 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -140.96 149.24 41.56 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.489 1.915 . . . . 0.0 110.041 -165.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.75 157.22 30.15 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.615 -0.678 . . . . 0.0 112.657 -165.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.4 t -139.4 131.66 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.245 1.418 . . . . 0.0 109.376 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 p -141.24 143.3 34.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.735 1.214 . . . . 0.0 111.123 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -165.44 -174.48 3.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.465 1.506 . . . . 0.0 111.473 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -125.23 146.18 49.64 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.811 1.244 . . . . 0.0 112.638 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.9 mt -122.77 160.47 25.89 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.06 1.744 . . . . 0.0 111.097 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 p -71.18 158.2 36.84 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.896 166.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.55 -41.6 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.771 -0.581 . . . . 0.0 111.994 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.26 -49.74 53.37 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.872 0.869 . . . . 0.0 112.546 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.75 -34.38 69.45 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.283 -0.886 . . . . 0.0 112.037 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -64.13 -43.62 94.68 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.538 171.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.43 -43.96 96.27 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.665 1.121 . . . . 0.0 112.648 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.93 -48.77 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.883 0.765 . . . . 0.0 111.262 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.9 -37.34 85.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.47 -38.51 91.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.059 1.344 . . . . 0.0 112.426 174.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -64.67 -49.95 68.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.896 1.279 . . . . 0.0 111.14 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -37.73 84.16 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.488 0.715 . . . . 0.0 111.98 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.8 68.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.977 0.911 . . . . 0.0 111.853 171.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.71 -31.72 64.77 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.458 1.026 . . . . 0.0 113.499 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.32 -8.66 19.19 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 170.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -141.14 -56.45 0.49 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.67 1.577 . . . . 0.0 114.475 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.72 94.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.98 2.912 . . . . 0.0 108.68 -173.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -10.37 8.89 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 -167.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -64.07 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.761 2.024 . . . . 0.0 112.633 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -47.17 -46.86 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 125.652 1.581 . . . . 0.0 114.406 -167.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -67.16 -33.05 74.59 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.959 -1.088 . . . . 0.0 113.366 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -73.34 -40.06 64.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 111.273 173.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -56.77 -45.97 81.78 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.654 0.781 . . . . 0.0 112.013 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -44.81 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.389 -0.82 . . . . 0.0 111.204 175.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -55.4 -46.86 76.56 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.386 0.994 . . . . 0.0 112.235 172.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -60.06 -47.45 85.82 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.666 1.587 . . . . 0.0 111.636 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -54.55 -46.72 73.7 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.524 1.53 . . . . 0.0 112.7 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.05 -48.21 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 123.605 0.762 . . . . 0.0 110.039 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tt -50.81 -59.16 4.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.874 0.87 . . . . 0.0 110.95 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -3.66 3.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 m -110.38 -10.97 14.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.144 1.378 . . . . 0.0 112.536 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.92 -22.67 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.696 1.199 . . . . 0.0 112.508 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.56 142.16 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.241 1.816 . . . . 0.0 109.963 -170.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -135.39 20.84 3.39 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -166.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -147.51 104.62 3.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.867 1.667 . . . . 0.0 110.907 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -64.78 169.23 5.28 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.318 1.447 . . . . 0.0 112.978 170.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.15 -25.99 0.06 OUTLIER Glycine 0 CA--C 1.537 1.424 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 t -151.1 175.41 12.14 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 118.757 1.279 . . . . 0.0 112.398 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -146.35 176.02 10.09 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.868 1.667 . . . . 0.0 112.418 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -140.06 39.54 1.95 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.236 1.414 . . . . 0.0 111.007 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -54.41 120.23 6.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.719 1.208 . . . . 0.0 112.844 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.5 t -168.23 110.55 0.58 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.962 1.705 . . . . 0.0 109.322 -176.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.3 p -142.15 163.62 32.36 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.384 1.474 . . . . 0.0 112.919 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.9 pt -141.07 164.56 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.156 1.782 . . . . 0.0 111.719 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 m120 . . . . . 0 C--O 1.254 1.341 0 C-N-CA 125.259 1.424 . . . . 0.0 113.068 175.093 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -64.98 162.41 16.64 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.543 1.137 . . . . 0.0 113.592 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -129.22 140.44 51.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.586 1.954 . . . . 0.0 109.591 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -128.15 104.3 7.68 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.764 1.625 . . . . 0.0 109.602 -170.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -74.8 160.87 30.16 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.03 136.42 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.717 1.607 . . . . 0.0 108.789 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.47 123.41 6.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 111.016 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -154.57 178.84 9.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.688 1.195 . . . . 0.0 112.932 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.45 150.51 50.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.603 1.561 . . . . 0.0 112.374 -172.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.06 177.22 8.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.749 2.819 . . . . 0.0 110.911 -169.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -92.1 158.08 16.39 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.388 1.075 . . . . 0.0 112.26 169.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.34 -51.47 68.14 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.351 1.06 . . . . 0.0 113.69 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -65.56 -40.11 92.43 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.627 0.771 . . . . 0.0 111.802 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -59.74 -49.39 77.9 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.099 1.36 . . . . 0.0 111.994 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.33 -44.15 97.17 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.922 -0.561 . . . . 0.0 111.424 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.45 -38.11 83.13 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.173 0.897 . . . . 0.0 113.386 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.68 -49.89 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.215 -0.928 . . . . 0.0 111.004 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.61 -37.31 80.99 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.137 0.88 . . . . 0.0 112.556 175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.4 -41.87 96.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.618 1.967 . . . . 0.0 112.378 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.82 -47.36 75.3 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.773 0.715 . . . . 0.0 111.468 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.2 -36.31 77.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.401 0.681 . . . . 0.0 112.095 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.81 -57.04 9.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.742 0.817 . . . . 0.0 111.51 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.92 -28.37 36.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.11 -20.97 60.86 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.496 1.518 . . . . 0.0 114.785 173.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -144.31 -45.37 0.25 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.2 91.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 128.273 2.629 . . . . 0.0 109.261 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -58.87 -20.2 48.95 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.1 m -66.84 92.87 0.24 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.615 1.566 . . . . 0.0 111.603 173.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.42 -39.66 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 125.039 1.336 . . . . 0.0 113.0 -172.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -57.28 -51.17 70.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.81 0.844 . . . . 0.0 113.001 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -64.89 -42.33 94.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.675 1.19 . . . . 0.0 111.835 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.67 -50.59 71.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 112.43 174.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.11 -43.27 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.735 0.698 . . . . 0.0 111.238 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.75 -50.03 69.39 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.289 0.949 . . . . 0.0 111.433 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.04 -43.56 98.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.195 1.398 . . . . 0.0 112.623 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -56.3 -47.63 78.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.135 1.374 . . . . 0.0 112.193 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.0 mt -65.71 -49.49 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tt -54.45 -50.96 66.46 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.508 0.723 . . . . 0.0 111.007 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -58.84 -40.75 85.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.332 1.053 . . . . 0.0 113.02 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.3 m -76.05 -27.07 57.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.04 -25.66 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 119.568 1.076 . . . . 0.0 112.73 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.5 60.97 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.275 1.83 . . . . 0.0 109.27 -171.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -45.99 -36.35 5.51 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.847 2.059 . . . . 0.0 114.885 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -138.12 95.39 3.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.246 1.818 . . . . 0.0 110.093 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -60.54 163.41 5.38 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.936 1.294 . . . . 0.0 113.463 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.11 -178.86 48.59 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.59 1.091 . . . . 0.0 114.859 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -142.31 168.03 20.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.541 1.937 . . . . 0.0 111.727 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -121.15 4.05 10.38 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.844 1.258 . . . . 0.0 113.571 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -153.37 156.34 38.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.083 1.753 . . . . 0.0 110.259 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -144.63 176.12 9.65 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.94 1.296 . . . . 0.0 111.877 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 50.5 m -139.86 33.9 1.98 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.96 2.104 . . . . 0.0 111.162 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 34.2 m 54.69 38.31 29.8 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.093 1.757 . . . . 0.0 113.4 -169.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mm -66.25 139.02 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.833 1.253 . . . . 0.0 111.025 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 127.602 2.361 . . . . 0.0 114.314 -179.173 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? . . . . . 0 N--CA 1.5 2.028 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -70.64 166.01 21.66 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.763 1.225 . . . . 0.0 112.549 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -133.86 134.47 42.77 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.244 1.818 . . . . 0.0 109.795 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -125.27 107.29 10.57 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.368 1.467 . . . . 0.0 110.151 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 p -78.94 159.84 27.52 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -169.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -138.03 134.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.48 1.512 . . . . 0.0 108.428 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -152.98 122.27 6.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.148 0.979 . . . . 0.0 111.189 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -155.54 -177.37 6.5 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.911 1.285 . . . . 0.0 112.425 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -122.94 152.85 40.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.363 1.465 . . . . 0.0 112.566 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -133.67 177.18 7.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.551 2.74 . . . . 0.0 109.19 173.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -105.82 168.95 8.77 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.632 1.173 . . . . 0.0 111.438 170.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -56.95 -42.97 81.03 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.913 1.285 . . . . 0.0 113.413 -166.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.82 -54.62 24.45 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.501 0.591 . . . . 0.0 112.554 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pm0 -63.95 -37.2 86.53 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.155 -0.966 . . . . 0.0 112.549 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -66.24 -41.55 89.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.114 0.87 . . . . 0.0 111.92 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.15 -42.26 94.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.334 1.054 . . . . 0.0 112.721 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.11 -50.34 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.342 0.657 . . . . 0.0 111.216 173.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.78 -42.61 97.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.845 0.748 . . . . 0.0 112.004 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -58.98 -47.01 86.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.144 1.378 . . . . 0.0 112.368 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -69.66 -43.97 71.47 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.772 0.715 . . . . 0.0 112.16 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.59 -32.15 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.277 0.631 . . . . 0.0 112.33 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 0.0 112.35 167.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.27 -31.59 65.74 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.314 1.046 . . . . 0.0 113.503 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.76 -21.46 65.85 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.5 -13.8 0.13 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 -169.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -135.92 -27.83 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 125.553 1.541 . . . . 0.0 113.118 -174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 65.17 0.5 1.3 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.841 2.164 . . . . 0.0 116.841 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.3 m -138.73 110.06 6.94 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.709 1.604 . . . . 0.0 110.235 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.13 -38.92 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.946 0.899 . . . . 0.0 112.787 -168.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -59.97 -49.51 77.4 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.385 -0.822 . . . . 0.0 112.699 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.16 -41.36 99.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.626 1.17 . . . . 0.0 111.539 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.09 -48.04 83.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.554 0.742 . . . . 0.0 112.382 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.37 -45.54 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 119.312 0.96 . . . . 0.0 111.802 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -38.66 87.92 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 120.588 1.54 . . . . 0.0 112.684 174.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.37 -40.67 93.82 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.984 1.314 . . . . 0.0 112.596 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -58.72 -48.97 79.32 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.592 1.557 . . . . 0.0 112.193 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.07 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.476 0.711 . . . . 0.0 110.743 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.5 -57.79 10.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.9 0.88 . . . . 0.0 111.25 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.17 -36.18 74.86 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.961 1.304 . . . . 0.0 113.538 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.0 m -68.15 -23.49 64.89 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.948 0.899 . . . . 0.0 113.073 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.2 mt -119.93 -25.75 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.137 0.975 . . . . 0.0 112.449 -168.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.1 mt -138.34 138.48 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 126.341 1.856 . . . . 0.0 109.489 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -140.28 103.78 4.66 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.67 1.188 . . . . 0.0 109.979 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -151.38 105.93 3.24 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.726 1.61 . . . . 0.0 109.93 -169.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -128.41 27.24 5.6 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.229 1.812 . . . . 0.0 113.359 -169.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.92 21.77 5.82 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.825 1.679 . . . . 0.0 114.325 -175.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.4 p -70.88 167.03 19.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.555 1.542 . . . . 0.0 113.199 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -131.14 17.1 5.04 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.225 1.41 . . . . 0.0 112.958 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -140.27 166.9 23.43 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.12 1.768 . . . . 0.0 111.521 -176.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -147.0 173.7 12.21 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.401 1.48 . . . . 0.0 112.529 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.7 m -110.0 13.63 23.29 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.865 1.266 . . . . 0.0 114.017 -171.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t 52.43 36.28 19.7 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.77 1.628 . . . . 0.0 114.082 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.4 tp -61.47 149.65 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.895 1.278 . . . . 0.0 112.233 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 124.968 1.307 . . . . 0.0 113.937 177.544 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 110.806 -0.072 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -62.95 166.06 6.15 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.862 1.265 . . . . 0.0 113.622 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -128.71 139.21 52.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.454 1.902 . . . . 0.0 108.628 168.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -125.16 98.03 5.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.75 1.22 . . . . 0.0 110.135 -169.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.3 p -78.09 159.45 28.66 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.1 t -141.91 125.95 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.726 1.611 . . . . 0.0 108.844 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.4 p -143.01 137.0 29.0 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.466 1.106 . . . . 0.0 111.5 -176.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -165.62 -174.81 3.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.119 1.368 . . . . 0.0 112.187 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -126.06 152.68 45.49 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.662 1.585 . . . . 0.0 112.289 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -133.81 170.71 15.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.477 2.311 . . . . 0.0 110.326 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.7 t -78.76 158.74 28.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.568 0.747 . . . . 0.0 111.879 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.24 -52.05 67.35 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.717 1.207 . . . . 0.0 112.914 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.81 -37.76 79.44 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.863 0.465 . . . . 0.0 111.791 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.17 -51.94 67.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.93 1.292 . . . . 0.0 111.968 172.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.98 -38.44 91.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.292 0.637 . . . . 0.0 112.036 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.88 -39.26 93.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.7 -46.34 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.252 -0.905 . . . . 0.0 110.986 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.74 -40.05 86.79 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.533 0.606 . . . . 0.0 111.877 173.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.53 -40.47 97.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.378 . . . . 0.0 112.851 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.02 -47.29 80.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.279 0.945 . . . . 0.0 111.735 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -37.54 87.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.013 0.525 . . . . 0.0 111.682 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.14 82.7 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.949 0.899 . . . . 0.0 111.944 170.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.88 -32.38 69.44 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.037 -1.664 . . . . 0.0 113.082 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -66.24 -25.55 66.95 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -159.92 92.37 1.01 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.033 1.733 . . . . 0.0 113.094 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 t 70.61 85.7 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 127.155 2.182 . . . . 0.0 112.991 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -51.89 -30.59 24.74 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -170.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.5 m -60.06 92.62 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.581 1.552 . . . . 0.0 112.764 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.9 -41.32 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.997 1.319 . . . . 0.0 113.349 -166.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -64.9 -41.73 95.35 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.389 -0.819 . . . . 0.0 113.033 176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -70.68 -35.27 72.73 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.867 0.867 . . . . 0.0 112.056 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.71 -48.02 83.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.16 0.984 . . . . 0.0 112.04 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.32 -43.91 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.356 -0.84 . . . . 0.0 111.687 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -51.23 -51.7 51.49 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.354 1.062 . . . . 0.0 111.691 170.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -62.72 -42.89 99.88 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 112.565 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -55.18 -48.04 74.35 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.832 1.253 . . . . 0.0 112.405 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -46.66 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 mt -55.67 -50.29 70.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.318 0.647 . . . . 0.0 111.929 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.79 -38.04 83.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.773 0.829 . . . . 0.0 112.979 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.2 m -74.18 -32.7 63.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.805 0.842 . . . . 0.0 112.965 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.35 -27.9 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.927 0.891 . . . . 0.0 113.265 -166.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 mm -129.96 88.63 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.605 1.562 . . . . 0.0 109.306 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -57.41 -31.81 66.23 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -165.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -151.35 56.15 0.87 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.191 1.396 . . . . 0.0 112.947 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -48.8 139.27 10.06 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.01 1.324 . . . . 0.0 112.282 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.02 31.98 4.19 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.485 1.516 . . . . 0.0 115.427 -173.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 3.6 m -55.51 145.66 22.31 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.369 1.468 . . . . 0.0 112.033 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.29 21.52 4.03 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.425 1.09 . . . . 0.0 113.063 -169.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -70.22 161.96 29.31 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.134 0.974 . . . . 0.0 111.775 172.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -148.17 145.71 28.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.804 1.242 . . . . 0.0 112.045 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 8.1 t -153.63 59.62 0.75 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.347 1.459 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -60.51 157.34 14.36 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.717 1.207 . . . . 0.0 113.982 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 45.6 pt -141.03 163.7 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.171 1.788 . . . . 0.0 111.572 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 t30 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.166 1.387 . . . . 0.0 113.068 175.249 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.7 tptt . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -56.36 133.56 52.97 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.177 0.991 . . . . 0.0 111.634 177.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -150.02 133.76 16.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.389 1.476 . . . . 0.0 110.464 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.94 138.62 40.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.7 1.6 . . . . 0.0 109.456 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -119.46 155.86 31.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -162.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -136.57 124.77 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.196 1.398 . . . . 0.0 108.794 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -143.63 125.62 15.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.419 1.087 . . . . 0.0 111.375 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.89 -174.88 4.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.621 1.169 . . . . 0.0 112.649 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -130.69 152.11 50.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.687 1.595 . . . . 0.0 112.923 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.28 172.63 12.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.549 2.34 . . . . 0.0 110.638 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -77.01 158.02 30.83 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.214 1.005 . . . . 0.0 111.726 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.74 -47.5 82.27 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.626 1.17 . . . . 0.0 112.944 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.03 -42.32 80.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.995 0.518 . . . . 0.0 111.734 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -58.58 -49.9 75.76 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.48 0.712 . . . . 0.0 111.552 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.38 -40.17 96.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.171 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.87 -37.98 89.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.563 1.074 . . . . 0.0 113.253 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -62.05 -48.3 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 121.391 -0.818 . . . . 0.0 111.053 171.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.09 -41.02 91.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.704 0.684 . . . . 0.0 112.003 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -45.29 91.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.454 1.502 . . . . 0.0 112.408 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -65.11 -51.43 61.36 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.507 1.049 . . . . 0.0 111.315 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.2 tp -58.0 -37.85 75.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.27 1.028 . . . . 0.0 112.277 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -58.32 5.54 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.871 1.268 . . . . 0.0 111.555 170.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -54.98 -26.59 37.74 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.305 1.442 . . . . 0.0 114.824 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -55.16 -19.97 9.12 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 167.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -143.18 -33.01 0.45 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.1 t -148.6 95.21 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 128.259 2.624 . . . . 0.0 108.25 -169.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.87 -35.15 31.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.041 1.336 . . . . 0.0 114.141 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 m -69.74 86.67 0.49 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.631 1.572 . . . . 0.0 112.521 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.44 -43.6 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.996 1.718 . . . . 0.0 113.107 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -64.59 -39.23 93.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -73.1 -33.72 65.75 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.418 -0.801 . . . . 0.0 112.056 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -58.62 -46.06 87.89 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.935 -1.103 . . . . 0.0 111.831 166.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.16 -45.39 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.469 -0.769 . . . . 0.0 111.601 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -51.47 -50.91 58.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.176 0.99 . . . . 0.0 111.712 171.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.51 -43.52 98.72 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.213 1.405 . . . . 0.0 112.659 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.75 -47.25 77.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.82 1.248 . . . . 0.0 112.505 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.38 -51.04 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.118 0.567 . . . . 0.0 109.969 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.72 -51.54 62.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.392 0.677 . . . . 0.0 111.925 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -35.33 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.153 1.381 . . . . 0.0 113.254 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 m -81.6 -38.39 26.13 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.691 0.796 . . . . 0.0 112.563 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mm -83.51 -34.19 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.551 1.14 . . . . 0.0 112.77 -172.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.9 tt -145.68 150.97 15.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 C-N-CA 124.043 0.937 . . . . 0.0 112.115 -171.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -132.4 34.84 3.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.368 1.467 . . . . 0.0 112.356 -165.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -127.17 57.56 1.48 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.385 1.874 . . . . 0.0 111.297 -174.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -51.57 147.85 5.9 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.671 1.989 . . . . 0.0 113.103 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.5 178.72 40.25 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.335 1.445 . . . . 0.0 113.003 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.3 p -66.63 151.08 48.05 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.285 1.034 . . . . 0.0 112.92 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -146.25 161.01 41.21 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.835 1.654 . . . . 0.0 111.375 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -152.59 154.16 34.83 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.611 1.565 . . . . 0.0 110.808 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.6 175.48 9.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.412 1.485 . . . . 0.0 112.112 173.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -142.09 37.86 1.58 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.892 1.277 . . . . 0.0 111.485 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 t -61.55 152.74 29.5 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.159 -0.963 . . . . 0.0 113.04 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.11 14.36 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 126.303 1.841 . . . . 0.0 112.951 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.156 1.783 . . . . 0.0 112.477 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tmmm? . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -64.1 152.92 39.14 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.817 1.247 . . . . 0.0 112.071 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -134.3 155.71 49.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.16 1.784 . . . . 0.0 110.322 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.14 112.09 16.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.906 1.683 . . . . 0.0 110.333 -173.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 18.2 p -87.25 159.2 18.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -166.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.64 123.57 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.336 1.454 . . . . 0.0 108.437 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.5 p -143.69 125.31 14.95 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.321 1.048 . . . . 0.0 111.673 -171.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.44 -178.51 7.19 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.227 1.011 . . . . 0.0 113.259 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -123.96 155.22 38.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.102 1.761 . . . . 0.0 112.961 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.5 mt -143.05 174.35 10.76 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 128.915 2.886 . . . . 0.0 110.343 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -84.23 158.8 21.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.789 1.236 . . . . 0.0 111.703 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.29 -48.69 76.14 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.31 1.044 . . . . 0.0 113.516 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.41 -38.44 81.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.939 0.496 . . . . 0.0 112.26 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -62.42 -49.02 77.13 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.672 -0.642 . . . . 0.0 111.456 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -63.01 -38.17 90.13 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.983 -0.448 . . . . 0.0 112.16 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.19 -43.13 96.13 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.874 0.761 . . . . 0.0 112.534 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.82 -46.83 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.31 0.959 . . . . 0.0 111.54 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.29 -44.14 95.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.409 1.004 . . . . 0.0 111.961 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -60.7 -41.54 95.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 112.514 175.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -64.81 -49.6 70.0 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.176 1.39 . . . . 0.0 111.75 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.39 -34.68 77.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.061 0.945 . . . . 0.0 112.298 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.14 20.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.39 0.676 . . . . 0.0 111.755 170.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.47 -24.9 48.91 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.514 1.925 . . . . 0.0 114.39 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.6 -21.45 2.58 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 166.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -136.14 -50.47 0.7 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.556 1.542 . . . . 0.0 113.503 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.58 108.36 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.568 2.747 . . . . 0.0 108.653 -175.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.01 71.3 0.09 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.205 1.802 . . . . 0.0 113.685 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.4 m -143.39 74.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.281 2.232 . . . . 0.0 110.199 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.86 -38.41 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.531 1.132 . . . . 0.0 113.162 -172.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -56.83 -52.99 62.91 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.017 0.927 . . . . 0.0 113.079 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.8 t -65.79 -42.21 91.01 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.544 1.138 . . . . 0.0 111.66 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -56.78 -50.83 71.13 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.547 1.139 . . . . 0.0 112.158 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.67 -43.05 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.533 0.606 . . . . 0.0 111.408 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.74 -54.69 34.49 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.97 0.805 . . . . 0.0 112.004 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -68.46 -34.14 75.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -54.07 -48.51 70.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.35 1.06 . . . . 0.0 111.842 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.34 -48.08 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.357 0.663 . . . . 0.0 110.679 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.24 -14.72 52.49 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -110.47 10.47 23.23 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.696 1.998 . . . . 0.0 113.359 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -131.47 -39.26 1.15 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.278 1.031 . . . . 0.0 113.549 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mm -74.2 -24.97 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.245 1.018 . . . . 0.0 111.304 168.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -138.92 165.17 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 127.631 2.373 . . . . 0.0 107.752 176.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -148.76 137.43 21.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.429 1.092 . . . . 0.0 110.215 168.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -159.47 123.2 3.76 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.309 1.844 . . . . 0.0 109.019 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -125.92 167.53 15.14 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.583 1.953 . . . . 0.0 112.523 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.26 34.99 0.07 OUTLIER Glycine 0 CA--C 1.534 1.272 0 N-CA-C 115.522 0.969 . . . . 0.0 115.522 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 36.3 p -135.66 149.32 49.25 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.038 1.335 . . . . 0.0 112.061 -174.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.68 -22.19 62.5 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -172.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -67.52 -9.36 41.67 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.47 -12.81 56.09 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.389 1.476 . . . . 0.0 114.487 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 95.1 p -70.65 -5.61 30.79 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 98.9 p -153.62 168.29 26.71 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.7 1.6 . . . . 0.0 112.965 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.32 135.11 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 126.031 1.732 . . . . 0.0 108.701 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.851 1.66 . . . . 0.0 111.561 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 119.892 -0.099 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 43.92 52.11 6.73 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.323 2.249 . . . . 0.0 114.812 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.14 121.28 11.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.398 1.479 . . . . 0.0 109.494 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -129.29 111.06 12.48 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.027 1.731 . . . . 0.0 109.727 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 p -81.85 158.09 24.16 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -166.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.85 125.93 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.612 1.565 . . . . 0.0 108.833 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 p -143.69 121.12 11.67 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.192 0.997 . . . . 0.0 111.838 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.91 -172.17 4.1 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.345 1.058 . . . . 0.0 112.697 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.84 151.55 48.18 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.729 1.612 . . . . 0.0 112.718 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.68 173.81 10.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.375 2.27 . . . . 0.0 110.217 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -82.05 156.54 24.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.115 0.966 . . . . 0.0 111.748 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -55.48 -52.81 62.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.292 1.037 . . . . 0.0 113.568 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.72 -40.84 88.57 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.98 0.512 . . . . 0.0 112.049 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -58.41 -52.12 66.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.103 0.961 . . . . 0.0 111.763 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -62.22 -40.87 97.54 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.018 0.527 . . . . 0.0 111.999 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -42.15 98.82 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.6 -48.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.228 -0.92 . . . . 0.0 110.836 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.29 -35.14 76.51 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.714 -0.616 . . . . 0.0 112.224 175.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -63.93 -43.73 95.02 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.334 1.454 . . . . 0.0 112.555 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -66.14 -44.45 84.14 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.16 0.891 . . . . 0.0 111.847 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.69 -37.08 80.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.02 0.528 . . . . 0.0 112.348 173.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.37 76.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.791 0.837 . . . . 0.0 112.625 172.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.96 -33.31 71.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.694 1.134 . . . . 0.0 112.516 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.99 -10.6 58.31 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 171.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -136.46 -48.4 0.64 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -165.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -142.25 -7.82 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.843 1.657 . . . . 0.0 114.879 -169.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 69.93 6.21 5.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.6 p -147.56 133.81 19.48 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.895 -1.128 . . . . 0.0 113.355 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -69.05 -38.85 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.915 0.886 . . . . 0.0 112.265 -169.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -68.39 -38.11 81.01 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 112.671 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.418 0.687 . . . . 0.0 111.489 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.87 -42.76 90.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.773 0.829 . . . . 0.0 112.876 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -43.21 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 121.323 -0.861 . . . . 0.0 111.969 172.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.65 -40.66 92.82 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.816 -1.178 . . . . 0.0 111.643 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.56 -44.76 95.53 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.246 1.418 . . . . 0.0 112.583 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -54.63 -40.84 69.37 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.351 1.061 . . . . 0.0 112.289 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -68.83 -43.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.058 -1.026 . . . . 0.0 110.99 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.54 -8.63 14.62 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.93 -24.64 13.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.921 1.688 . . . . 0.0 114.431 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -128.36 -10.02 5.2 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -168.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.05 -25.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 126.818 2.047 . . . . 0.0 110.682 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 58.1 mt -126.55 155.25 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 127.184 2.194 . . . . 0.0 107.119 164.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -148.96 95.59 2.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.59 1.156 . . . . 0.0 110.487 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -135.73 44.93 2.46 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.118 1.767 . . . . 0.0 111.532 -170.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -51.42 134.41 28.62 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.724 1.61 . . . . 0.0 112.282 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.3 -31.5 1.16 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.127 1.346 . . . . 0.0 113.844 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.6 p -141.21 167.17 22.82 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.509 1.923 . . . . 0.0 111.708 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -149.04 175.18 11.54 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.138 1.375 . . . . 0.0 112.224 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -134.01 170.89 14.97 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.78 1.632 . . . . 0.0 111.086 174.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -149.98 152.84 35.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.541 1.536 . . . . 0.0 111.379 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 t -152.83 95.47 1.99 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.982 1.313 . . . . 0.0 110.323 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.9 p -71.83 37.61 0.06 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.928 2.491 . . . . 0.0 115.685 -172.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -53.58 130.64 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.74 1.616 . . . . 0.0 111.057 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.5 t30 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.585 1.554 . . . . 0.0 113.394 178.536 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 N--CA 1.495 1.825 0 N-CA-C 111.181 0.067 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -131.03 163.11 28.31 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 126.288 1.835 . . . . 0.0 110.961 173.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -134.15 133.12 40.64 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.765 1.626 . . . . 0.0 109.715 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.18 109.1 12.45 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.379 1.472 . . . . 0.0 110.14 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 25.5 p -82.87 158.09 22.83 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -166.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -140.42 122.42 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 108.532 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.8 p -142.97 121.7 12.61 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.19 0.996 . . . . 0.0 112.113 -170.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -157.1 -173.24 4.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -129.33 148.71 51.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.601 1.56 . . . . 0.0 112.532 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -127.9 172.78 10.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.617 2.367 . . . . 0.0 110.666 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -80.15 160.93 25.52 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.963 0.905 . . . . 0.0 111.871 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.55 -52.48 64.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.282 1.033 . . . . 0.0 112.9 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.53 -40.01 85.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.852 0.461 . . . . 0.0 111.53 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.06 -53.4 57.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.936 1.294 . . . . 0.0 111.9 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.48 -38.1 88.78 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.341 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.84 -42.97 99.95 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.798 1.181 . . . . 0.0 113.14 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.78 -46.79 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.495 -0.753 . . . . 0.0 110.718 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.24 -39.13 85.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.686 0.675 . . . . 0.0 112.304 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.61 -40.78 98.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.917 1.287 . . . . 0.0 112.288 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -63.71 -51.65 64.07 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.146 0.978 . . . . 0.0 111.816 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -32.56 74.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.586 0.754 . . . . 0.0 112.482 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -55.45 14.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.064 0.946 . . . . 0.0 111.47 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.83 -27.77 44.7 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.512 1.525 . . . . 0.0 114.219 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.03 -26.08 24.6 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -143.2 -44.16 0.29 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -147.07 88.36 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.133 2.573 . . . . 0.0 109.645 -174.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.18 -16.12 12.35 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -170.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -65.94 84.5 0.08 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.113 1.765 . . . . 0.0 112.001 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.413 HG23 ' H ' ' B' ' 49' ' ' VAL . 3.1 t -51.8 -39.68 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.429 1.492 . . . . 0.0 113.172 -174.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -62.89 -42.1 99.65 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 175.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -66.14 -42.68 88.78 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.242 1.017 . . . . 0.0 111.426 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.3 -46.33 79.83 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.885 0.874 . . . . 0.0 112.548 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.88 -44.99 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.404 -0.81 . . . . 0.0 111.648 174.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.64 -44.16 72.96 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 0.0 112.39 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -65.2 -44.52 88.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.56 1.544 . . . . 0.0 112.349 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -53.99 -49.57 68.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.692 0.797 . . . . 0.0 111.862 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.84 -51.71 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.642 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 51.0 tp -54.91 -53.57 53.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.152 0.981 . . . . 0.0 111.847 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.34 -37.72 88.38 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 58.3 m -70.86 -37.76 73.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.316 0.646 . . . . 0.0 112.209 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.6 mt -67.84 -40.85 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 173.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.9 tp -147.56 107.63 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 122.647 1.213 . . . . 0.0 111.667 -176.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -76.16 38.97 0.18 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.915 2.086 . . . . 0.0 114.027 -175.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -96.06 79.48 3.22 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.225 1.81 . . . . 0.0 111.052 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -57.98 166.72 1.42 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.27 1.428 . . . . 0.0 112.744 172.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.96 -53.19 0.01 OUTLIER Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.89 1.233 . . . . 0.0 112.09 172.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 9.2 m -67.64 148.87 50.79 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.903 0.881 . . . . 0.0 109.964 161.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -61.92 143.68 56.1 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.672 0.789 . . . . 0.0 111.984 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -154.96 151.89 29.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.063 1.345 . . . . 0.0 110.772 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.27 157.49 33.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.997 0.919 . . . . 0.0 112.867 163.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 64.8 m -139.01 13.23 2.65 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.015 1.326 . . . . 0.0 113.36 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.8 t -153.34 163.24 40.27 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.253 1.421 . . . . 0.0 111.969 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 pt -129.03 10.96 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.121 1.768 . . . . 0.0 113.077 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.639 1.576 . . . . 0.0 113.16 177.035 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 119.734 -0.174 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -119.17 -8.96 10.07 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 125.07 1.348 . . . . 0.0 114.523 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -131.78 143.69 50.4 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.058 1.743 . . . . 0.0 110.843 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -141.87 147.06 36.53 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.646 1.978 . . . . 0.0 109.887 -165.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.04 157.34 26.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -164.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -137.65 125.07 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.082 1.353 . . . . 0.0 109.09 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -141.68 126.6 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.641 1.176 . . . . 0.0 111.895 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -158.25 -173.4 4.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.603 1.161 . . . . 0.0 112.13 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.93 152.51 45.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.478 1.511 . . . . 0.0 112.069 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.81 173.8 10.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.965 2.106 . . . . 0.0 110.022 172.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -81.15 157.7 25.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.952 0.901 . . . . 0.0 111.589 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.71 -49.72 74.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.073 0.949 . . . . 0.0 113.198 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.99 -42.04 94.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.429 0.692 . . . . 0.0 111.632 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.31 -48.0 81.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.406 1.082 . . . . 0.0 112.242 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.06 -39.77 94.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.029 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.74 -45.27 92.69 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.668 1.122 . . . . 0.0 112.997 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.83 -52.01 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.243 0.617 . . . . 0.0 110.85 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.14 -34.24 77.19 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 112.796 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.47 -41.78 96.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.286 1.434 . . . . 0.0 112.438 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.9 ttp-105 -68.91 -45.33 71.15 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.035 0.934 . . . . 0.0 112.572 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.49 -36.09 77.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.756 0.822 . . . . 0.0 112.34 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.32 31.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.016 0.926 . . . . 0.0 111.71 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -54.88 -27.28 41.5 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 114.255 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -54.26 -25.63 24.47 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 169.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -142.58 -45.19 0.32 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.18 87.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 127.858 2.463 . . . . 0.0 109.833 -173.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.78 -18.23 11.97 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -169.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -66.08 86.8 0.1 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.629 1.572 . . . . 0.0 112.073 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.33 -41.3 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 125.302 1.441 . . . . 0.0 113.687 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -67.46 -31.48 71.68 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.015 -1.053 . . . . 0.0 113.203 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 t -75.84 -33.38 60.04 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.801 0.84 . . . . 0.0 111.614 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.65 -40.64 95.64 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.007 -1.058 . . . . 0.0 112.264 167.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.9 -43.09 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.43 -46.49 76.69 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.158 -0.964 . . . . 0.0 111.926 172.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.53 -47.58 84.99 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.893 1.277 . . . . 0.0 112.072 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -51.79 -44.9 63.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.359 1.064 . . . . 0.0 112.261 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.48 -49.17 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.737 0.815 . . . . 0.0 111.165 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.37 -12.31 13.65 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.388 1.475 . . . . 0.0 114.718 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -119.09 9.04 11.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.213 1.805 . . . . 0.0 114.13 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -137.25 -41.36 0.57 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.2 mt -86.26 -24.25 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 119.242 0.928 . . . . 0.0 110.421 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -126.45 151.46 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 127.054 2.142 . . . . 0.0 108.101 174.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -133.81 -10.21 2.72 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -146.9 97.93 2.97 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.259 1.424 . . . . 0.0 111.064 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -68.89 166.33 18.0 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.71 1.204 . . . . 0.0 111.786 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.62 22.34 1.18 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.457 1.027 . . . . 0.0 114.708 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.4 p -143.46 164.79 29.33 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.317 1.847 . . . . 0.0 111.828 -173.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.74 141.58 24.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.083 1.353 . . . . 0.0 111.476 174.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -154.95 152.11 29.31 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.966 1.306 . . . . 0.0 111.11 -176.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -126.26 7.59 7.14 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.977 1.311 . . . . 0.0 113.297 -176.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.0 m -73.88 7.88 2.32 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.641 1.976 . . . . 0.0 115.049 -176.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.3 p -63.69 -5.33 3.95 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.438 1.895 . . . . 0.0 116.0 -174.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 pt -74.34 0.58 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.966 1.706 . . . . 0.0 114.434 171.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.578 1.951 . . . . 0.0 113.98 177.886 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? . . . . . 0 N--CA 1.503 2.176 0 CA-C-O 119.626 -0.226 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -116.83 5.46 13.03 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -132.46 131.32 41.59 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.968 1.707 . . . . 0.0 109.802 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -128.26 108.06 10.29 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.367 1.467 . . . . 0.0 109.949 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -80.36 158.7 25.96 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -166.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -138.75 128.76 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.975 1.71 . . . . 0.0 108.193 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.5 119.62 6.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.052 0.941 . . . . 0.0 111.761 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -153.56 178.75 9.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.529 1.132 . . . . 0.0 113.131 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -126.38 151.03 48.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.654 1.581 . . . . 0.0 112.605 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -138.91 -174.21 3.78 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 128.758 2.823 . . . . 0.0 109.795 -177.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -101.2 158.35 16.09 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.898 1.279 . . . . 0.0 111.699 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.63 -53.53 55.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.652 0.781 . . . . 0.0 112.645 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.63 -38.33 87.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.981 0.512 . . . . 0.0 112.237 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.91 -50.13 72.08 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.487 0.715 . . . . 0.0 112.051 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -63.39 -36.97 85.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.595 0.634 . . . . 0.0 112.29 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.9 -50.58 72.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.588 1.555 . . . . 0.0 111.657 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -59.78 -44.43 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 121.324 -0.86 . . . . 0.0 111.686 174.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.06 -39.24 77.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.93 0.786 . . . . 0.0 111.579 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 117.453 -1.26 . . . . 0.0 112.831 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -63.5 -49.55 73.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 121.081 1.764 . . . . 0.0 111.834 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.41 -33.06 74.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.393 0.677 . . . . 0.0 112.181 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -53.22 32.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.564 0.745 . . . . 0.0 111.739 168.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -22.83 52.43 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.439 1.896 . . . . 0.0 114.269 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -50.77 -23.38 2.68 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 164.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.61 -44.85 0.54 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.422 1.489 . . . . 0.0 114.073 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -167.93 108.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 128.023 2.529 . . . . 0.0 108.521 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.32 -12.77 9.97 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -167.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -58.09 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.326 1.851 . . . . 0.0 113.048 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.78 -42.1 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.399 1.08 . . . . 0.0 112.992 -167.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.9 -44.31 73.45 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 79.4 p -72.2 -31.22 65.68 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.108 0.867 . . . . 0.0 112.203 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -58.34 -49.27 77.81 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.787 0.835 . . . . 0.0 112.114 166.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.73 -44.34 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.47 -0.769 . . . . 0.0 111.401 175.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -53.73 -49.93 67.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.259 0.936 . . . . 0.0 111.839 172.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -62.25 -42.22 99.13 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.009 1.324 . . . . 0.0 112.575 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -57.1 -49.37 76.09 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.868 0.867 . . . . 0.0 112.329 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.13 -48.83 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.076 0.951 . . . . 0.0 110.76 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.44 -53.92 44.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.881 1.273 . . . . 0.0 111.606 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.53 -30.09 71.26 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.41 1.484 . . . . 0.0 113.724 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.2 m -73.11 -41.83 63.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.203 0.601 . . . . 0.0 111.756 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.3 mt -85.31 -37.17 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.11 0.564 . . . . 0.0 112.054 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 47.3 pt -141.84 173.3 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.629 1.572 . . . . 0.0 111.884 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -125.08 25.76 7.16 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.232 1.413 . . . . 0.0 112.584 -173.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -72.89 68.03 0.87 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.866 2.066 . . . . 0.0 112.46 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -70.89 53.27 0.16 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.411 2.284 . . . . 0.0 112.31 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.17 54.59 0.11 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.88 1.705 . . . . 0.0 111.934 -168.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -139.51 175.44 9.57 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.378 1.471 . . . . 0.0 112.066 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -61.2 150.61 33.93 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.223 1.409 . . . . 0.0 113.485 -174.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -143.61 167.76 21.48 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.283 1.833 . . . . 0.0 111.113 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -140.26 158.11 44.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.46 1.504 . . . . 0.0 111.713 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 30.3 m -135.64 15.61 3.38 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.628 1.171 . . . . 0.0 113.672 -170.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.2 t -63.33 148.51 48.14 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.162 0.985 . . . . 0.0 112.602 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 40.5 pt -142.61 162.82 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.331 1.852 . . . . 0.0 111.839 -177.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.298 1.439 . . . . 0.0 113.632 174.512 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -74.01 -23.16 59.39 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -170.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -69.38 113.9 7.13 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.689 1.596 . . . . 0.0 111.23 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -120.33 110.09 16.13 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.544 1.937 . . . . 0.0 109.519 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 p -74.98 156.89 35.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -138.04 132.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.383 1.473 . . . . 0.0 108.733 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -154.88 126.26 7.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.471 1.108 . . . . 0.0 110.652 -172.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -158.77 162.01 37.04 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.935 0.894 . . . . 0.0 112.798 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.67 140.96 29.05 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 112.379 170.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.0 mt -117.75 -178.51 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.939 2.096 . . . . 0.0 109.385 161.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -121.63 174.58 6.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.138 1.775 . . . . 0.0 111.677 172.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.01 -49.59 73.26 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.82 1.648 . . . . 0.0 113.184 -162.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.25 -55.72 25.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.822 0.737 . . . . 0.0 112.536 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 pm0 -63.39 -39.2 93.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.495 -0.753 . . . . 0.0 112.317 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.59 -42.22 91.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.684 0.674 . . . . 0.0 111.529 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.08 -39.27 92.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.067 0.849 . . . . 0.0 112.852 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -47.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.183 0.901 . . . . 0.0 110.876 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.51 -47.31 86.03 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.057 0.844 . . . . 0.0 111.955 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -54.34 -48.17 71.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.224 1.81 . . . . 0.0 112.358 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -67.59 -49.49 62.89 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.223 1.409 . . . . 0.0 112.107 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.77 -30.55 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.14 0.576 . . . . 0.0 112.236 177.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.38 16.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.667 0.667 . . . . 0.0 111.284 167.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.83 -30.04 60.77 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.233 1.413 . . . . 0.0 114.37 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.51 -17.85 24.57 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -142.13 -50.39 0.39 Allowed 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.168 1.349 . . . . 0.0 114.545 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -148.86 95.19 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.496 2.318 . . . . 0.0 108.149 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.02 -8.06 4.77 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -171.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.4 t -65.54 84.63 0.07 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.39 . . . . 0.0 111.733 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 t -56.18 -39.66 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.523 1.129 . . . . 0.0 112.73 -171.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -63.91 -40.94 97.66 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.039 -1.038 . . . . 0.0 113.271 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.6 t -66.87 -44.29 81.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.197 0.999 . . . . 0.0 111.368 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -57.45 -46.94 83.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.366 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.64 -42.24 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.186 0.994 . . . . 0.0 111.418 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.34 -48.15 79.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.33 0.968 . . . . 0.0 111.952 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -64.5 -39.56 94.01 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -56.13 -48.63 75.87 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.559 1.144 . . . . 0.0 111.786 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.91 -45.29 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 124.401 1.081 . . . . 0.0 111.338 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.47 -53.25 54.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.248 0.619 . . . . 0.0 111.595 172.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -61.14 -49.09 78.64 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.26 1.024 . . . . 0.0 112.646 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.7 p -69.95 -30.26 67.59 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.5 mt -71.49 -43.7 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.312 0.96 . . . . 0.0 111.13 169.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.0 tt -149.13 118.05 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 122.548 1.166 . . . . 0.0 112.952 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -87.91 1.4 54.13 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.119 1.368 . . . . 0.0 114.068 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -71.58 70.03 0.65 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.896 2.078 . . . . 0.0 111.479 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.5 161.07 2.83 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.162 1.785 . . . . 0.0 114.056 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.82 -26.76 0.29 Allowed Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.698 1.142 . . . . 0.0 114.223 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -138.54 151.37 47.26 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.898 1.679 . . . . 0.0 110.014 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -144.81 156.77 44.21 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.568 1.547 . . . . 0.0 111.442 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -145.19 139.72 27.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.888 1.275 . . . . 0.0 111.035 172.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -129.22 173.73 10.23 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.48 1.912 . . . . 0.0 111.091 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -156.91 107.01 2.28 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.551 1.54 . . . . 0.0 108.658 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.4 p -54.31 152.0 6.83 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.408 1.483 . . . . 0.0 113.963 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.3 mm -66.34 137.5 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.396 1.079 . . . . 0.0 111.127 -173.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.201 1.4 . . . . 0.0 113.399 178.624 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.76 161.54 30.7 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 119.384 0.993 . . . . 0.0 111.685 173.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -141.51 152.76 44.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.542 1.937 . . . . 0.0 109.66 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -132.32 76.7 1.71 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.547 1.139 . . . . 0.0 111.871 -165.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -66.1 150.18 49.13 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.253 -0.904 . . . . 0.0 113.436 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.29 133.61 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.607 2.363 . . . . 0.0 108.81 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.0 p -142.72 140.84 31.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.673 1.189 . . . . 0.0 112.634 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -168.68 -167.33 0.76 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.433 1.893 . . . . 0.0 111.221 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -128.26 153.45 46.95 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.478 1.511 . . . . 0.0 112.452 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 99.6 mt -130.32 179.7 5.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.9 2.08 . . . . 0.0 109.74 168.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.3 m -89.26 149.97 22.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.868 0.867 . . . . 0.0 111.562 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -44.82 -54.24 6.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.016 1.726 . . . . 0.0 114.869 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -71.75 -36.39 70.41 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -61.27 -47.23 86.95 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.694 0.798 . . . . 0.0 111.439 170.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -61.99 -37.9 86.58 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.183 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.39 -40.04 95.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.991 0.916 . . . . 0.0 113.433 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.43 -45.92 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.097 -1.002 . . . . 0.0 110.674 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.9 -31.59 72.62 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.122 0.873 . . . . 0.0 113.348 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -58.89 -50.68 73.11 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.075 1.307 . . . . 0.0 111.037 168.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.04 -48.57 81.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.943 0.792 . . . . 0.0 112.601 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.51 -36.58 84.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.484 0.714 . . . . 0.0 112.504 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.69 73.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.752 0.706 . . . . 0.0 111.973 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -57.06 -29.77 63.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.647 1.112 . . . . 0.0 113.021 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.49 -29.37 70.49 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -153.19 2.12 0.28 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 -168.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -144.7 -37.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.861 1.665 . . . . 0.0 113.093 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 69.8 4.37 4.72 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.098 2.159 . . . . 0.0 115.25 -174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.3 m -144.12 115.24 7.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.368 1.467 . . . . 0.0 111.462 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.39 -37.96 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.589 0.756 . . . . 0.0 112.861 -172.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -56.2 -51.25 68.73 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.054 0.843 . . . . 0.0 112.4 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -70.99 -30.61 66.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.861 0.865 . . . . 0.0 112.222 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.54 -45.47 86.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 120.99 -1.069 . . . . 0.0 112.827 171.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.75 -38.37 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.262 -0.899 . . . . 0.0 110.856 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.89 -52.88 55.9 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.078 0.854 . . . . 0.0 111.828 166.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.2 -48.2 76.86 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.219 1.008 . . . . 0.0 112.067 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -54.45 -42.99 71.24 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.286 1.434 . . . . 0.0 112.943 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.46 -51.3 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.038 0.935 . . . . 0.0 110.821 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.12 -36.01 76.52 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.18 -8.01 35.01 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.908 1.448 . . . . 0.0 114.908 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.1 m -124.27 -39.28 2.35 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.545 1.138 . . . . 0.0 112.503 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 38.4 mm -78.17 -23.03 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.865 1.266 . . . . 0.0 112.742 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 34.6 mm -129.98 145.16 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.928 1.691 . . . . 0.0 109.029 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -147.7 82.15 1.51 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.484 1.113 . . . . 0.0 110.381 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -130.33 33.63 4.29 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.579 1.552 . . . . 0.0 112.278 -167.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -57.87 159.71 5.24 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.85 1.66 . . . . 0.0 113.741 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.48 -19.29 1.68 Allowed Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.566 1.079 . . . . 0.0 115.31 172.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 22.2 p -65.91 153.35 42.28 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.916 1.286 . . . . 0.0 113.504 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -76.52 167.34 22.02 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.333 1.053 . . . . 0.0 112.336 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -145.93 144.41 30.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.343 1.457 . . . . 0.0 110.707 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -151.8 155.43 38.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.67 1.588 . . . . 0.0 110.492 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -63.37 0.64 0.64 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 -173.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.3 m -125.68 7.28 7.51 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.373 1.869 . . . . 0.0 113.388 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 51.0 mm -73.57 118.07 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.322 -0.861 . . . . 0.0 109.1 168.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.7 m120 . . . . . 0 C--O 1.255 1.381 0 C-N-CA 126.069 1.747 . . . . 0.0 111.646 -177.218 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 119.77 -0.157 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -128.13 159.41 35.21 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.727 1.611 . . . . 0.0 111.36 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -140.09 134.98 32.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.793 1.637 . . . . 0.0 109.937 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -130.64 113.25 13.96 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.287 1.435 . . . . 0.0 110.198 -172.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 p -88.5 159.92 17.73 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -168.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -138.08 124.4 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.339 1.455 . . . . 0.0 108.561 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.3 p -142.98 129.87 20.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.803 1.241 . . . . 0.0 111.755 -174.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -159.23 -175.41 5.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.805 1.242 . . . . 0.0 111.898 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -125.3 155.69 39.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.245 1.418 . . . . 0.0 112.443 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt -133.85 169.43 17.08 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.656 2.382 . . . . 0.0 109.926 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -78.31 159.73 28.26 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.485 0.714 . . . . 0.0 111.414 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -59.42 -51.41 70.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.636 1.174 . . . . 0.0 113.038 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.38 -39.67 81.68 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.893 0.477 . . . . 0.0 111.813 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.21 -50.8 72.28 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.217 1.407 . . . . 0.0 112.026 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.94 -41.87 99.63 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.377 0.671 . . . . 0.0 111.673 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.7 -38.07 89.74 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.4 -47.35 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 110.973 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.38 -37.31 85.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.21 0.914 . . . . 0.0 112.538 173.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.61 -48.38 81.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.874 1.27 . . . . 0.0 111.653 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.54 -47.01 88.05 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.403 1.002 . . . . 0.0 111.714 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.0 -34.76 76.78 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.758 0.823 . . . . 0.0 112.659 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.98 -43.09 55.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 112.968 171.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -55.8 -36.82 67.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.51 1.524 . . . . 0.0 112.139 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.46 -21.6 64.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -154.36 -12.89 0.13 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 118.237 2.681 . . . . 0.0 118.237 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -133.97 -21.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.417 1.487 . . . . 0.0 113.36 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 70.77 3.35 4.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.846 1.658 . . . . 0.0 114.842 173.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 t -151.69 125.2 8.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.3 1.44 . . . . 0.0 111.426 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.76 -45.47 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.884 0.873 . . . . 0.0 111.662 -175.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.04 -35.14 76.26 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.399 -0.813 . . . . 0.0 112.327 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -65.08 -45.34 85.68 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.687 0.676 . . . . 0.0 111.375 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.57 -45.1 85.59 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.312 1.045 . . . . 0.0 112.514 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.94 -49.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.566 0.746 . . . . 0.0 111.814 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -55.46 -48.19 74.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.233 0.924 . . . . 0.0 111.978 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -58.93 -44.79 91.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.965 1.306 . . . . 0.0 112.203 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -56.91 -46.76 81.76 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.02 0.928 . . . . 0.0 112.704 174.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.085 0.554 . . . . 0.0 110.402 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.69 -54.13 50.35 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.549 0.613 . . . . 0.0 111.61 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -42.44 49.74 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.315 1.446 . . . . 0.0 113.14 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 m -87.02 -33.41 19.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mm -88.39 -57.79 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.878 0.871 . . . . 0.0 111.318 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.4 tp -165.3 124.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.285 1.434 . . . . 0.0 111.733 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -148.56 105.6 3.61 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.324 1.05 . . . . 0.0 110.875 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -149.68 122.93 8.95 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 127.342 2.257 . . . . 0.0 108.309 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -128.79 146.88 50.79 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.491 1.917 . . . . 0.0 111.869 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.54 22.18 0.03 OUTLIER Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.738 1.161 . . . . 0.0 114.825 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.5 m -66.93 148.91 51.34 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.78 1.632 . . . . 0.0 112.236 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -125.28 7.68 7.81 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.794 1.238 . . . . 0.0 114.018 -174.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.09 144.83 56.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.677 1.191 . . . . 0.0 111.986 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.49 -6.06 28.12 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.4 t -152.19 100.02 2.58 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.611 1.964 . . . . 0.0 108.584 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -145.2 -176.12 4.97 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.603 1.561 . . . . 0.0 112.221 -174.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.1 tt -140.95 159.66 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 126.582 1.953 . . . . 0.0 111.166 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 125.925 1.69 . . . . 0.0 111.837 -173.635 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 110.886 -0.042 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -140.01 158.92 43.3 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 126.359 1.864 . . . . 0.0 111.028 175.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -150.19 125.72 10.25 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.696 1.598 . . . . 0.0 110.882 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.35 109.2 10.57 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.124 1.77 . . . . 0.0 109.517 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 52.3 p -81.05 158.98 24.91 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -167.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -135.44 131.95 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.794 1.638 . . . . 0.0 108.077 174.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -151.72 128.04 10.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.212 1.005 . . . . 0.0 111.797 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -159.11 179.62 8.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.034 1.334 . . . . 0.0 112.597 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -127.93 147.11 50.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.606 1.562 . . . . 0.0 112.225 -177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.65 172.95 11.86 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.226 2.21 . . . . 0.0 110.731 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -81.05 157.85 25.29 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.605 1.162 . . . . 0.0 111.13 174.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -57.12 -48.39 78.77 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.618 0.767 . . . . 0.0 112.943 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.11 -36.5 82.05 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -62.84 -50.89 69.17 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.419 0.688 . . . . 0.0 110.745 174.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -63.33 -37.43 87.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.18 -41.87 99.27 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.24 0.927 . . . . 0.0 113.008 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.03 -49.38 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.675 -0.641 . . . . 0.0 111.001 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.33 -44.17 88.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.634 0.652 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.99 -43.66 95.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.976 1.311 . . . . 0.0 112.279 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.26 -51.59 62.84 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.293 0.951 . . . . 0.0 111.903 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -36.89 79.98 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.476 0.71 . . . . 0.0 111.665 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -60.9 2.48 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.685 1.194 . . . . 0.0 111.673 170.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.48 -20.98 34.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.603 1.561 . . . . 0.0 114.664 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -48.59 -28.04 3.18 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 164.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.58 -21.59 0.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -147.71 94.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 127.876 2.471 . . . . 0.0 108.394 -173.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.4 -35.32 38.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.708 1.203 . . . . 0.0 114.048 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -70.43 88.37 0.66 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.695 1.598 . . . . 0.0 112.639 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 t -51.01 -41.04 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.503 1.521 . . . . 0.0 113.069 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -67.67 -37.13 81.93 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -68.95 -39.69 79.39 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.93 0.892 . . . . 0.0 111.478 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -57.24 -44.39 83.78 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.58 -0.7 . . . . 0.0 112.114 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -45.25 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.288 -0.882 . . . . 0.0 111.994 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -53.76 -46.82 71.07 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.319 0.963 . . . . 0.0 111.823 173.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -62.49 -45.32 93.55 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.052 1.341 . . . . 0.0 112.563 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.26 -35.44 69.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.473 1.509 . . . . 0.0 113.367 175.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.43 -47.5 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.806 0.842 . . . . 0.0 110.622 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.54 -30.4 68.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.809 0.843 . . . . 0.0 112.975 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -64.92 78.04 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.444 1.897 . . . . 0.0 112.992 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.6 28.21 5.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.408 1.483 . . . . 0.0 114.785 159.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.425 HG23 HG23 ' B' ' 62' ' ' ILE . 9.4 tt -67.28 -17.7 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.578 -1.326 . . . . 0.0 112.424 162.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.425 HG23 HG23 ' B' ' 61' ' ' ILE . 32.0 pt -120.04 163.42 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 127.378 2.271 . . . . 0.0 110.312 175.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -142.7 125.8 16.35 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.856 1.663 . . . . 0.0 110.626 -176.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -155.43 108.68 2.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.255 1.822 . . . . 0.0 109.959 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -59.56 151.53 24.24 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.429 1.092 . . . . 0.0 112.878 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.51 -166.91 32.91 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.789 1.185 . . . . 0.0 113.34 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -146.72 159.85 42.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.901 1.281 . . . . 0.0 111.607 171.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -157.26 167.94 28.85 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.885 1.674 . . . . 0.0 111.396 -175.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -138.47 147.46 43.24 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.059 1.744 . . . . 0.0 110.433 173.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -153.81 160.4 42.21 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.931 1.292 . . . . 0.0 111.981 -176.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 87.8 p -145.77 2.28 0.92 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.884 1.674 . . . . 0.0 114.609 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 74.7 m -69.01 160.34 31.13 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.499 1.12 . . . . 0.0 112.79 175.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.5 tt -138.48 13.2 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 124.819 1.248 . . . . 0.0 113.259 -174.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.629 1.572 . . . . 0.0 113.548 175.422 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 118.853 -0.594 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 42.67 41.69 2.54 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 127.702 2.401 . . . . 0.0 115.459 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -137.01 115.65 12.04 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.541 1.536 . . . . 0.0 109.715 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -126.87 110.55 13.17 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.578 1.951 . . . . 0.0 109.312 -173.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.7 p -80.62 157.21 26.05 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -166.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.22 131.38 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.746 1.618 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -143.59 136.52 27.58 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.724 1.21 . . . . 0.0 111.442 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -165.28 -170.67 1.95 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.099 1.36 . . . . 0.0 112.199 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -126.98 151.32 48.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.009 1.724 . . . . 0.0 112.599 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -130.45 170.83 13.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.116 2.166 . . . . 0.0 110.672 173.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -82.15 162.13 22.57 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.193 0.997 . . . . 0.0 112.557 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -56.28 -58.76 6.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.79 1.236 . . . . 0.0 113.344 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.21 -35.97 71.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.406 0.682 . . . . 0.0 111.887 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.48 -53.7 54.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.69 1.196 . . . . 0.0 111.779 173.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.42 -43.22 95.06 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.83 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.57 -40.23 93.99 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.22 -47.7 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.948 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.02 -39.13 88.6 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.331 0.969 . . . . 0.0 112.257 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -42.13 96.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.522 1.529 . . . . 0.0 112.751 172.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.5 -49.64 68.24 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.448 1.022 . . . . 0.0 111.79 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.6 -33.35 74.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.11 0.964 . . . . 0.0 112.332 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -60.72 2.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.612 0.765 . . . . 0.0 111.208 168.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -54.23 -27.53 35.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.369 1.468 . . . . 0.0 114.783 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.55 -26.56 32.87 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -141.54 -35.65 0.45 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.94 91.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 128.301 2.641 . . . . 0.0 109.557 -173.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.66 50.44 0.05 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 127.453 2.301 . . . . 0.0 116.483 -177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -145.85 95.51 2.65 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.928 2.491 . . . . 0.0 109.814 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -59.82 -40.99 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.729 0.812 . . . . 0.0 111.695 -173.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -64.31 -40.17 95.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.576 -0.703 . . . . 0.0 112.707 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -64.61 -45.9 84.95 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.741 0.701 . . . . 0.0 111.351 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -59.43 -45.35 91.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.042 0.937 . . . . 0.0 113.056 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.43 -47.79 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.426 -0.796 . . . . 0.0 111.37 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -53.15 -46.31 68.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.708 0.803 . . . . 0.0 111.775 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -62.23 -45.39 93.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.197 1.799 . . . . 0.0 112.469 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.01 -49.44 71.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.692 1.197 . . . . 0.0 112.221 173.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' B' ' 57' ' ' ILE . 57.5 mt -62.92 -50.96 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.727 0.811 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.35 -53.85 53.49 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.793 1.237 . . . . 0.0 111.893 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.27 -29.1 70.49 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.8 m -71.93 -42.81 66.22 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.272 0.487 . . . . 0.0 111.606 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt -71.12 -40.38 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.71 0.804 . . . . 0.0 112.146 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -153.58 147.73 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.871 1.269 . . . . 0.0 111.455 -174.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.79 24.45 5.71 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.186 0.994 . . . . 0.0 113.085 -172.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -76.37 73.1 3.14 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.817 2.047 . . . . 0.0 111.299 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.76 159.74 2.13 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.09 1.756 . . . . 0.0 113.004 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.22 -131.63 1.31 Allowed Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.939 1.257 . . . . 0.0 112.458 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 p -61.52 -27.87 68.9 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.402 1.081 . . . . 0.0 113.713 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 51.59 34.54 12.72 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.002 2.121 . . . . 0.0 113.495 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -87.85 -5.55 58.54 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -166.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 53.98 30.03 11.06 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.946 1.698 . . . . 0.0 114.48 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 m -72.4 42.98 0.1 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.896 2.079 . . . . 0.0 114.136 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -138.55 168.0 20.71 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.998 1.719 . . . . 0.0 112.68 -168.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.61 142.53 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.895 1.278 . . . . 0.0 112.757 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t30 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.22 1.808 . . . . 0.0 111.52 -173.744 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 111.145 0.054 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -135.34 163.57 29.71 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.682 1.993 . . . . 0.0 110.982 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -139.75 150.69 45.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.006 1.723 . . . . 0.0 110.198 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -119.34 106.23 12.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.803 1.641 . . . . 0.0 109.938 -173.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 24.5 p -78.67 158.65 28.32 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.98 132.32 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.294 1.437 . . . . 0.0 109.427 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.0 p -143.9 135.2 25.77 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 111.307 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -162.84 -175.12 4.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.778 1.231 . . . . 0.0 112.462 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.53 152.3 37.2 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.853 1.661 . . . . 0.0 112.275 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.26 171.63 12.28 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.248 2.219 . . . . 0.0 110.054 171.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -77.42 161.44 27.98 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.137 0.575 . . . . 0.0 111.744 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.96 -54.13 48.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.103 . . . . 0.0 112.762 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -33.82 73.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.859 0.463 . . . . 0.0 112.031 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.62 -53.61 55.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.244 1.417 . . . . 0.0 111.855 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -60.64 -40.9 93.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.639 -0.663 . . . . 0.0 111.738 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.64 -45.8 91.14 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.74 -37.52 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.291 0.95 . . . . 0.0 112.165 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.05 -38.9 92.75 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.372 0.987 . . . . 0.0 111.682 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttp-105 -63.21 -40.47 97.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.853 0.861 . . . . 0.0 111.961 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -62.73 -46.52 87.7 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.838 1.199 . . . . 0.0 112.197 174.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.81 -33.16 73.63 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.969 0.908 . . . . 0.0 112.389 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.8 20.63 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.579 0.752 . . . . 0.0 111.729 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -55.54 -22.68 22.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.025 2.13 . . . . 0.0 114.921 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -49.19 -23.09 1.17 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.52 -39.16 0.22 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -157.19 101.65 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.783 2.433 . . . . 0.0 109.423 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.03 78.68 0.49 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 123.099 1.428 . . . . 0.0 113.423 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -147.95 82.74 1.51 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.403 1.881 . . . . 0.0 111.659 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 m -51.3 -36.93 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -58.83 -53.02 63.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.694 0.798 . . . . 0.0 112.208 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -45.7 83.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.182 0.993 . . . . 0.0 111.703 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.62 -48.9 79.87 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.023 0.929 . . . . 0.0 112.638 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.61 -41.55 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.669 -0.644 . . . . 0.0 111.433 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -56.77 -45.16 82.27 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.665 1.12 . . . . 0.0 112.087 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -64.04 -43.11 96.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.793 1.237 . . . . 0.0 112.646 174.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -54.36 -49.61 69.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 111.955 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 57' ' ' ILE . 61.9 mt -63.28 -49.95 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.994 0.917 . . . . 0.0 110.661 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -53.92 -56.23 19.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.353 0.661 . . . . 0.0 111.118 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.99 -39.51 92.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.133 . . . . 0.0 113.464 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -72.25 -28.02 62.88 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt -75.33 -47.09 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.868 0.867 . . . . 0.0 111.194 170.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -156.24 143.48 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.89 1.276 . . . . 0.0 112.124 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -136.48 78.61 1.72 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.093 0.957 . . . . 0.0 110.762 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -138.74 94.52 2.84 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.448 1.899 . . . . 0.0 108.98 -174.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -58.04 159.2 5.93 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.475 1.51 . . . . 0.0 114.203 -176.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.9 0.94 45.54 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.992 1.282 . . . . 0.0 114.789 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 17.6 p -65.76 -24.79 67.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.542 1.537 . . . . 0.0 114.51 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -144.08 147.76 34.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.621 1.568 . . . . 0.0 111.544 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -155.37 145.99 22.16 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.663 1.585 . . . . 0.0 110.718 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.0 t70 50.71 34.11 9.41 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.046 1.738 . . . . 0.0 114.852 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.0 t -152.89 93.43 1.75 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.643 1.577 . . . . 0.0 109.834 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.3 m -140.62 168.25 20.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.652 1.581 . . . . 0.0 112.23 -170.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.3 tt -130.62 12.11 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.996 1.318 . . . . 0.0 113.457 -173.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.3 t30 . . . . . 0 C--O 1.255 1.379 0 C-N-CA 125.681 1.592 . . . . 0.0 113.075 175.501 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? . . . . . 0 N--CA 1.497 1.876 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.6 mtt85 -74.18 154.98 38.83 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.372 1.069 . . . . 0.0 112.36 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -144.91 142.85 30.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.088 1.755 . . . . 0.0 109.965 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -127.49 105.63 8.63 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.277 1.431 . . . . 0.0 110.238 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.2 p -77.73 156.73 30.43 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -140.45 134.21 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.503 1.521 . . . . 0.0 108.857 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.98 119.51 5.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.052 0.941 . . . . 0.0 110.642 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -156.3 156.53 34.15 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 25' ' ' SER . 7.6 m-85 -82.51 147.04 28.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.412 1.085 . . . . 0.0 112.963 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.35 170.34 13.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.963 2.105 . . . . 0.0 110.693 170.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -81.3 163.16 23.13 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.955 0.902 . . . . 0.0 112.267 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -59.8 -58.85 6.79 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.789 0.836 . . . . 0.0 112.92 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.56 -34.61 77.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.371 0.668 . . . . 0.0 112.083 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.74 -52.56 64.94 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -63.71 -38.7 92.1 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.409 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.21 -46.31 86.08 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.669 1.122 . . . . 0.0 112.522 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.05 -48.67 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.926 0.89 . . . . 0.0 110.985 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.44 -37.33 77.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.908 0.777 . . . . 0.0 112.19 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -64.58 -44.99 88.94 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.664 1.186 . . . . 0.0 112.119 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.32 79.82 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 112.153 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -33.46 74.71 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.73 -49.43 62.63 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.709 0.686 . . . . 0.0 111.936 169.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.39 -29.06 63.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.404 1.082 . . . . 0.0 113.336 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -27.1 68.53 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.39 -11.3 0.1 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 118.222 2.675 . . . . 0.0 118.222 -167.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -134.48 -25.56 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.72 1.608 . . . . 0.0 113.177 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 69.21 6.32 5.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.532 1.933 . . . . 0.0 115.636 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 t -150.37 136.15 18.33 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.974 -1.079 . . . . 0.0 112.458 168.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.74 -41.08 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.574 0.75 . . . . 0.0 112.444 -167.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -73.4 -37.13 66.06 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.214 0.915 . . . . 0.0 113.119 -175.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 p -71.32 -36.55 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.071 0.85 . . . . 0.0 111.899 171.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.8 -49.0 78.1 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.822 0.737 . . . . 0.0 112.103 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.21 -40.31 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.82 0.848 . . . . 0.0 111.741 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.13 -52.59 62.8 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.74 1.155 . . . . 0.0 111.865 171.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -63.31 -39.92 95.9 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.13 0.972 . . . . 0.0 112.664 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -56.93 -50.64 71.97 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.916 1.287 . . . . 0.0 111.929 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.435 HG12 HD11 ' B' ' 57' ' ' ILE . 74.5 mt -65.27 -44.41 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 111.231 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 tp -53.89 -57.9 9.24 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.654 0.781 . . . . 0.0 110.402 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.42 -34.46 73.99 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.416 1.086 . . . . 0.0 113.586 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -69.37 -26.0 64.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.12 0.968 . . . . 0.0 113.494 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.21 -21.05 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 119.53 1.059 . . . . 0.0 113.372 -176.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.9 mt -138.45 149.51 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 126.231 1.812 . . . . 0.0 109.278 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -148.38 143.84 27.09 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.105 -0.997 . . . . 0.0 111.161 170.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -159.99 127.43 4.59 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.56 2.344 . . . . 0.0 108.815 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -124.54 12.13 8.64 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.92 -42.03 6.13 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.994 1.283 . . . . 0.0 112.812 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -142.61 138.74 30.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.462 1.905 . . . . 0.0 110.086 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -147.83 157.13 43.38 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.374 1.47 . . . . 0.0 110.864 -176.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -154.88 170.0 22.71 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.618 1.167 . . . . 0.0 113.027 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -149.53 155.43 40.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.885 1.674 . . . . 0.0 111.141 173.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -156.71 101.66 1.99 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.856 1.262 . . . . 0.0 110.226 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t -147.88 166.15 28.51 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.428 1.491 . . . . 0.0 111.992 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.21 133.51 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 125.252 1.421 . . . . 0.0 110.426 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.361 1.465 . . . . 0.0 113.557 178.435 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt . . . . . 0 N--CA 1.497 1.907 0 CA-C-O 119.967 -0.064 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -147.34 147.54 30.43 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.567 1.547 . . . . 0.0 111.53 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -137.85 163.06 32.38 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.04 2.136 . . . . 0.0 109.281 172.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -125.22 99.92 6.3 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.254 1.422 . . . . 0.0 110.612 -171.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 15.9 t -79.45 152.38 30.32 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -132.97 130.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.674 1.99 . . . . 0.0 108.415 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -139.05 128.0 23.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.619 1.168 . . . . 0.0 111.856 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -161.81 -172.57 3.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.207 -170.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -131.12 150.49 52.12 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.711 1.604 . . . . 0.0 112.069 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.31 177.62 7.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.14 2.176 . . . . 0.0 110.029 171.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.3 m -87.78 158.23 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.576 1.15 . . . . 0.0 111.911 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -53.8 -54.25 40.95 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.43 1.092 . . . . 0.0 113.49 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.54 -38.31 84.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.778 0.431 . . . . 0.0 112.064 -175.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.68 -51.33 69.85 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.87 0.868 . . . . 0.0 111.775 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -62.41 -39.28 92.74 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.199 0.599 . . . . 0.0 112.021 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.76 -39.97 91.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.93 -45.62 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.203 0.91 . . . . 0.0 110.927 172.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.65 -39.88 89.96 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.692 -0.63 . . . . 0.0 111.577 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -61.68 -36.95 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.251 1.02 . . . . 0.0 112.739 171.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -63.98 -52.1 61.2 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.714 1.143 . . . . 0.0 111.595 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.14 -29.0 70.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.493 0.717 . . . . 0.0 112.416 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.65 41.72 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.519 0.728 . . . . 0.0 111.749 166.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.63 -20.18 54.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.502 1.921 . . . . 0.0 114.464 -178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -50.17 -19.77 0.85 Allowed 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 161.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -148.77 -39.3 0.16 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.64 107.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 127.288 2.235 . . . . 0.0 109.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.42 -9.48 34.38 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -164.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 p -58.54 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.687 1.595 . . . . 0.0 113.575 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.88 -45.41 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.713 1.205 . . . . 0.0 113.126 -164.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -64.36 -43.84 93.26 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -65.91 -40.3 91.37 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.956 0.902 . . . . 0.0 112.13 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -58.74 -50.51 73.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.075 0.95 . . . . 0.0 112.091 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.68 -42.4 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.926 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -54.56 -52.21 62.82 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.839 1.2 . . . . 0.0 111.504 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.07 -47.49 85.66 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.479 1.112 . . . . 0.0 112.452 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -57.5 -45.43 84.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.212 1.405 . . . . 0.0 112.385 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 57' ' ' ILE . 19.3 mm -75.48 -40.61 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.288 1.035 . . . . 0.0 111.417 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.51 -51.83 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.074 0.852 . . . . 0.0 110.729 170.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.54 -49.22 73.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.832 0.853 . . . . 0.0 112.489 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -63.17 -39.28 94.19 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.006 0.922 . . . . 0.0 112.836 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 21.6 mm -77.05 -37.66 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.536 1.134 . . . . 0.0 112.014 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.7 tp -147.36 101.45 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 123.204 1.478 . . . . 0.0 112.156 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -77.3 56.52 1.35 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.531 1.933 . . . . 0.0 112.501 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -139.86 97.66 3.3 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.359 1.463 . . . . 0.0 111.416 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.5 169.44 4.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.593 1.557 . . . . 0.0 112.276 171.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.81 175.3 45.23 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.715 1.15 . . . . 0.0 113.311 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.0 m -54.2 -28.26 39.58 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.338 1.855 . . . . 0.0 114.952 -169.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -120.7 10.79 11.08 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.929 1.292 . . . . 0.0 113.34 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -7.04 59.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.127 0.971 . . . . 0.0 113.279 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.63 153.0 43.06 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.182 1.793 . . . . 0.0 111.339 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 80.3 p -147.4 10.65 0.98 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.763 1.225 . . . . 0.0 114.277 -176.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 25.5 m -59.06 145.49 41.89 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.435 1.494 . . . . 0.0 113.596 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tp -142.07 10.96 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.787 1.235 . . . . 0.0 113.4 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.378 1.471 . . . . 0.0 112.887 177.863 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 121.055 0.455 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -118.5 102.14 8.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.587 1.555 . . . . 0.0 109.557 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 p -74.33 160.43 31.07 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.0 t -138.57 134.75 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.575 1.55 . . . . 0.0 108.596 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 t -153.49 125.55 7.9 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -157.97 -179.47 8.17 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 0.0 112.974 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -126.13 154.81 42.62 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.073 1.749 . . . . 0.0 112.725 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -143.87 170.45 15.87 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.188 2.595 . . . . 0.0 111.046 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 m -78.8 161.48 26.78 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.766 1.226 . . . . 0.0 111.939 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -54.5 -53.15 58.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.092 0.957 . . . . 0.0 112.305 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -68.35 -38.27 81.29 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.915 1.286 . . . . 0.0 111.934 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -61.82 -49.75 75.04 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.681 0.793 . . . . 0.0 111.469 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.45 -37.9 87.69 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.029 -0.419 . . . . 0.0 112.097 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.6 -35.11 79.41 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.06 -48.46 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.453 1.024 . . . . 0.0 110.491 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.24 -41.73 93.76 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.795 0.725 . . . . 0.0 112.109 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -57.98 -47.39 83.12 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.463 1.505 . . . . 0.0 112.567 174.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -63.78 -50.61 68.31 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.127 0.876 . . . . 0.0 111.489 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.14 -35.45 77.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.373 0.669 . . . . 0.0 112.11 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -59.86 3.7 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 111.479 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.42 -27.64 49.14 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.38 -21.34 49.9 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 171.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -142.58 -42.4 0.32 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -148.01 91.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 128.28 2.632 . . . . 0.0 109.622 -171.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.55 47.72 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.977 2.511 . . . . 0.0 116.906 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -142.2 91.84 2.38 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.989 2.516 . . . . 0.0 109.369 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 -40.31 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.123 0.969 . . . . 0.0 112.506 -168.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -61.57 -46.39 90.09 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.426 -0.796 . . . . 0.0 113.057 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -65.3 -44.04 89.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.388 0.675 . . . . 0.0 111.392 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.81 -47.16 80.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.347 1.059 . . . . 0.0 112.461 173.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.23 -44.86 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.999 0.818 . . . . 0.0 111.244 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.33 -45.64 84.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.654 1.115 . . . . 0.0 111.676 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -59.79 -46.9 87.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.173 1.389 . . . . 0.0 112.511 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -55.83 -49.69 72.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.672 1.589 . . . . 0.0 111.918 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.26 -50.48 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.9 0.88 . . . . 0.0 110.437 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.0 tp -54.97 -55.89 25.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.114 0.565 . . . . 0.0 111.445 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.99 -38.64 91.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.133 0.973 . . . . 0.0 113.312 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.5 p -72.04 -27.85 62.97 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.475 0.784 0 CA-C-N 119.032 0.833 . . . . 0.0 111.189 171.231 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 121.692 0.758 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -129.44 137.53 50.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.338 1.855 . . . . 0.0 110.227 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -116.26 156.72 26.1 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -165.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.51 129.09 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.977 1.311 . . . . 0.0 109.111 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -141.58 136.07 30.7 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.737 1.215 . . . . 0.0 111.66 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.31 -172.64 3.05 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.315 1.446 . . . . 0.0 111.531 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -127.08 149.47 49.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.937 1.295 . . . . 0.0 112.936 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 79.8 mt -124.75 162.84 23.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.025 2.13 . . . . 0.0 110.359 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -78.71 159.8 27.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.456 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -52.8 -49.24 66.01 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.065 0.946 . . . . 0.0 112.61 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -71.98 -44.91 62.76 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.308 0.643 . . . . 0.0 112.464 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.73 -37.08 79.18 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.38 -0.825 . . . . 0.0 111.984 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.51 -43.9 88.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.845 -0.534 . . . . 0.0 111.615 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.48 -40.87 96.11 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.421 1.01 . . . . 0.0 113.399 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -60.41 -49.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.471 -0.768 . . . . 0.0 110.76 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.97 -31.87 73.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.005 0.82 . . . . 0.0 113.011 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -63.0 -43.69 98.09 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.605 1.093 . . . . 0.0 111.792 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.45 -48.44 77.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.559 1.072 . . . . 0.0 111.942 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.82 -36.45 79.08 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.998 0.919 . . . . 0.0 112.387 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.13 -54.05 24.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.833 0.853 . . . . 0.0 111.761 170.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.18 -27.56 46.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.673 1.589 . . . . 0.0 114.24 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -55.91 -25.83 44.71 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 170.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -142.47 -45.72 0.32 Allowed 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.94 87.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.843 2.457 . . . . 0.0 109.572 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.95 -15.59 9.38 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -66.51 91.66 0.18 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.278 1.431 . . . . 0.0 111.717 173.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 t -57.82 -42.95 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.632 1.173 . . . . 0.0 113.11 -168.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -66.37 -35.27 79.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.225 -0.922 . . . . 0.0 112.795 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -67.78 -41.6 82.98 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.698 0.681 . . . . 0.0 111.773 171.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.29 -44.2 88.39 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.169 -0.957 . . . . 0.0 112.421 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.45 -46.3 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.509 -0.745 . . . . 0.0 111.817 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -52.74 -49.66 65.01 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.125 0.875 . . . . 0.0 111.59 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -61.01 -43.13 99.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.478 1.511 . . . . 0.0 112.34 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -56.14 -48.18 76.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.491 1.116 . . . . 0.0 112.432 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.76 -50.18 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.116 0.567 . . . . 0.0 110.497 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.89 -55.23 28.72 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.389 0.676 . . . . 0.0 111.292 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.23 -36.43 70.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.236 1.015 . . . . 0.0 113.056 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -71.79 -44.15 64.48 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.457 0.703 . . . . 0.0 112.139 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 23.5 mm . . . . . 0 N--CA 1.473 0.702 0 C-N-CA 124.408 1.083 . . . . 0.0 112.768 -174.435 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 m120 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.407 0.622 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -126.75 108.43 11.05 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.532 1.933 . . . . 0.0 109.919 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 p -76.88 159.05 30.34 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -171.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.3 t -137.44 134.28 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 108.472 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -153.97 124.99 7.3 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 0.0 111.23 -172.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -157.69 179.0 9.64 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.291 1.036 . . . . 0.0 113.09 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.07 150.76 46.47 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.707 1.603 . . . . 0.0 112.783 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.06 178.95 6.79 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.13 2.572 . . . . 0.0 110.543 -174.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.1 t -88.25 156.63 19.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.926 1.29 . . . . 0.0 111.48 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -54.52 -44.5 72.81 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.594 1.158 . . . . 0.0 112.758 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.6 -42.18 95.73 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.177 0.591 . . . . 0.0 112.161 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.78 -49.32 73.41 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.826 0.85 . . . . 0.0 111.429 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -62.65 -40.19 96.25 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.614 -0.679 . . . . 0.0 111.829 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.04 -48.03 82.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.012 0.925 . . . . 0.0 113.063 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.78 -37.97 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.812 1.187 . . . . 0.0 112.28 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.03 -45.92 89.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.089 0.859 . . . . 0.0 111.262 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -62.07 -36.59 82.12 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 118.061 -0.971 . . . . 0.0 112.665 174.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.8 -51.95 62.45 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.438 1.472 . . . . 0.0 111.195 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.73 -32.61 71.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.543 0.737 . . . . 0.0 112.445 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.44 -53.61 27.46 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.443 0.697 . . . . 0.0 111.966 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.01 -25.13 63.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.608 1.963 . . . . 0.0 114.265 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -55.26 -16.44 3.32 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 166.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.91 -54.46 0.54 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.922 1.289 . . . . 0.0 113.764 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -153.25 101.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 128.122 2.569 . . . . 0.0 107.686 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.55 -13.87 16.63 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -170.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -57.77 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.591 1.956 . . . . 0.0 113.126 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.5 t -56.83 -39.2 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.647 1.179 . . . . 0.0 112.636 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -56.86 -51.64 68.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.787 0.835 . . . . 0.0 112.995 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -64.83 -46.73 80.69 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.644 1.178 . . . . 0.0 111.583 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -56.78 -49.5 75.13 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 112.338 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.79 -45.04 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.615 0.766 . . . . 0.0 111.334 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.35 -49.79 66.38 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.711 1.141 . . . . 0.0 112.121 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.71 -41.99 91.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.225 1.41 . . . . 0.0 112.627 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -56.2 -48.43 76.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.351 1.461 . . . . 0.0 112.442 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.425 HD11 HD11 ' B' ' 57' ' ' ILE . 72.4 mt -63.26 -51.39 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.957 0.903 . . . . 0.0 110.469 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.04 -54.6 36.99 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.843 . . . . 0.0 111.249 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -58.22 -44.78 88.34 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.134 0.973 . . . . 0.0 112.494 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.4 m -64.45 -39.02 93.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.111 0.565 . . . . 0.0 111.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.3 mt . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 123.576 0.75 . . . . 0.0 111.316 175.325 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 m120 . . . . . 0 CA--C 1.534 0.342 0 CA-C-O 122.242 1.02 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -141.32 148.84 40.39 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.517 2.327 . . . . 0.0 109.728 -169.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.67 157.07 30.4 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -166.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -138.36 133.37 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.956 1.303 . . . . 0.0 109.641 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p -141.89 141.73 33.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.054 1.341 . . . . 0.0 111.519 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -165.71 -172.85 2.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.751 1.62 . . . . 0.0 111.171 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -125.82 154.87 41.99 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.273 1.429 . . . . 0.0 112.224 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -132.9 175.12 9.63 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.132 2.173 . . . . 0.0 109.24 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 82.9 p -78.95 157.69 28.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 122.864 0.466 . . . . 0.0 111.506 171.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.5 -40.45 62.41 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.553 0.741 . . . . 0.0 112.403 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.86 -49.76 66.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.089 0.556 . . . . 0.0 111.677 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.37 -49.27 78.24 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 110.992 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.77 -38.2 90.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.165 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.87 -44.33 93.38 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.375 0.989 . . . . 0.0 112.87 173.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.77 -49.43 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.712 -0.617 . . . . 0.0 111.256 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -33.23 75.52 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.73 -0.606 . . . . 0.0 112.619 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -63.17 -47.09 84.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.509 1.049 . . . . 0.0 111.744 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -60.37 -47.08 87.59 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.506 1.048 . . . . 0.0 111.531 174.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.24 -36.63 82.59 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 112.747 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.51 62.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.173 0.989 . . . . 0.0 112.355 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.1 -26.43 66.21 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.664 1.186 . . . . 0.0 113.21 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.04 -29.14 67.06 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.16 -10.39 0.14 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 118.227 2.677 . . . . 0.0 118.227 -166.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.39 -29.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 126.245 1.818 . . . . 0.0 112.846 -175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 65.9 9.32 6.01 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.285 1.834 . . . . 0.0 115.857 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.5 m -143.49 111.37 6.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.893 1.677 . . . . 0.0 110.489 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.17 -42.85 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 0.0 112.37 -169.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -69.23 -40.3 78.01 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 88.8 p -72.37 -33.71 67.43 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.135 0.879 . . . . 0.0 112.244 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -58.08 -46.75 84.95 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.91 0.777 . . . . 0.0 111.986 167.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.316 -0.865 . . . . 0.0 111.881 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -55.12 -46.48 75.61 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.094 -1.004 . . . . 0.0 112.139 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -60.9 -45.75 93.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.882 1.273 . . . . 0.0 112.118 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.07 -47.61 71.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.983 1.313 . . . . 0.0 112.413 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 57' ' ' ILE . 29.7 mt -66.75 -49.72 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.205 0.602 . . . . 0.0 110.578 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.8 -47.27 83.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.075 0.95 . . . . 0.0 111.716 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.17 -40.48 85.74 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.315 1.046 . . . . 0.0 112.454 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 39.2 m -73.25 -15.13 61.43 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 N--CA 1.48 1.063 0 O-C-N 120.993 -1.067 . . . . 0.0 112.673 -173.844 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 m120 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 121.858 0.837 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -137.89 144.57 41.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.556 1.942 . . . . 0.0 109.872 -168.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.68 159.52 23.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.867 0.842 . . . . 0.0 112.922 -165.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.85 131.91 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.382 1.473 . . . . 0.0 108.18 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -153.2 121.89 6.39 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.275 1.03 . . . . 0.0 111.764 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -158.24 -172.39 3.87 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.63 1.572 . . . . 0.0 112.18 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.74 152.17 48.08 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.609 1.564 . . . . 0.0 112.735 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -133.95 178.05 7.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.086 2.154 . . . . 0.0 109.497 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.9 m -83.66 151.91 25.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.573 0.749 . . . . 0.0 111.11 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -46.76 -46.98 20.83 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.463 1.505 . . . . 0.0 113.751 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.52 -42.18 78.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.045 0.938 . . . . 0.0 112.26 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.15 -47.68 83.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.242 0.617 . . . . 0.0 111.02 172.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -59.94 -42.71 94.59 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.791 -0.568 . . . . 0.0 112.331 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.66 -46.43 89.06 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.282 1.033 . . . . 0.0 112.606 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.43 -50.14 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.606 -0.684 . . . . 0.0 111.538 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.66 -39.44 84.44 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.535 0.734 . . . . 0.0 112.142 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.52 -44.21 94.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.118 1.367 . . . . 0.0 112.381 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -64.68 -45.84 84.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.86 0.755 . . . . 0.0 111.797 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -36.84 82.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.108 0.563 . . . . 0.0 111.865 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.15 69.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.637 0.775 . . . . 0.0 112.069 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.27 -30.17 66.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.457 1.026 . . . . 0.0 113.469 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -64.43 -21.39 66.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -154.08 -11.68 0.14 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 118.239 2.681 . . . . 0.0 118.239 -170.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -136.55 -30.22 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 125.772 1.629 . . . . 0.0 112.991 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 64.79 6.94 3.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.72 2.008 . . . . 0.0 116.081 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -142.38 105.87 4.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.743 1.617 . . . . 0.0 110.33 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -60.76 -40.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.964 0.906 . . . . 0.0 112.665 -169.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -57.34 -53.75 54.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.361 1.064 . . . . 0.0 112.443 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -63.15 -40.45 97.6 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.095 0.958 . . . . 0.0 111.789 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.09 -50.26 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.056 0.943 . . . . 0.0 112.309 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 118.969 0.804 . . . . 0.0 111.059 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -54.47 -50.22 68.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -66.15 -39.62 89.94 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.777 1.231 . . . . 0.0 112.907 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.27 -47.92 77.62 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.754 1.222 . . . . 0.0 112.218 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.39 -48.77 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.444 0.698 . . . . 0.0 110.355 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.95 -56.91 12.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.645 0.778 . . . . 0.0 111.308 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.87 -41.72 87.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.062 1.345 . . . . 0.0 113.075 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.1 m -66.48 -40.34 89.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.062 0.545 . . . . 0.0 111.739 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.473 0.699 0 C-N-CA 124.068 0.947 . . . . 0.0 112.002 179.211 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 121.182 0.515 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -123.5 112.88 18.01 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.516 1.926 . . . . 0.0 109.983 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -81.05 156.81 25.66 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 128.39 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.381 1.472 . . . . 0.0 108.839 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 144.75 33.73 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.395 1.078 . . . . 0.0 111.425 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -163.78 178.81 7.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.91 1.284 . . . . 0.0 112.257 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -127.06 152.55 47.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.293 1.437 . . . . 0.0 112.791 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -140.66 178.52 7.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.325 2.65 . . . . 0.0 110.267 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 m -92.87 159.58 15.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 0.0 111.26 172.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.1 -48.2 76.62 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.85 0.86 . . . . 0.0 113.207 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.06 -41.94 94.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.108 0.563 . . . . 0.0 111.962 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.22 -48.3 82.31 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.497 0.719 . . . . 0.0 111.63 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.32 -37.55 85.64 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.97 -42.31 99.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.255 0.934 . . . . 0.0 112.915 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.12 -47.58 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.425 0.69 . . . . 0.0 111.072 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.89 -40.61 89.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.608 0.64 . . . . 0.0 112.241 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.95 -45.09 95.21 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.56 1.144 . . . . 0.0 112.037 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.38 -50.68 68.93 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.107 0.867 . . . . 0.0 111.847 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.28 -38.65 77.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.613 1.165 . . . . 0.0 112.265 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.13 -58.83 3.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.662 1.185 . . . . 0.0 111.726 171.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.29 -21.83 50.44 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.184 1.394 . . . . 0.0 114.598 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.56 -29.38 6.87 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 164.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -142.06 -27.3 0.64 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.3 t -149.25 94.85 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 127.945 2.498 . . . . 0.0 108.226 -168.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.95 -27.75 46.09 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -79.76 107.39 12.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.938 0.895 . . . . 0.0 111.344 172.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.14 -39.87 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.132 0.973 . . . . 0.0 111.704 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -72.74 -34.54 67.12 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.23 -0.919 . . . . 0.0 112.895 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.4 t -68.46 -38.93 81.55 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.987 0.812 . . . . 0.0 111.543 172.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -57.79 -46.14 85.05 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.887 0.875 . . . . 0.0 112.34 169.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.46 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.27 0.941 . . . . 0.0 111.629 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -53.79 -49.72 67.66 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.631 0.772 . . . . 0.0 111.84 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -59.28 -44.94 92.42 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.55 1.14 . . . . 0.0 112.143 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.08 -49.26 74.31 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.108 1.363 . . . . 0.0 112.464 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.85 -47.97 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.356 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 78.4 mt -58.42 -53.03 62.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.048 0.539 . . . . 0.0 111.796 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -60.9 -25.12 66.5 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.4 m -80.69 -18.34 48.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.188 0.995 . . . . 0.0 113.129 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.481 1.119 0 O-C-N 121.143 -0.973 . . . . 0.0 113.106 -165.907 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.0 m120 . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 121.503 0.668 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' B' ' 35' ' ' HIS . 20.7 m-85 -126.79 124.53 39.9 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.561 1.545 . . . . 0.0 109.454 -172.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 p -94.68 161.14 14.31 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.51 135.97 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.334 1.453 . . . . 0.0 108.842 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.83 123.0 5.92 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.384 1.074 . . . . 0.0 111.215 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -154.21 166.71 32.28 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.267 1.027 . . . . 0.0 112.872 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -100.24 154.77 18.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.494 1.118 . . . . 0.0 112.405 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.52 163.43 29.42 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.837 2.455 . . . . 0.0 110.22 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -70.51 153.25 43.12 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.322 1.049 . . . . 0.0 110.586 163.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.68 -38.95 57.22 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.653 0.781 . . . . 0.0 112.41 169.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.33 -52.8 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.075 0.55 . . . . 0.0 112.428 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.77 -35.05 76.58 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.433 -0.792 . . . . 0.0 112.028 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' B' ' 24' ' ' PHE . 66.3 t-80 -62.38 -45.62 92.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.73 172.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.93 -44.87 94.08 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.044 0.838 . . . . 0.0 112.337 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.18 -52.19 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.053 0.842 . . . . 0.0 111.075 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.84 -39.64 85.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -61.86 -47.17 86.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.444 1.098 . . . . 0.0 112.421 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.97 -41.75 86.32 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.834 1.197 . . . . 0.0 111.799 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -37.81 84.82 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -49.24 64.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.781 0.832 . . . . 0.0 112.53 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.98 -27.68 67.05 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.277 1.031 . . . . 0.0 113.145 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.16 -27.2 68.79 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.71 -9.61 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 118.155 2.65 . . . . 0.0 118.155 -169.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.46 -33.07 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 125.525 1.53 . . . . 0.0 112.965 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 63.17 10.91 4.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 126.36 1.864 . . . . 0.0 115.969 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 99.57 3.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.165 1.786 . . . . 0.0 109.977 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.95 -40.03 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.2 1.0 . . . . 0.0 112.814 -168.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -60.73 -47.32 86.8 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.046 0.839 . . . . 0.0 112.594 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -66.18 -41.98 89.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.588 1.155 . . . . 0.0 111.79 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.1 -46.46 85.49 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.579 0.752 . . . . 0.0 112.385 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.47 -43.58 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 119.171 0.896 . . . . 0.0 111.477 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.7 -50.54 68.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.425 1.011 . . . . 0.0 111.363 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -61.05 -44.08 97.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.762 1.625 . . . . 0.0 112.779 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.59 -48.12 80.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.577 1.551 . . . . 0.0 112.011 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.31 -46.33 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.383 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.52 -54.65 41.34 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.037 0.835 . . . . 0.0 111.487 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -57.91 -39.72 78.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.313 1.445 . . . . 0.0 113.21 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -82.2 -26.22 33.53 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 mm . . . . . 0 N--CA 1.473 0.679 0 C-N-CA 124.304 1.042 . . . . 0.0 112.091 173.597 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 121.559 0.695 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.439 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 26.1 m-85 -136.0 122.1 20.23 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.73 2.012 . . . . 0.0 109.584 -172.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.57 153.61 17.63 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.47 -0.769 . . . . 0.0 112.294 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -133.85 129.63 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.815 2.046 . . . . 0.0 108.645 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 64.6 p -140.15 141.03 36.09 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.524 1.13 . . . . 0.0 111.491 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -163.46 -178.78 6.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.979 1.312 . . . . 0.0 112.027 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -127.2 154.15 45.19 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.363 1.465 . . . . 0.0 112.213 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -134.74 167.36 20.99 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.4 2.28 . . . . 0.0 110.969 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.0 t -79.26 158.99 27.46 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.331 1.452 . . . . 0.0 111.373 168.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -44.78 79.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.496 1.119 . . . . 0.0 111.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.11 -46.72 61.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.715 0.806 . . . . 0.0 112.573 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.2 -36.63 77.47 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.254 -0.903 . . . . 0.0 111.803 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . 0.401 ' CD2' ' HB3' ' A' ' 24' ' ' PHE . 59.6 t-80 -65.7 -41.71 92.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.687 0.676 . . . . 0.0 112.086 171.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.57 -44.08 85.03 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.53 1.059 . . . . 0.0 112.816 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.76 -50.7 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.386 0.674 . . . . 0.0 111.133 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.12 -42.58 90.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.777 0.717 . . . . 0.0 112.081 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.44 -37.19 86.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.414 1.086 . . . . 0.0 112.812 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.1 -51.36 61.76 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.609 1.095 . . . . 0.0 111.499 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.67 -31.51 72.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.207 0.603 . . . . 0.0 112.348 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -59.13 4.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.035 0.934 . . . . 0.0 111.467 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.21 -25.34 32.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.25 1.42 . . . . 0.0 114.456 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -54.08 -25.67 23.02 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 169.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -154.26 -30.74 0.11 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.19 83.91 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 127.675 2.39 . . . . 0.0 108.385 -176.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.46 -18.53 29.41 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -68.02 91.25 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.704 1.202 . . . . 0.0 111.039 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.0 -42.41 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.774 1.229 . . . . 0.0 112.43 -172.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -65.99 -39.42 90.32 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.44 -0.788 . . . . 0.0 113.058 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -67.12 -41.1 86.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.928 0.785 . . . . 0.0 111.746 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.5 -45.44 84.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.36 -44.24 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.172 0.896 . . . . 0.0 111.594 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.19 -49.56 66.46 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.311 0.96 . . . . 0.0 111.071 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -60.91 -46.1 92.01 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.757 1.623 . . . . 0.0 112.735 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.6 -47.9 75.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.116 1.366 . . . . 0.0 112.471 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -65.18 -51.13 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 123.179 0.591 . . . . 0.0 110.012 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.23 -57.85 9.07 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.017 0.927 . . . . 0.0 111.582 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -65.08 -28.08 69.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.02 0.928 . . . . 0.0 113.467 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.2 m -77.65 -39.79 43.9 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.947 0.499 . . . . 0.0 111.854 174.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 mm . . . . . 0 N--CA 1.474 0.763 0 C-N-CA 124.245 1.018 . . . . 0.0 112.156 -179.825 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 p30 . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 121.813 0.816 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -134.06 111.41 10.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.553 1.941 . . . . 0.0 109.718 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.9 p -81.69 156.23 25.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -166.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.82 128.73 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.58 1.552 . . . . 0.0 108.726 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 p -142.79 141.06 31.6 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.166 0.986 . . . . 0.0 110.475 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -164.68 -176.02 4.09 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.041 1.336 . . . . 0.0 111.851 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -121.3 158.69 27.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.708 1.603 . . . . 0.0 112.051 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.78 172.31 13.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.225 2.21 . . . . 0.0 110.329 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.57 166.34 22.66 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 172.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -61.1 -52.33 65.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.643 0.777 . . . . 0.0 111.906 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.18 -35.89 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.763 0.825 . . . . 0.0 111.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.64 -49.97 75.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.195 0.998 . . . . 0.0 112.032 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -67.88 -36.41 80.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 119.091 -0.48 . . . . 0.0 111.995 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.84 -41.36 97.72 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.37 0.986 . . . . 0.0 113.392 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.87 -47.57 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.357 -0.839 . . . . 0.0 110.803 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.95 -35.6 75.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.021 0.828 . . . . 0.0 112.265 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -65.21 -37.78 88.37 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.954 1.252 . . . . 0.0 112.71 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.43 -50.91 67.95 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.593 1.542 . . . . 0.0 111.721 171.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.88 -37.17 73.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.33 1.052 . . . . 0.0 112.285 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.01 19.94 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.999 1.32 . . . . 0.0 112.074 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.93 -21.1 42.17 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.163 1.785 . . . . 0.0 114.141 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -48.28 -26.53 2.03 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 163.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.99 -37.77 0.1 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -151.51 92.47 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 127.53 2.332 . . . . 0.0 108.241 -174.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.56 -17.67 55.99 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 -165.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -70.18 101.36 1.85 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.837 1.255 . . . . 0.0 111.953 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.8 t -54.06 -39.53 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.55 1.14 . . . . 0.0 113.146 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -40.73 94.05 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.283 0.947 . . . . 0.0 113.233 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -66.98 -41.46 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.617 -0.677 . . . . 0.0 111.371 172.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.67 -46.01 88.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.417 0.687 . . . . 0.0 112.308 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.73 -44.25 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 111.371 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.85 -48.53 77.87 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.39 0.995 . . . . 0.0 112.098 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -62.58 -46.57 87.72 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.783 1.233 . . . . 0.0 111.843 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -52.25 -48.11 65.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.887 1.675 . . . . 0.0 112.139 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.81 -50.29 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.214 1.006 . . . . 0.0 110.935 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.31 -12.06 12.24 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -117.38 1.4 12.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.777 1.631 . . . . 0.0 114.299 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.71 -34.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 O-C-N 121.287 -0.883 . . . . 0.0 111.021 169.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 m120 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 121.68 0.752 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -113.16 120.42 41.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.3 1.84 . . . . 0.0 109.516 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.1 p -90.76 158.83 16.64 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.67 123.52 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.628 1.571 . . . . 0.0 108.462 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -143.99 116.23 8.47 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.317 1.047 . . . . 0.0 112.308 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.48 -169.46 3.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.655 1.182 . . . . 0.0 112.763 -173.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -132.37 153.37 50.84 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.558 1.543 . . . . 0.0 112.893 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.0 mt -133.89 178.46 6.93 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.343 2.257 . . . . 0.0 109.822 170.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -86.59 153.33 21.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 112.144 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -49.86 -53.62 24.6 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.283 1.433 . . . . 0.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.11 -40.37 78.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.785 0.434 . . . . 0.0 112.091 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.53 -49.87 75.82 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.27 1.028 . . . . 0.0 111.555 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.1 -43.51 98.68 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.592 0.757 . . . . 0.0 112.211 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.18 -49.79 74.88 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.798 0.839 . . . . 0.0 112.443 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.49 -46.02 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.273 0.629 . . . . 0.0 111.468 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.78 -36.76 85.35 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.949 0.795 . . . . 0.0 112.637 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -66.21 -38.99 89.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.897 1.279 . . . . 0.0 112.367 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -64.61 -43.41 93.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.203 1.001 . . . . 0.0 111.902 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.41 95.4 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.624 0.77 . . . . 0.0 111.811 173.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.96 76.11 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.473 0.709 . . . . 0.0 112.024 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.22 -32.63 66.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.454 1.102 . . . . 0.0 113.367 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -150.74 -7.89 0.27 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -169.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 83.8 t -137.05 -25.94 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.39 1.476 . . . . 0.0 113.359 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 68.36 -2.33 1.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.461 2.304 . . . . 0.0 116.559 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 57.9 m -141.19 123.23 15.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.345 1.458 . . . . 0.0 111.492 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.66 -41.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.624 0.77 . . . . 0.0 112.152 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -59.94 -49.78 76.33 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.564 0.62 . . . . 0.0 112.169 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.4 p -73.28 -33.32 65.17 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.517 0.727 . . . . 0.0 112.17 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.14 -50.59 73.46 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.164 0.893 . . . . 0.0 112.625 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.68 -40.93 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.789 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -52.71 -49.5 65.26 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.243 1.383 . . . . 0.0 112.403 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -60.23 -46.17 90.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.088 1.755 . . . . 0.0 112.592 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.81 -51.85 67.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.879 0.871 . . . . 0.0 112.389 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.86 -41.18 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.606 1.163 . . . . 0.0 111.317 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.96 -61.7 2.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.417 0.687 . . . . 0.0 110.803 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.57 -46.77 86.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.983 0.913 . . . . 0.0 113.079 -171.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -70.02 -31.4 69.03 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mm . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 123.757 0.823 . . . . 0.0 111.145 173.687 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.6 m120 . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.95 106.19 7.9 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.232 1.413 . . . . 0.0 110.206 -166.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 t -87.31 159.81 18.63 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -170.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.67 130.04 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 127.686 2.394 . . . . 0.0 108.506 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -144.41 118.77 9.61 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.478 1.111 . . . . 0.0 112.221 -169.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -152.94 -178.76 7.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.749 -1.219 . . . . 0.0 113.994 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -123.26 153.94 39.48 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.209 1.804 . . . . 0.0 112.877 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -141.45 171.83 13.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 128.859 2.864 . . . . 0.0 110.499 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -81.51 161.38 23.64 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.044 0.938 . . . . 0.0 111.886 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.99 -51.56 68.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.656 1.182 . . . . 0.0 113.099 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.09 -39.54 86.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.05 0.54 . . . . 0.0 111.651 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.55 -49.85 75.93 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.173 1.389 . . . . 0.0 112.057 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -63.85 -40.63 97.03 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.98 -39.09 88.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.701 0.8 . . . . 0.0 112.824 173.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.49 -46.63 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.486 -0.759 . . . . 0.0 111.27 170.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.41 -41.42 97.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.693 1.133 . . . . 0.0 112.638 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -56.8 -48.59 77.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.873 1.269 . . . . 0.0 111.756 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -62.29 -50.65 70.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.035 0.934 . . . . 0.0 111.936 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.46 -40.13 85.87 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.535 0.734 . . . . 0.0 112.291 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.31 70.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.053 0.541 . . . . 0.0 112.325 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.96 -35.66 73.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.135 0.974 . . . . 0.0 113.251 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.45 -13.65 62.22 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -136.83 -41.4 0.6 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -167.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -143.54 -0.42 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 125.378 1.471 . . . . 0.0 114.749 -166.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 72.1 -22.83 0.2 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.826 2.45 . . . . 0.0 116.286 174.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -137.79 138.23 39.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.294 1.406 . . . . 0.0 114.417 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.02 -35.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.841 0.856 . . . . 0.0 111.887 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -60.15 -44.51 94.91 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.238 0.926 . . . . 0.0 111.719 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.4 m -76.52 -35.16 58.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -55.0 -51.87 64.89 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.66 0.664 . . . . 0.0 111.985 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.1 -43.05 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.352 -0.833 . . . . 0.0 111.741 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -42.1 93.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.293 1.406 . . . . 0.0 112.043 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -68.1 -36.81 80.38 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.13 -48.59 75.92 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.439 1.018 . . . . 0.0 111.901 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.66 -47.49 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 110.9 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.34 -54.1 44.9 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.171 0.989 . . . . 0.0 111.008 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -56.18 -59.34 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.176 0.99 . . . . 0.0 111.681 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 t -71.34 -15.37 62.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.48 1.027 0 C-N-CA 124.559 1.144 . . . . 0.0 112.368 178.788 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 120.84 0.352 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -138.14 140.32 39.82 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.668 1.987 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -119.23 154.71 32.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -161.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -138.21 130.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.169 1.388 . . . . 0.0 109.294 -175.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p -143.36 132.86 23.53 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.747 1.219 . . . . 0.0 111.019 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -162.68 154.62 18.42 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.904 0.882 . . . . 0.0 113.207 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.65 152.06 30.19 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 168.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -130.52 176.0 8.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.181 2.592 . . . . 0.0 109.792 165.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 67.7 m -85.37 158.77 20.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.032 0.933 . . . . 0.0 112.311 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.59 -53.72 54.96 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.275 1.03 . . . . 0.0 113.375 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.06 -35.27 76.36 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.749 0.419 . . . . 0.0 112.008 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.45 -50.35 73.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.673 1.189 . . . . 0.0 111.883 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -63.89 -36.72 84.86 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.74 -0.6 . . . . 0.0 112.548 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -40.78 96.07 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.206 -0.934 . . . . 0.0 113.16 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.83 -46.97 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.782 170.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.24 -41.05 87.8 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.746 0.703 . . . . 0.0 112.203 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -59.94 -43.33 95.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.699 1.2 . . . . 0.0 112.135 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -65.76 -49.22 69.18 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.906 1.23 . . . . 0.0 112.805 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.93 -37.7 74.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.57 0.748 . . . . 0.0 112.334 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.1 34.87 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.661 1.184 . . . . 0.0 111.733 171.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.45 -22.2 61.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.58 1.952 . . . . 0.0 114.711 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.64 -19.23 5.67 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 164.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -140.86 -53.29 0.48 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.86 1.264 . . . . 0.0 113.92 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -152.84 100.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 127.998 2.519 . . . . 0.0 107.517 -175.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -61.24 -9.13 4.45 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 -170.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.3 m -63.6 86.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.41 1.884 . . . . 0.0 112.712 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -50.18 -43.99 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.223 1.409 . . . . 0.0 113.292 -174.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -63.83 -45.15 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 m -64.45 -42.21 96.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.736 0.814 . . . . 0.0 111.823 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.91 -48.24 82.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.486 1.114 . . . . 0.0 112.305 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.01 -42.76 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.122 0.969 . . . . 0.0 111.405 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.18 -48.73 75.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.062 0.846 . . . . 0.0 111.741 173.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -45.79 92.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.458 1.503 . . . . 0.0 111.732 176.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -56.68 -49.67 74.41 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.513 1.525 . . . . 0.0 112.776 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.94 -44.76 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.485 0.714 . . . . 0.0 110.821 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.78 -57.47 10.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.814 0.846 . . . . 0.0 110.903 173.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.14 -26.58 68.4 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.2 m -77.14 -23.83 51.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.69 0.796 . . . . 0.0 112.951 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 124.061 0.944 . . . . 0.0 112.534 -168.347 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 CA--C 1.534 0.348 0 CA-C-O 121.82 0.819 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -136.03 146.06 46.73 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.873 1.669 . . . . 0.0 110.027 -166.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.15 156.65 31.89 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -163.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.2 t -138.3 127.44 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.023 1.329 . . . . 0.0 109.048 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.3 p -142.06 137.3 30.96 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.754 1.222 . . . . 0.0 111.783 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -166.81 -173.28 2.35 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.33 1.452 . . . . 0.0 111.826 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.1 151.4 48.69 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.663 1.585 . . . . 0.0 112.514 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -133.73 172.57 12.59 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 127.015 2.126 . . . . 0.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -84.03 162.49 20.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.865 1.266 . . . . 0.0 111.721 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -55.26 -54.18 46.73 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.094 0.958 . . . . 0.0 112.833 -176.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.69 -34.63 72.18 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.0 -52.67 64.37 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.822 -0.549 . . . . 0.0 110.673 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -61.91 -38.63 89.12 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -60.89 -43.61 98.25 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.081 0.855 . . . . 0.0 113.065 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -62.84 -49.95 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.972 0.806 . . . . 0.0 110.94 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.87 -39.21 84.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.756 0.707 . . . . 0.0 111.86 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.19 -45.43 93.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.366 1.067 . . . . 0.0 112.205 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -62.51 -48.35 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.097 1.317 . . . . 0.0 111.856 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.64 -33.33 74.81 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.811 0.844 . . . . 0.0 112.318 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.68 -51.26 36.1 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.648 0.658 . . . . 0.0 112.186 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -59.68 -21.66 60.87 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 113.61 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -51.87 -34.58 41.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 167.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -162.77 -27.6 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.07 -31.24 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.048 1.339 . . . . 0.0 112.506 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 69.21 5.57 5.18 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.495 1.918 . . . . 0.0 115.759 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.4 p -152.1 133.29 14.37 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.953 -1.092 . . . . 0.0 113.535 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 m -61.69 -38.68 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -65.39 -49.93 67.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.763 0.71 . . . . 0.0 112.078 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -67.0 -36.76 82.86 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.118 0.567 . . . . 0.0 111.829 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.76 -52.94 62.96 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 173.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.67 -40.98 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.999 0.818 . . . . 0.0 111.318 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -49.98 -57.29 7.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.321 1.049 . . . . 0.0 111.614 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -64.06 -40.83 97.14 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.37 1.068 . . . . 0.0 112.601 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -56.13 -49.86 72.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.581 1.552 . . . . 0.0 112.222 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.32 -44.54 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.75 -49.14 76.13 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.778 0.717 . . . . 0.0 112.402 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -62.92 -32.71 74.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.2 m -76.43 -34.57 58.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.742 0.817 . . . . 0.0 112.948 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.4 mm . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 123.892 0.877 . . . . 0.0 111.983 -169.419 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.76 108.78 11.03 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.482 . . . . 0.0 109.862 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.2 p -80.47 158.86 25.76 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -168.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.36 135.25 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.414 1.485 . . . . 0.0 108.68 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -154.25 122.76 6.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.549 1.14 . . . . 0.0 110.998 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -154.91 177.89 10.79 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.348 1.059 . . . . 0.0 113.471 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -126.6 152.19 46.96 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.926 1.691 . . . . 0.0 112.728 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -142.36 179.88 6.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.156 2.582 . . . . 0.0 110.409 -173.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -83.64 161.63 21.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.158 0.983 . . . . 0.0 111.8 170.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.52 -42.19 82.34 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.232 0.613 . . . . 0.0 112.014 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.27 -49.2 78.03 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.902 0.881 . . . . 0.0 111.714 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.52 -44.4 90.98 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.505 -0.747 . . . . 0.0 111.842 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -62.75 -39.53 94.45 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.78 -41.21 99.15 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.712 1.142 . . . . 0.0 113.266 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.81 -48.95 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.515 -0.741 . . . . 0.0 110.953 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.8 -38.53 91.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.026 0.83 . . . . 0.0 112.812 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.08 -53.04 61.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.888 1.275 . . . . 0.0 111.046 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.56 -49.16 74.53 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.406 0.682 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 35.0 tp -61.19 -37.27 82.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.33 1.052 . . . . 0.0 112.424 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.43 -55.02 10.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.969 0.907 . . . . 0.0 111.769 170.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.95 -24.4 37.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 114.707 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -50.67 -26.41 5.43 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 166.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -140.13 -35.9 0.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.83 97.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 127.929 2.492 . . . . 0.0 109.884 -172.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -53.44 -22.51 7.95 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 t -69.44 96.03 0.86 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.026 1.33 . . . . 0.0 111.9 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 86.3 t -57.59 -39.76 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.863 0.865 . . . . 0.0 111.802 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -63.57 -43.09 98.03 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.264 -0.897 . . . . 0.0 112.92 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -65.0 -43.77 91.45 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.883 0.765 . . . . 0.0 111.836 173.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -56.88 -50.04 73.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.817 0.847 . . . . 0.0 112.295 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.06 -41.84 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 118.753 0.706 . . . . 0.0 111.503 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.38 -52.22 64.26 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.372 0.987 . . . . 0.0 111.624 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -60.45 -42.57 96.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.529 1.132 . . . . 0.0 112.732 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -56.27 -47.53 78.39 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.443 1.497 . . . . 0.0 112.441 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.58 -50.76 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.165 0.986 . . . . 0.0 110.698 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -53.77 -51.8 62.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.069 0.547 . . . . 0.0 111.517 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.69 97.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.353 1.061 . . . . 0.0 112.982 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.1 m -72.76 -38.77 67.22 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.478 0.97 0 CA-C-N 119.201 0.909 . . . . 0.0 112.609 -178.253 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 122.059 0.933 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -141.08 146.54 37.27 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.451 2.3 . . . . 0.0 110.467 -167.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.53 157.9 26.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -138.21 126.29 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 108.948 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 p -143.01 127.97 18.42 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.673 1.189 . . . . 0.0 112.0 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -158.78 -174.62 4.86 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.509 1.124 . . . . 0.0 112.411 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.5 150.86 48.5 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.265 1.426 . . . . 0.0 112.682 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -131.54 171.93 12.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.484 2.314 . . . . 0.0 110.469 175.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.7 m -81.32 158.13 24.83 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.13 . . . . 0.0 111.196 173.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -56.6 -48.76 76.74 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.944 0.897 . . . . 0.0 113.178 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -39.21 84.76 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.058 0.543 . . . . 0.0 112.272 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.07 -53.37 58.63 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.625 0.77 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -61.8 -38.75 89.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.819 -0.551 . . . . 0.0 112.157 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.33 -41.58 96.71 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.031 0.932 . . . . 0.0 113.217 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.17 -46.36 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.041 -1.037 . . . . 0.0 111.161 171.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.57 -39.23 83.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.92 0.782 . . . . 0.0 111.898 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -62.29 -39.62 93.58 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.265 1.026 . . . . 0.0 112.462 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -66.55 -49.29 66.92 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.632 1.105 . . . . 0.0 112.147 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.61 -36.3 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.682 0.793 . . . . 0.0 111.969 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.83 -49.73 49.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.59 1.156 . . . . 0.0 112.331 170.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.64 -19.25 47.93 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.319 1.848 . . . . 0.0 114.263 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.8 -25.63 0.79 Allowed 'General case' 0 CA--C 1.557 1.217 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 160.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.4 -43.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.534 1.534 . . . . 0.0 114.129 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 p -168.58 109.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.7 2.4 . . . . 0.0 108.737 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.96 -11.62 3.6 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -56.96 93.87 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.306 1.842 . . . . 0.0 113.594 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.7 t -55.32 -41.27 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.764 1.226 . . . . 0.0 112.95 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.26 -42.24 93.44 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.7 m -65.69 -41.1 92.8 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.742 0.817 . . . . 0.0 111.867 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.79 -44.26 94.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.463 0.705 . . . . 0.0 112.168 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.89 -43.22 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.873 0.869 . . . . 0.0 111.675 173.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.77 -49.42 73.18 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.504 1.047 . . . . 0.0 111.555 173.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -62.14 -41.04 97.88 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.623 1.169 . . . . 0.0 112.724 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.92 -48.49 79.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.213 1.405 . . . . 0.0 112.485 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.4 mt -65.2 -45.2 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.774 0.83 . . . . 0.0 110.648 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.7 mt -56.44 -52.55 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.476 0.71 . . . . 0.0 112.056 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.15 -34.87 74.16 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.4 m -73.1 -29.43 62.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.729 0.812 . . . . 0.0 112.891 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 N--CA 1.48 1.045 0 C-N-CA 123.805 0.842 . . . . 0.0 113.006 -168.797 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 121.018 0.437 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -134.33 110.26 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.524 1.53 . . . . 0.0 109.851 -173.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p -83.64 159.54 21.55 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -137.54 131.58 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.715 1.606 . . . . 0.0 108.332 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -152.05 121.83 6.99 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.225 1.01 . . . . 0.0 111.657 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -155.45 174.86 14.64 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.2 1.0 . . . . 0.0 113.292 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.96 151.22 45.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.791 1.636 . . . . 0.0 112.9 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 44.8 mt -140.08 178.23 7.42 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.912 2.885 . . . . 0.0 109.179 -175.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.4 p -83.68 162.59 20.68 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.71 -0.619 . . . . 0.0 112.305 171.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.35 -47.39 75.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 112.496 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.91 -38.97 79.92 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.21 0.604 . . . . 0.0 112.392 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.09 -45.79 90.45 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.474 -0.766 . . . . 0.0 111.722 172.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -63.62 -39.48 94.46 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.829 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -58.74 -44.54 90.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.575 1.079 . . . . 0.0 112.585 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.78 -51.0 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.383 -0.823 . . . . 0.0 111.077 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.1 mt -59.39 -40.15 85.66 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.569 0.622 . . . . 0.0 112.077 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.96 -42.8 99.93 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.994 1.718 . . . . 0.0 112.427 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -65.42 -51.17 62.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.774 0.83 . . . . 0.0 111.801 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.34 -34.75 74.27 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.482 0.713 . . . . 0.0 112.383 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -61.99 1.64 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.318 1.047 . . . . 0.0 111.35 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.37 -21.51 36.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.605 1.562 . . . . 0.0 114.798 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.94 -26.61 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 165.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.93 -22.0 0.19 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -148.84 93.17 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 128.017 2.527 . . . . 0.0 108.244 -172.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.68 -25.38 53.74 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.9 m -74.95 85.03 2.25 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.701 1.6 . . . . 0.0 111.987 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.18 -43.11 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.477 1.511 . . . . 0.0 113.109 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -65.6 -42.66 91.38 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -67.96 -35.61 78.68 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.913 0.885 . . . . 0.0 112.246 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.22 -49.35 78.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.768 0.827 . . . . 0.0 111.479 168.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.98 -44.28 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.163 0.892 . . . . 0.0 111.48 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.64 -51.23 63.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.117 0.967 . . . . 0.0 111.959 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -69.2 -33.54 73.5 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -57.71 -46.15 84.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.38 1.072 . . . . 0.0 112.229 170.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.0 mt -65.92 -45.74 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.657 0.783 . . . . 0.0 110.506 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -52.77 -53.43 48.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.511 0.596 . . . . 0.0 111.124 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.61 -4.74 4.45 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.5 p -124.9 8.85 8.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.439 1.496 . . . . 0.0 113.28 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 N--CA 1.477 0.902 0 C-N-CA 126.207 1.803 . . . . 0.0 111.564 176.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 121.223 0.535 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -125.36 102.52 7.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.45 1.9 . . . . 0.0 109.964 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.5 p -71.57 155.91 40.01 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -142.3 133.81 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.545 1.538 . . . . 0.0 109.147 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -143.57 138.73 29.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.686 1.194 . . . . 0.0 110.531 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -163.15 154.44 17.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -75.99 152.72 36.92 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.775 0.83 . . . . 0.0 112.806 168.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.67 175.61 9.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.925 2.49 . . . . 0.0 109.678 167.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -81.34 155.21 26.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.979 0.912 . . . . 0.0 111.53 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.12 -50.7 70.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.013 0.925 . . . . 0.0 113.195 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.79 -43.03 94.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.103 0.561 . . . . 0.0 111.794 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.42 -48.94 79.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.938 1.295 . . . . 0.0 112.39 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -59.61 -39.65 84.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.669 -0.645 . . . . 0.0 111.898 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.74 -44.41 81.56 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 m -66.27 -38.07 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 120.542 -1.349 . . . . 0.0 112.172 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.09 -37.13 86.5 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.585 -0.697 . . . . 0.0 111.635 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.56 -40.34 94.39 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.644 1.111 . . . . 0.0 112.507 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -65.17 -48.71 72.53 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 119.974 1.261 . . . . 0.0 111.981 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.85 -35.29 76.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.732 0.813 . . . . 0.0 112.312 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.36 31.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.29 1.036 . . . . 0.0 111.806 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.85 -24.99 55.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.994 1.718 . . . . 0.0 114.239 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -52.21 -26.38 11.55 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.76 -48.99 0.34 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -149.12 93.79 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 127.66 2.384 . . . . 0.0 107.995 -173.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.99 -20.47 53.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -164.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -68.76 106.44 2.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.508 1.123 . . . . 0.0 112.501 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 m -50.32 -38.51 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.786 1.234 . . . . 0.0 113.95 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -72.95 -39.32 66.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -63.74 -44.11 94.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.789 0.835 . . . . 0.0 111.313 170.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.03 -45.64 90.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.845 0.858 . . . . 0.0 112.54 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.24 -43.64 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.401 -0.812 . . . . 0.0 111.974 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -56.1 -45.44 79.43 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.75 -1.219 . . . . 0.0 111.587 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -64.1 -40.82 97.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.144 1.378 . . . . 0.0 113.245 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -56.74 -46.7 81.21 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.259 1.023 . . . . 0.0 112.196 171.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.402 HD11 HD11 ' B' ' 57' ' ' ILE . 65.0 mt -64.63 -51.91 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.151 0.981 . . . . 0.0 110.683 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -39.9 92.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.697 0.681 . . . . 0.0 111.954 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.13 -37.13 86.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.872 0.869 . . . . 0.0 112.881 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -70.1 -31.98 69.8 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.134 0.974 . . . . 0.0 112.638 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mt . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 123.95 0.9 . . . . 0.0 113.293 -168.246 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 . . . . . 0 CA--C 1.541 0.621 0 CA-C-O 120.847 0.356 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.38 105.9 6.82 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.794 1.638 . . . . 0.0 110.718 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 33.1 t -88.59 159.13 18.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -168.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.98 132.64 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 127.089 2.156 . . . . 0.0 108.584 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -142.62 121.21 12.52 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.517 1.127 . . . . 0.0 112.475 -168.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -157.12 -171.45 3.64 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.487 1.115 . . . . 0.0 113.108 -170.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -127.59 144.68 51.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.319 1.448 . . . . 0.0 112.808 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 67.5 mt -119.44 170.88 8.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.607 1.963 . . . . 0.0 110.077 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -83.84 155.17 23.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.429 0.692 . . . . 0.0 111.531 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -51.42 -54.1 30.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.693 1.197 . . . . 0.0 114.224 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.22 -38.38 78.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.79 -50.42 74.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.958 1.303 . . . . 0.0 111.712 172.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.58 -43.78 98.23 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.887 0.875 . . . . 0.0 111.499 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.89 -40.6 96.89 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.51 -50.4 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.33 0.652 . . . . 0.0 111.079 172.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.71 -39.42 88.52 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.927 0.785 . . . . 0.0 112.007 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -67.53 -32.95 74.08 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.813 1.645 . . . . 0.0 113.439 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.84 -49.02 67.05 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.985 1.266 . . . . 0.0 111.495 169.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -59.9 -33.84 72.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.635 0.774 . . . . 0.0 112.213 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.81 24.05 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.189 0.996 . . . . 0.0 111.556 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.84 -24.64 52.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.843 1.657 . . . . 0.0 114.911 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -54.65 -18.89 5.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 167.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.65 -39.08 0.1 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -150.57 92.03 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 127.23 2.212 . . . . 0.0 110.008 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.28 -18.83 18.39 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.1 m -62.61 97.62 0.1 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.171 1.788 . . . . 0.0 113.149 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.91 -37.77 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -58.3 -52.87 63.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.082 0.856 . . . . 0.0 111.992 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 t -65.08 -45.87 83.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.262 1.025 . . . . 0.0 111.808 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.66 -48.23 81.78 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.43 -40.31 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.529 -0.732 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -53.03 -52.69 57.66 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.459 1.027 . . . . 0.0 111.696 170.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -57.48 -50.8 71.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.98 1.712 . . . . 0.0 112.137 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -53.8 -47.79 70.48 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.588 1.155 . . . . 0.0 112.515 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.402 HD11 HD11 ' A' ' 57' ' ' ILE . 83.9 mt -67.87 -45.98 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.743 0.817 . . . . 0.0 111.124 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.02 -51.02 70.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.924 0.89 . . . . 0.0 111.422 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.54 -25.7 68.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.231 1.013 . . . . 0.0 113.601 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 80.1 m -77.04 -40.75 45.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.439 0.696 . . . . 0.0 111.624 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 124.497 1.119 . . . . 0.0 112.095 178.765 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 121.211 0.529 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -127.53 142.04 51.49 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.435 1.894 . . . . 0.0 109.659 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -122.32 157.74 31.09 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.285 -0.884 . . . . 0.0 113.242 -164.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.8 t -139.69 123.94 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 109.2 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p -143.24 123.84 14.06 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.657 1.183 . . . . 0.0 112.427 -171.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.19 -172.79 3.9 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.769 1.227 . . . . 0.0 112.643 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.39 146.75 50.69 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.323 1.449 . . . . 0.0 112.553 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -127.52 171.56 11.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.065 2.146 . . . . 0.0 110.478 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -83.35 159.33 21.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.608 0.763 . . . . 0.0 112.132 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -51.91 -60.69 2.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.342 1.457 . . . . 0.0 113.373 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.86 -32.9 72.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.23 -50.81 71.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.626 1.17 . . . . 0.0 111.359 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -64.39 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.707 -0.663 . . . . 0.0 112.11 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.48 -43.01 97.42 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.572 1.078 . . . . 0.0 113.16 172.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.3 t -62.78 -47.99 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.067 0.849 . . . . 0.0 110.85 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.36 -40.29 85.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.49 0.586 . . . . 0.0 111.913 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -62.69 -44.71 95.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.153 1.381 . . . . 0.0 112.481 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.84 -49.59 75.68 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.279 0.945 . . . . 0.0 111.918 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.0 -31.45 72.36 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.89 61.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.802 0.728 . . . . 0.0 111.774 168.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -58.61 -27.48 64.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.805 1.242 . . . . 0.0 113.361 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.37 -32.53 70.22 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.14 -4.59 0.14 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.184 2.661 . . . . 0.0 118.184 -167.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.31 -32.21 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 125.844 1.658 . . . . 0.0 112.945 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.35 13.42 4.01 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.041 2.137 . . . . 0.0 116.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -139.58 90.32 2.4 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.169 1.788 . . . . 0.0 110.212 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 t -52.47 -46.39 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.846 1.258 . . . . 0.0 113.46 -165.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -66.5 -30.12 70.38 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.168 -0.957 . . . . 0.0 113.348 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -85.21 -29.25 24.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.904 0.882 . . . . 0.0 112.258 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.87 -46.37 90.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.03 0.932 . . . . 0.0 111.301 162.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.77 -43.05 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.521 -0.737 . . . . 0.0 111.516 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -53.4 26.54 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.482 1.037 . . . . 0.0 111.595 170.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -58.39 -47.06 85.08 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.516 0.726 . . . . 0.0 112.818 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -54.56 -49.18 70.96 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.496 1.119 . . . . 0.0 112.751 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.83 -53.38 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.297 0.639 . . . . 0.0 109.829 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -46.4 84.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.071 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -62.15 -47.22 85.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.871 0.76 . . . . 0.0 111.87 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.3 m -60.57 -39.43 87.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.477 0.884 0 CA-C-N 118.945 0.793 . . . . 0.0 111.807 175.153 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -122.62 106.66 11.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.901 1.681 . . . . 0.0 109.8 -172.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -75.98 159.11 31.19 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.65 131.08 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.881 1.672 . . . . 0.0 108.31 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.2 121.13 7.1 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.257 1.023 . . . . 0.0 111.066 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -154.12 177.97 10.49 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.243 1.017 . . . . 0.0 113.044 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.26 157.92 29.25 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.688 1.595 . . . . 0.0 112.803 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.0 mt -142.54 166.96 23.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.638 3.175 . . . . 0.0 109.924 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.5 t -76.79 153.3 35.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.039 164.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -49.53 -43.49 45.71 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.886 1.275 . . . . 0.0 112.806 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.59 -52.62 50.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.328 0.651 . . . . 0.0 112.183 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.21 -33.85 70.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.22 -0.925 . . . . 0.0 112.686 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.22 -42.75 99.59 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.725 -0.609 . . . . 0.0 111.545 169.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.41 -36.48 84.3 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.212 0.914 . . . . 0.0 113.329 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.63 -50.43 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.181 0.9 . . . . 0.0 110.876 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.34 -36.27 79.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.91 0.777 . . . . 0.0 112.292 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -64.32 -38.8 92.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.873 1.269 . . . . 0.0 112.826 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.72 -48.26 72.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.763 1.165 . . . . 0.0 111.618 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.15 -37.14 74.1 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 112.144 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -54.31 18.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.075 0.95 . . . . 0.0 112.064 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.82 -25.76 43.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.996 1.719 . . . . 0.0 114.296 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.82 -26.07 13.38 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 168.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.98 -45.05 0.34 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.0 91.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 127.935 2.494 . . . . 0.0 109.728 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.48 -17.78 15.25 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -168.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -66.37 86.92 0.11 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.24 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 t -48.66 -45.68 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 113.834 -168.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -67.47 -40.11 85.29 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.2 t -67.03 -41.02 87.31 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.098 0.959 . . . . 0.0 111.481 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.23 -49.93 72.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.907 0.883 . . . . 0.0 111.865 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.81 -45.7 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.892 0.769 . . . . 0.0 111.637 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -55.32 -51.29 67.2 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.132 0.973 . . . . 0.0 111.678 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -62.26 -41.03 98.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.827 1.251 . . . . 0.0 112.363 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -58.3 -49.06 78.5 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.676 1.59 . . . . 0.0 112.323 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.42 -45.63 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.557 0.743 . . . . 0.0 110.888 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.03 -56.23 19.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.699 0.8 . . . . 0.0 110.831 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.85 -36.84 80.15 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.628 1.171 . . . . 0.0 113.49 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 99.1 m -67.1 -29.99 69.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.909 . . . . 0.0 112.868 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.479 1.006 0 C-N-CA 123.826 0.85 . . . . 0.0 112.643 -168.643 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 . . . . . 0 CA--C 1.542 0.662 0 CA-C-O 120.878 0.371 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -139.57 79.12 1.7 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.141 1.776 . . . . 0.0 109.785 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -64.98 150.94 47.15 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.995 -1.066 . . . . 0.0 113.316 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.46 131.16 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 127.416 2.287 . . . . 0.0 108.305 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -141.07 143.58 34.44 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.468 1.107 . . . . 0.0 111.635 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -164.32 -177.7 5.07 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.208 1.403 . . . . 0.0 111.887 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -129.9 142.31 50.67 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.35 1.46 . . . . 0.0 111.98 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.07 170.9 11.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.047 2.139 . . . . 0.0 111.488 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.6 m -82.62 161.74 22.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.304 1.042 . . . . 0.0 112.209 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -58.82 -55.56 33.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.202 1.001 . . . . 0.0 112.925 -173.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -68.23 -38.03 81.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.14 0.976 . . . . 0.0 111.84 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.21 -52.71 64.45 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.83 1.252 . . . . 0.0 111.803 174.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.42 -38.37 89.73 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.875 -0.516 . . . . 0.0 112.196 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.67 -41.63 95.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.289 0.95 . . . . 0.0 113.076 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -63.04 -47.48 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.526 -0.734 . . . . 0.0 111.114 172.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.22 -42.57 86.55 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 0.0 111.777 174.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.55 -41.78 99.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.848 1.259 . . . . 0.0 112.334 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.46 -50.93 69.49 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.654 1.115 . . . . 0.0 111.678 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.6 -31.77 73.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.144 0.578 . . . . 0.0 112.435 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.84 -58.57 5.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.472 0.709 . . . . 0.0 111.467 168.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.0 -26.27 47.86 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.641 1.576 . . . . 0.0 114.454 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -55.85 -27.7 52.89 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 169.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -143.63 -42.58 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -173.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -146.15 85.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 127.954 2.501 . . . . 0.0 108.194 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -18.9 42.04 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.607 2.076 . . . . 0.0 116.607 -169.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -67.19 87.31 0.16 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.639 1.576 . . . . 0.0 111.808 173.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.86 -39.69 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.48 1.512 . . . . 0.0 112.698 -174.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -55.29 -52.27 63.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.307 1.043 . . . . 0.0 113.244 172.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -64.41 -44.21 91.99 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.401 1.08 . . . . 0.0 111.656 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.51 -50.05 70.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.837 0.855 . . . . 0.0 112.668 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.89 -42.99 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.593 -0.692 . . . . 0.0 111.3 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -53.36 -49.61 66.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.156 0.983 . . . . 0.0 112.086 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -62.81 -45.7 91.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.489 1.516 . . . . 0.0 112.036 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.49 -49.12 70.9 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.542 1.137 . . . . 0.0 112.784 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.427 HD11 HD11 ' B' ' 57' ' ' ILE . 42.3 mt -65.54 -51.2 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.165 0.586 . . . . 0.0 109.962 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.52 -50.19 70.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.527 0.731 . . . . 0.0 111.605 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.6 m -80.53 -27.81 37.54 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.481 1.081 0 CA-C-N 119.164 0.893 . . . . 0.0 112.657 179.372 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.292 0.568 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.83 110.76 16.29 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.716 1.607 . . . . 0.0 109.994 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p -82.21 159.94 23.13 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -168.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -137.18 137.41 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.757 1.623 . . . . 0.0 108.63 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -155.57 125.76 6.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.37 1.068 . . . . 0.0 110.779 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -157.03 156.1 32.33 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.116 0.967 . . . . 0.0 112.638 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -81.19 138.69 35.82 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.532 -0.73 . . . . 0.0 112.127 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -110.54 -177.52 3.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.428 1.491 . . . . 0.0 109.363 154.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.3 t -121.4 174.0 7.02 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.762 1.625 . . . . 0.0 111.419 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.95 -47.62 74.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.636 1.574 . . . . 0.0 113.651 -162.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.37 -52.43 40.11 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -65.79 -35.88 81.94 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.326 -0.859 . . . . 0.0 112.555 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.06 -45.66 80.55 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 118.67 0.668 . . . . 0.0 111.147 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.75 -42.1 83.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.369 1.067 . . . . 0.0 112.743 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.38 -53.2 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.582 -0.699 . . . . 0.0 111.359 172.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.07 -36.11 80.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.82 0.736 . . . . 0.0 112.587 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.62 -43.45 98.77 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.963 1.705 . . . . 0.0 112.292 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -69.01 -44.66 72.32 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.696 0.798 . . . . 0.0 112.164 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.56 -35.9 77.17 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 175.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.59 -56.27 11.5 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.601 169.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.89 -27.55 31.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.345 1.458 . . . . 0.0 114.565 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.47 -25.41 25.12 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 170.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -141.22 -39.17 0.4 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.72 96.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 127.215 2.206 . . . . 0.0 109.241 -174.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.87 -14.57 15.86 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.6 t -67.48 88.64 0.21 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.07 1.348 . . . . 0.0 111.426 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.02 -37.4 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.299 1.04 . . . . 0.0 112.626 -172.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -61.75 -49.61 75.71 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -71.97 -33.08 67.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.336 0.971 . . . . 0.0 112.088 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -57.28 -48.77 78.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.028 0.931 . . . . 0.0 112.319 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.02 -44.84 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.51 0.724 . . . . 0.0 111.086 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.13 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.129 -0.982 . . . . 0.0 112.586 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -45.34 87.96 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.17 1.388 . . . . 0.0 111.754 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.84 -48.89 77.0 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.586 1.154 . . . . 0.0 112.369 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.427 HD11 HD11 ' A' ' 57' ' ' ILE . 58.1 mt -65.17 -45.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.477 0.711 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.93 -51.75 67.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.254 1.022 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -60.55 -36.99 79.78 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.797 1.239 . . . . 0.0 113.025 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.5 m -68.29 -29.62 68.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.251 1.02 . . . . 0.0 112.948 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -166.721 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 CA--C 1.534 0.363 0 CA-C-O 121.487 0.66 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -140.96 149.24 41.56 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.489 1.915 . . . . 0.0 110.041 -165.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.75 157.22 30.15 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.615 -0.678 . . . . 0.0 112.657 -165.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.4 t -139.4 131.66 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.245 1.418 . . . . 0.0 109.376 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 p -141.24 143.3 34.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.735 1.214 . . . . 0.0 111.123 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -165.44 -174.48 3.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.465 1.506 . . . . 0.0 111.473 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -125.23 146.18 49.64 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.811 1.244 . . . . 0.0 112.638 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.9 mt -122.77 160.47 25.89 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.06 1.744 . . . . 0.0 111.097 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 p -71.18 158.2 36.84 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.896 166.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.55 -41.6 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.771 -0.581 . . . . 0.0 111.994 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.26 -49.74 53.37 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.872 0.869 . . . . 0.0 112.546 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.75 -34.38 69.45 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.283 -0.886 . . . . 0.0 112.037 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -64.13 -43.62 94.68 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.538 171.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.43 -43.96 96.27 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.665 1.121 . . . . 0.0 112.648 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.93 -48.77 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.883 0.765 . . . . 0.0 111.262 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.9 -37.34 85.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.47 -38.51 91.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.059 1.344 . . . . 0.0 112.426 174.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -64.67 -49.95 68.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.896 1.279 . . . . 0.0 111.14 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -37.73 84.16 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.488 0.715 . . . . 0.0 111.98 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.8 68.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.977 0.911 . . . . 0.0 111.853 171.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.71 -31.72 64.77 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.458 1.026 . . . . 0.0 113.499 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.32 -8.66 19.19 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 170.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -141.14 -56.45 0.49 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.67 1.577 . . . . 0.0 114.475 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.72 94.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.98 2.912 . . . . 0.0 108.68 -173.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -10.37 8.89 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 -167.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -64.07 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.761 2.024 . . . . 0.0 112.633 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -47.17 -46.86 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 125.652 1.581 . . . . 0.0 114.406 -167.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -67.16 -33.05 74.59 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.959 -1.088 . . . . 0.0 113.366 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -73.34 -40.06 64.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 111.273 173.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -56.77 -45.97 81.78 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.654 0.781 . . . . 0.0 112.013 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -44.81 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.389 -0.82 . . . . 0.0 111.204 175.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -55.4 -46.86 76.56 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.386 0.994 . . . . 0.0 112.235 172.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -60.06 -47.45 85.82 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.666 1.587 . . . . 0.0 111.636 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -54.55 -46.72 73.7 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.524 1.53 . . . . 0.0 112.7 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.05 -48.21 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 123.605 0.762 . . . . 0.0 110.039 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tt -50.81 -59.16 4.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.874 0.87 . . . . 0.0 110.95 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -3.66 3.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 m -110.38 -10.97 14.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.144 1.378 . . . . 0.0 112.536 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 124.696 1.199 . . . . 0.0 112.508 176.435 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -128.15 104.3 7.68 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.764 1.625 . . . . 0.0 109.602 -170.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -74.8 160.87 30.16 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.03 136.42 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.717 1.607 . . . . 0.0 108.789 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.47 123.41 6.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 111.016 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -154.57 178.84 9.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.688 1.195 . . . . 0.0 112.932 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.45 150.51 50.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.603 1.561 . . . . 0.0 112.374 -172.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.06 177.22 8.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.749 2.819 . . . . 0.0 110.911 -169.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -92.1 158.08 16.39 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.388 1.075 . . . . 0.0 112.26 169.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.34 -51.47 68.14 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.351 1.06 . . . . 0.0 113.69 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -65.56 -40.11 92.43 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.627 0.771 . . . . 0.0 111.802 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -59.74 -49.39 77.9 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.099 1.36 . . . . 0.0 111.994 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.33 -44.15 97.17 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.922 -0.561 . . . . 0.0 111.424 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.45 -38.11 83.13 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.173 0.897 . . . . 0.0 113.386 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.68 -49.89 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.215 -0.928 . . . . 0.0 111.004 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.61 -37.31 80.99 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.137 0.88 . . . . 0.0 112.556 175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.4 -41.87 96.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.618 1.967 . . . . 0.0 112.378 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.82 -47.36 75.3 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.773 0.715 . . . . 0.0 111.468 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.2 -36.31 77.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.401 0.681 . . . . 0.0 112.095 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.81 -57.04 9.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.742 0.817 . . . . 0.0 111.51 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.92 -28.37 36.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.11 -20.97 60.86 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.496 1.518 . . . . 0.0 114.785 173.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -144.31 -45.37 0.25 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.2 91.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 128.273 2.629 . . . . 0.0 109.261 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -58.87 -20.2 48.95 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.1 m -66.84 92.87 0.24 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.615 1.566 . . . . 0.0 111.603 173.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.42 -39.66 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 125.039 1.336 . . . . 0.0 113.0 -172.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -57.28 -51.17 70.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.81 0.844 . . . . 0.0 113.001 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -64.89 -42.33 94.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.675 1.19 . . . . 0.0 111.835 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.67 -50.59 71.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 112.43 174.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.11 -43.27 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.735 0.698 . . . . 0.0 111.238 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.75 -50.03 69.39 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.289 0.949 . . . . 0.0 111.433 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.04 -43.56 98.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.195 1.398 . . . . 0.0 112.623 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -56.3 -47.63 78.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.135 1.374 . . . . 0.0 112.193 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.0 mt -65.71 -49.49 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tt -54.45 -50.96 66.46 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.508 0.723 . . . . 0.0 111.007 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -58.84 -40.75 85.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.332 1.053 . . . . 0.0 113.02 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.3 m -76.05 -27.07 57.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 119.568 1.076 . . . . 0.0 112.73 179.759 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -125.27 107.29 10.57 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.368 1.467 . . . . 0.0 110.151 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 p -78.94 159.84 27.52 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -169.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -138.03 134.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.48 1.512 . . . . 0.0 108.428 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -152.98 122.27 6.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.148 0.979 . . . . 0.0 111.189 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -155.54 -177.37 6.5 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.911 1.285 . . . . 0.0 112.425 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -122.94 152.85 40.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.363 1.465 . . . . 0.0 112.566 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -133.67 177.18 7.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.551 2.74 . . . . 0.0 109.19 173.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -105.82 168.95 8.77 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.632 1.173 . . . . 0.0 111.438 170.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -56.95 -42.97 81.03 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.913 1.285 . . . . 0.0 113.413 -166.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.82 -54.62 24.45 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.501 0.591 . . . . 0.0 112.554 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pm0 -63.95 -37.2 86.53 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.155 -0.966 . . . . 0.0 112.549 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -66.24 -41.55 89.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.114 0.87 . . . . 0.0 111.92 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.15 -42.26 94.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.334 1.054 . . . . 0.0 112.721 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.11 -50.34 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.342 0.657 . . . . 0.0 111.216 173.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.78 -42.61 97.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.845 0.748 . . . . 0.0 112.004 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -58.98 -47.01 86.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.144 1.378 . . . . 0.0 112.368 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -69.66 -43.97 71.47 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.772 0.715 . . . . 0.0 112.16 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.59 -32.15 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.277 0.631 . . . . 0.0 112.33 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 0.0 112.35 167.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.27 -31.59 65.74 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.314 1.046 . . . . 0.0 113.503 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.76 -21.46 65.85 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.5 -13.8 0.13 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 -169.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -135.92 -27.83 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 125.553 1.541 . . . . 0.0 113.118 -174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 65.17 0.5 1.3 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.841 2.164 . . . . 0.0 116.841 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.3 m -138.73 110.06 6.94 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.709 1.604 . . . . 0.0 110.235 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.13 -38.92 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.946 0.899 . . . . 0.0 112.787 -168.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -59.97 -49.51 77.4 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.385 -0.822 . . . . 0.0 112.699 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.16 -41.36 99.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.626 1.17 . . . . 0.0 111.539 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.09 -48.04 83.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.554 0.742 . . . . 0.0 112.382 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.37 -45.54 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 119.312 0.96 . . . . 0.0 111.802 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -38.66 87.92 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 120.588 1.54 . . . . 0.0 112.684 174.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.37 -40.67 93.82 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.984 1.314 . . . . 0.0 112.596 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -58.72 -48.97 79.32 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.592 1.557 . . . . 0.0 112.193 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.07 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.476 0.711 . . . . 0.0 110.743 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.5 -57.79 10.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.9 0.88 . . . . 0.0 111.25 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.17 -36.18 74.86 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.961 1.304 . . . . 0.0 113.538 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.0 m -68.15 -23.49 64.89 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.948 0.899 . . . . 0.0 113.073 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.479 0.978 0 C-N-CA 124.137 0.975 . . . . 0.0 112.449 -168.005 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -125.16 98.03 5.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.75 1.22 . . . . 0.0 110.135 -169.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.3 p -78.09 159.45 28.66 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.1 t -141.91 125.95 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.726 1.611 . . . . 0.0 108.844 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.4 p -143.01 137.0 29.0 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.466 1.106 . . . . 0.0 111.5 -176.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -165.62 -174.81 3.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.119 1.368 . . . . 0.0 112.187 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -126.06 152.68 45.49 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.662 1.585 . . . . 0.0 112.289 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -133.81 170.71 15.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.477 2.311 . . . . 0.0 110.326 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.7 t -78.76 158.74 28.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.568 0.747 . . . . 0.0 111.879 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.24 -52.05 67.35 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.717 1.207 . . . . 0.0 112.914 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.81 -37.76 79.44 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.863 0.465 . . . . 0.0 111.791 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.17 -51.94 67.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.93 1.292 . . . . 0.0 111.968 172.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.98 -38.44 91.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.292 0.637 . . . . 0.0 112.036 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.88 -39.26 93.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.7 -46.34 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.252 -0.905 . . . . 0.0 110.986 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.74 -40.05 86.79 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.533 0.606 . . . . 0.0 111.877 173.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.53 -40.47 97.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.378 . . . . 0.0 112.851 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.02 -47.29 80.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.279 0.945 . . . . 0.0 111.735 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -37.54 87.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.013 0.525 . . . . 0.0 111.682 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.14 82.7 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.949 0.899 . . . . 0.0 111.944 170.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.88 -32.38 69.44 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.037 -1.664 . . . . 0.0 113.082 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -66.24 -25.55 66.95 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -159.92 92.37 1.01 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.033 1.733 . . . . 0.0 113.094 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 t 70.61 85.7 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 127.155 2.182 . . . . 0.0 112.991 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -51.89 -30.59 24.74 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -170.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.5 m -60.06 92.62 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.581 1.552 . . . . 0.0 112.764 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.9 -41.32 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.997 1.319 . . . . 0.0 113.349 -166.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -64.9 -41.73 95.35 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.389 -0.819 . . . . 0.0 113.033 176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -70.68 -35.27 72.73 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.867 0.867 . . . . 0.0 112.056 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.71 -48.02 83.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.16 0.984 . . . . 0.0 112.04 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.32 -43.91 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.356 -0.84 . . . . 0.0 111.687 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -51.23 -51.7 51.49 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.354 1.062 . . . . 0.0 111.691 170.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -62.72 -42.89 99.88 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 112.565 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -55.18 -48.04 74.35 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.832 1.253 . . . . 0.0 112.405 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -46.66 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 mt -55.67 -50.29 70.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.318 0.647 . . . . 0.0 111.929 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.79 -38.04 83.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.773 0.829 . . . . 0.0 112.979 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.2 m -74.18 -32.7 63.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.805 0.842 . . . . 0.0 112.965 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 123.927 0.891 . . . . 0.0 113.265 -166.497 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 CA--C 1.542 0.64 0 CA-C-O 120.887 0.375 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.94 138.62 40.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.7 1.6 . . . . 0.0 109.456 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -119.46 155.86 31.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -162.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -136.57 124.77 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.196 1.398 . . . . 0.0 108.794 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -143.63 125.62 15.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.419 1.087 . . . . 0.0 111.375 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.89 -174.88 4.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.621 1.169 . . . . 0.0 112.649 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -130.69 152.11 50.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.687 1.595 . . . . 0.0 112.923 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.28 172.63 12.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.549 2.34 . . . . 0.0 110.638 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -77.01 158.02 30.83 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.214 1.005 . . . . 0.0 111.726 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.74 -47.5 82.27 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.626 1.17 . . . . 0.0 112.944 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.03 -42.32 80.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.995 0.518 . . . . 0.0 111.734 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -58.58 -49.9 75.76 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.48 0.712 . . . . 0.0 111.552 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.38 -40.17 96.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.171 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.87 -37.98 89.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.563 1.074 . . . . 0.0 113.253 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -62.05 -48.3 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 121.391 -0.818 . . . . 0.0 111.053 171.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.09 -41.02 91.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.704 0.684 . . . . 0.0 112.003 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -45.29 91.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.454 1.502 . . . . 0.0 112.408 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -65.11 -51.43 61.36 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.507 1.049 . . . . 0.0 111.315 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.2 tp -58.0 -37.85 75.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.27 1.028 . . . . 0.0 112.277 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -58.32 5.54 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.871 1.268 . . . . 0.0 111.555 170.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -54.98 -26.59 37.74 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.305 1.442 . . . . 0.0 114.824 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -55.16 -19.97 9.12 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 167.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -143.18 -33.01 0.45 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.1 t -148.6 95.21 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 128.259 2.624 . . . . 0.0 108.25 -169.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.87 -35.15 31.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.041 1.336 . . . . 0.0 114.141 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 m -69.74 86.67 0.49 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.631 1.572 . . . . 0.0 112.521 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.44 -43.6 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.996 1.718 . . . . 0.0 113.107 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -64.59 -39.23 93.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -73.1 -33.72 65.75 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.418 -0.801 . . . . 0.0 112.056 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -58.62 -46.06 87.89 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.935 -1.103 . . . . 0.0 111.831 166.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.16 -45.39 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.469 -0.769 . . . . 0.0 111.601 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -51.47 -50.91 58.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.176 0.99 . . . . 0.0 111.712 171.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.51 -43.52 98.72 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.213 1.405 . . . . 0.0 112.659 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.75 -47.25 77.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.82 1.248 . . . . 0.0 112.505 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.38 -51.04 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.118 0.567 . . . . 0.0 109.969 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.72 -51.54 62.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.392 0.677 . . . . 0.0 111.925 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -35.33 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.153 1.381 . . . . 0.0 113.254 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 m -81.6 -38.39 26.13 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.691 0.796 . . . . 0.0 112.563 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mm . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 124.551 1.14 . . . . 0.0 112.77 -172.008 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 . . . . . 0 CA--C 1.54 0.583 0 CA-C-O 121.407 0.622 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.14 112.09 16.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.906 1.683 . . . . 0.0 110.333 -173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 18.2 p -87.25 159.2 18.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -166.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.64 123.57 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.336 1.454 . . . . 0.0 108.437 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.5 p -143.69 125.31 14.95 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.321 1.048 . . . . 0.0 111.673 -171.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.44 -178.51 7.19 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.227 1.011 . . . . 0.0 113.259 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -123.96 155.22 38.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.102 1.761 . . . . 0.0 112.961 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.5 mt -143.05 174.35 10.76 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 128.915 2.886 . . . . 0.0 110.343 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -84.23 158.8 21.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.789 1.236 . . . . 0.0 111.703 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.29 -48.69 76.14 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.31 1.044 . . . . 0.0 113.516 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.41 -38.44 81.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.939 0.496 . . . . 0.0 112.26 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -62.42 -49.02 77.13 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.672 -0.642 . . . . 0.0 111.456 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -63.01 -38.17 90.13 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.983 -0.448 . . . . 0.0 112.16 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.19 -43.13 96.13 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.874 0.761 . . . . 0.0 112.534 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.82 -46.83 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.31 0.959 . . . . 0.0 111.54 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.29 -44.14 95.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.409 1.004 . . . . 0.0 111.961 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -60.7 -41.54 95.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 112.514 175.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -64.81 -49.6 70.0 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.176 1.39 . . . . 0.0 111.75 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.39 -34.68 77.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.061 0.945 . . . . 0.0 112.298 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.14 20.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.39 0.676 . . . . 0.0 111.755 170.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.47 -24.9 48.91 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.514 1.925 . . . . 0.0 114.39 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.6 -21.45 2.58 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 166.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -136.14 -50.47 0.7 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.556 1.542 . . . . 0.0 113.503 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.58 108.36 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.568 2.747 . . . . 0.0 108.653 -175.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.01 71.3 0.09 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.205 1.802 . . . . 0.0 113.685 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.4 m -143.39 74.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.281 2.232 . . . . 0.0 110.199 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.86 -38.41 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.531 1.132 . . . . 0.0 113.162 -172.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -56.83 -52.99 62.91 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.017 0.927 . . . . 0.0 113.079 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.8 t -65.79 -42.21 91.01 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.544 1.138 . . . . 0.0 111.66 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -56.78 -50.83 71.13 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.547 1.139 . . . . 0.0 112.158 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.67 -43.05 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.533 0.606 . . . . 0.0 111.408 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.74 -54.69 34.49 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.97 0.805 . . . . 0.0 112.004 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -68.46 -34.14 75.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -54.07 -48.51 70.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.35 1.06 . . . . 0.0 111.842 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.34 -48.08 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.357 0.663 . . . . 0.0 110.679 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.24 -14.72 52.49 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -110.47 10.47 23.23 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.696 1.998 . . . . 0.0 113.359 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -131.47 -39.26 1.15 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.278 1.031 . . . . 0.0 113.549 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 N--CA 1.479 0.991 0 C-N-CA 124.245 1.018 . . . . 0.0 111.304 168.131 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -129.29 111.06 12.48 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.027 1.731 . . . . 0.0 109.727 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 p -81.85 158.09 24.16 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -166.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.85 125.93 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.612 1.565 . . . . 0.0 108.833 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 p -143.69 121.12 11.67 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.192 0.997 . . . . 0.0 111.838 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.91 -172.17 4.1 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.345 1.058 . . . . 0.0 112.697 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.84 151.55 48.18 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.729 1.612 . . . . 0.0 112.718 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.68 173.81 10.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.375 2.27 . . . . 0.0 110.217 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -82.05 156.54 24.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.115 0.966 . . . . 0.0 111.748 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -55.48 -52.81 62.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.292 1.037 . . . . 0.0 113.568 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.72 -40.84 88.57 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.98 0.512 . . . . 0.0 112.049 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -58.41 -52.12 66.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.103 0.961 . . . . 0.0 111.763 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -62.22 -40.87 97.54 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.018 0.527 . . . . 0.0 111.999 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -42.15 98.82 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.6 -48.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.228 -0.92 . . . . 0.0 110.836 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.29 -35.14 76.51 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.714 -0.616 . . . . 0.0 112.224 175.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -63.93 -43.73 95.02 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.334 1.454 . . . . 0.0 112.555 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -66.14 -44.45 84.14 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.16 0.891 . . . . 0.0 111.847 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.69 -37.08 80.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.02 0.528 . . . . 0.0 112.348 173.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.37 76.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.791 0.837 . . . . 0.0 112.625 172.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.96 -33.31 71.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.694 1.134 . . . . 0.0 112.516 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.99 -10.6 58.31 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 171.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -136.46 -48.4 0.64 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -165.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -142.25 -7.82 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.843 1.657 . . . . 0.0 114.879 -169.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 69.93 6.21 5.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.6 p -147.56 133.81 19.48 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.895 -1.128 . . . . 0.0 113.355 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -69.05 -38.85 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.915 0.886 . . . . 0.0 112.265 -169.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -68.39 -38.11 81.01 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 112.671 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.418 0.687 . . . . 0.0 111.489 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.87 -42.76 90.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.773 0.829 . . . . 0.0 112.876 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -43.21 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 121.323 -0.861 . . . . 0.0 111.969 172.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.65 -40.66 92.82 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.816 -1.178 . . . . 0.0 111.643 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.56 -44.76 95.53 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.246 1.418 . . . . 0.0 112.583 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -54.63 -40.84 69.37 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.351 1.061 . . . . 0.0 112.289 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -68.83 -43.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.058 -1.026 . . . . 0.0 110.99 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.54 -8.63 14.62 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.93 -24.64 13.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.921 1.688 . . . . 0.0 114.431 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -128.36 -10.02 5.2 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -168.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 126.818 2.047 . . . . 0.0 110.682 173.042 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.18 109.1 12.45 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.379 1.472 . . . . 0.0 110.14 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 25.5 p -82.87 158.09 22.83 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -166.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -140.42 122.42 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 108.532 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.8 p -142.97 121.7 12.61 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.19 0.996 . . . . 0.0 112.113 -170.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -157.1 -173.24 4.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -129.33 148.71 51.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.601 1.56 . . . . 0.0 112.532 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -127.9 172.78 10.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.617 2.367 . . . . 0.0 110.666 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -80.15 160.93 25.52 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.963 0.905 . . . . 0.0 111.871 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.55 -52.48 64.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.282 1.033 . . . . 0.0 112.9 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.53 -40.01 85.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.852 0.461 . . . . 0.0 111.53 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.06 -53.4 57.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.936 1.294 . . . . 0.0 111.9 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.48 -38.1 88.78 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.341 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.84 -42.97 99.95 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.798 1.181 . . . . 0.0 113.14 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.78 -46.79 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.495 -0.753 . . . . 0.0 110.718 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.24 -39.13 85.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.686 0.675 . . . . 0.0 112.304 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.61 -40.78 98.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.917 1.287 . . . . 0.0 112.288 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -63.71 -51.65 64.07 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.146 0.978 . . . . 0.0 111.816 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -32.56 74.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.586 0.754 . . . . 0.0 112.482 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -55.45 14.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.064 0.946 . . . . 0.0 111.47 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.83 -27.77 44.7 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.512 1.525 . . . . 0.0 114.219 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.03 -26.08 24.6 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -143.2 -44.16 0.29 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -147.07 88.36 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.133 2.573 . . . . 0.0 109.645 -174.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.18 -16.12 12.35 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -170.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -65.94 84.5 0.08 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.113 1.765 . . . . 0.0 112.001 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.413 HG23 ' H ' ' B' ' 49' ' ' VAL . 3.1 t -51.8 -39.68 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.429 1.492 . . . . 0.0 113.172 -174.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -62.89 -42.1 99.65 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 175.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -66.14 -42.68 88.78 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.242 1.017 . . . . 0.0 111.426 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.3 -46.33 79.83 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.885 0.874 . . . . 0.0 112.548 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.88 -44.99 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.404 -0.81 . . . . 0.0 111.648 174.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.64 -44.16 72.96 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 0.0 112.39 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -65.2 -44.52 88.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.56 1.544 . . . . 0.0 112.349 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -53.99 -49.57 68.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.692 0.797 . . . . 0.0 111.862 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.84 -51.71 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.642 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 51.0 tp -54.91 -53.57 53.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.152 0.981 . . . . 0.0 111.847 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.34 -37.72 88.38 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 58.3 m -70.86 -37.76 73.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.316 0.646 . . . . 0.0 112.209 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.6 mt . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 173.805 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 121.775 0.798 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -141.87 147.06 36.53 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.646 1.978 . . . . 0.0 109.887 -165.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.04 157.34 26.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -164.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -137.65 125.07 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.082 1.353 . . . . 0.0 109.09 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -141.68 126.6 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.641 1.176 . . . . 0.0 111.895 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -158.25 -173.4 4.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.603 1.161 . . . . 0.0 112.13 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.93 152.51 45.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.478 1.511 . . . . 0.0 112.069 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.81 173.8 10.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.965 2.106 . . . . 0.0 110.022 172.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -81.15 157.7 25.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.952 0.901 . . . . 0.0 111.589 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.71 -49.72 74.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.073 0.949 . . . . 0.0 113.198 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.99 -42.04 94.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.429 0.692 . . . . 0.0 111.632 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.31 -48.0 81.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.406 1.082 . . . . 0.0 112.242 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.06 -39.77 94.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.029 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.74 -45.27 92.69 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.668 1.122 . . . . 0.0 112.997 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.83 -52.01 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.243 0.617 . . . . 0.0 110.85 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.14 -34.24 77.19 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 112.796 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.47 -41.78 96.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.286 1.434 . . . . 0.0 112.438 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.9 ttp-105 -68.91 -45.33 71.15 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.035 0.934 . . . . 0.0 112.572 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.49 -36.09 77.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.756 0.822 . . . . 0.0 112.34 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.32 31.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.016 0.926 . . . . 0.0 111.71 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -54.88 -27.28 41.5 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 114.255 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -54.26 -25.63 24.47 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 169.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -142.58 -45.19 0.32 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.18 87.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 127.858 2.463 . . . . 0.0 109.833 -173.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.78 -18.23 11.97 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -169.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -66.08 86.8 0.1 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.629 1.572 . . . . 0.0 112.073 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.33 -41.3 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 125.302 1.441 . . . . 0.0 113.687 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -67.46 -31.48 71.68 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.015 -1.053 . . . . 0.0 113.203 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 t -75.84 -33.38 60.04 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.801 0.84 . . . . 0.0 111.614 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.65 -40.64 95.64 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.007 -1.058 . . . . 0.0 112.264 167.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.9 -43.09 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.43 -46.49 76.69 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.158 -0.964 . . . . 0.0 111.926 172.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.53 -47.58 84.99 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.893 1.277 . . . . 0.0 112.072 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -51.79 -44.9 63.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.359 1.064 . . . . 0.0 112.261 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.48 -49.17 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.737 0.815 . . . . 0.0 111.165 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.37 -12.31 13.65 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.388 1.475 . . . . 0.0 114.718 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -119.09 9.04 11.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.213 1.805 . . . . 0.0 114.13 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -137.25 -41.36 0.57 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 N--CA 1.481 1.104 0 CA-C-N 119.242 0.928 . . . . 0.0 110.421 169.703 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -128.26 108.06 10.29 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.367 1.467 . . . . 0.0 109.949 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -80.36 158.7 25.96 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -166.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -138.75 128.76 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.975 1.71 . . . . 0.0 108.193 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.5 119.62 6.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.052 0.941 . . . . 0.0 111.761 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -153.56 178.75 9.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.529 1.132 . . . . 0.0 113.131 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -126.38 151.03 48.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.654 1.581 . . . . 0.0 112.605 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -138.91 -174.21 3.78 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 128.758 2.823 . . . . 0.0 109.795 -177.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -101.2 158.35 16.09 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.898 1.279 . . . . 0.0 111.699 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.63 -53.53 55.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.652 0.781 . . . . 0.0 112.645 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.63 -38.33 87.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.981 0.512 . . . . 0.0 112.237 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.91 -50.13 72.08 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.487 0.715 . . . . 0.0 112.051 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -63.39 -36.97 85.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.595 0.634 . . . . 0.0 112.29 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.9 -50.58 72.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.588 1.555 . . . . 0.0 111.657 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -59.78 -44.43 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 121.324 -0.86 . . . . 0.0 111.686 174.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.06 -39.24 77.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.93 0.786 . . . . 0.0 111.579 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 117.453 -1.26 . . . . 0.0 112.831 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -63.5 -49.55 73.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 121.081 1.764 . . . . 0.0 111.834 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.41 -33.06 74.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.393 0.677 . . . . 0.0 112.181 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -53.22 32.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.564 0.745 . . . . 0.0 111.739 168.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -22.83 52.43 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.439 1.896 . . . . 0.0 114.269 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -50.77 -23.38 2.68 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 164.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.61 -44.85 0.54 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.422 1.489 . . . . 0.0 114.073 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -167.93 108.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 128.023 2.529 . . . . 0.0 108.521 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.32 -12.77 9.97 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -167.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -58.09 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.326 1.851 . . . . 0.0 113.048 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.78 -42.1 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.399 1.08 . . . . 0.0 112.992 -167.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.9 -44.31 73.45 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 79.4 p -72.2 -31.22 65.68 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.108 0.867 . . . . 0.0 112.203 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -58.34 -49.27 77.81 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.787 0.835 . . . . 0.0 112.114 166.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.73 -44.34 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.47 -0.769 . . . . 0.0 111.401 175.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -53.73 -49.93 67.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.259 0.936 . . . . 0.0 111.839 172.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -62.25 -42.22 99.13 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.009 1.324 . . . . 0.0 112.575 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -57.1 -49.37 76.09 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.868 0.867 . . . . 0.0 112.329 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.13 -48.83 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.076 0.951 . . . . 0.0 110.76 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.44 -53.92 44.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.881 1.273 . . . . 0.0 111.606 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.53 -30.09 71.26 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.41 1.484 . . . . 0.0 113.724 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.2 m -73.11 -41.83 63.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.203 0.601 . . . . 0.0 111.756 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.3 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.11 0.564 . . . . 0.0 112.054 -172.084 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 . . . . . 0 CA--C 1.54 0.57 0 CA-C-O 121.388 0.613 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -120.33 110.09 16.13 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.544 1.937 . . . . 0.0 109.519 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 p -74.98 156.89 35.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -138.04 132.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.383 1.473 . . . . 0.0 108.733 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -154.88 126.26 7.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.471 1.108 . . . . 0.0 110.652 -172.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -158.77 162.01 37.04 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.935 0.894 . . . . 0.0 112.798 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.67 140.96 29.05 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 112.379 170.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.0 mt -117.75 -178.51 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.939 2.096 . . . . 0.0 109.385 161.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -121.63 174.58 6.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.138 1.775 . . . . 0.0 111.677 172.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.01 -49.59 73.26 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.82 1.648 . . . . 0.0 113.184 -162.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.25 -55.72 25.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.822 0.737 . . . . 0.0 112.536 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 pm0 -63.39 -39.2 93.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.495 -0.753 . . . . 0.0 112.317 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.59 -42.22 91.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.684 0.674 . . . . 0.0 111.529 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.08 -39.27 92.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.067 0.849 . . . . 0.0 112.852 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -47.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.183 0.901 . . . . 0.0 110.876 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.51 -47.31 86.03 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.057 0.844 . . . . 0.0 111.955 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -54.34 -48.17 71.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.224 1.81 . . . . 0.0 112.358 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -67.59 -49.49 62.89 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.223 1.409 . . . . 0.0 112.107 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.77 -30.55 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.14 0.576 . . . . 0.0 112.236 177.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.38 16.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.667 0.667 . . . . 0.0 111.284 167.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.83 -30.04 60.77 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.233 1.413 . . . . 0.0 114.37 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.51 -17.85 24.57 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -142.13 -50.39 0.39 Allowed 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.168 1.349 . . . . 0.0 114.545 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -148.86 95.19 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.496 2.318 . . . . 0.0 108.149 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.02 -8.06 4.77 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -171.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.4 t -65.54 84.63 0.07 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.39 . . . . 0.0 111.733 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 t -56.18 -39.66 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.523 1.129 . . . . 0.0 112.73 -171.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -63.91 -40.94 97.66 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.039 -1.038 . . . . 0.0 113.271 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.6 t -66.87 -44.29 81.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.197 0.999 . . . . 0.0 111.368 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -57.45 -46.94 83.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.366 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.64 -42.24 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.186 0.994 . . . . 0.0 111.418 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.34 -48.15 79.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.33 0.968 . . . . 0.0 111.952 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -64.5 -39.56 94.01 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -56.13 -48.63 75.87 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.559 1.144 . . . . 0.0 111.786 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.91 -45.29 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 124.401 1.081 . . . . 0.0 111.338 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.47 -53.25 54.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.248 0.619 . . . . 0.0 111.595 172.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -61.14 -49.09 78.64 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.26 1.024 . . . . 0.0 112.646 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.7 p -69.95 -30.26 67.59 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 119.312 0.96 . . . . 0.0 111.13 169.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 CA--C 1.543 0.692 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -132.32 76.7 1.71 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.547 1.139 . . . . 0.0 111.871 -165.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -66.1 150.18 49.13 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.253 -0.904 . . . . 0.0 113.436 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.29 133.61 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.607 2.363 . . . . 0.0 108.81 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.0 p -142.72 140.84 31.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.673 1.189 . . . . 0.0 112.634 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -168.68 -167.33 0.76 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.433 1.893 . . . . 0.0 111.221 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -128.26 153.45 46.95 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.478 1.511 . . . . 0.0 112.452 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 99.6 mt -130.32 179.7 5.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.9 2.08 . . . . 0.0 109.74 168.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.3 m -89.26 149.97 22.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.868 0.867 . . . . 0.0 111.562 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -44.82 -54.24 6.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.016 1.726 . . . . 0.0 114.869 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -71.75 -36.39 70.41 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -61.27 -47.23 86.95 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.694 0.798 . . . . 0.0 111.439 170.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -61.99 -37.9 86.58 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.183 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.39 -40.04 95.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.991 0.916 . . . . 0.0 113.433 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.43 -45.92 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.097 -1.002 . . . . 0.0 110.674 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.9 -31.59 72.62 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.122 0.873 . . . . 0.0 113.348 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -58.89 -50.68 73.11 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.075 1.307 . . . . 0.0 111.037 168.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.04 -48.57 81.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.943 0.792 . . . . 0.0 112.601 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.51 -36.58 84.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.484 0.714 . . . . 0.0 112.504 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.69 73.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.752 0.706 . . . . 0.0 111.973 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -57.06 -29.77 63.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.647 1.112 . . . . 0.0 113.021 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.49 -29.37 70.49 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -153.19 2.12 0.28 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 -168.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -144.7 -37.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.861 1.665 . . . . 0.0 113.093 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 69.8 4.37 4.72 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.098 2.159 . . . . 0.0 115.25 -174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.3 m -144.12 115.24 7.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.368 1.467 . . . . 0.0 111.462 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.39 -37.96 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.589 0.756 . . . . 0.0 112.861 -172.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -56.2 -51.25 68.73 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.054 0.843 . . . . 0.0 112.4 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -70.99 -30.61 66.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.861 0.865 . . . . 0.0 112.222 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.54 -45.47 86.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 120.99 -1.069 . . . . 0.0 112.827 171.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.75 -38.37 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.262 -0.899 . . . . 0.0 110.856 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.89 -52.88 55.9 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.078 0.854 . . . . 0.0 111.828 166.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.2 -48.2 76.86 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.219 1.008 . . . . 0.0 112.067 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -54.45 -42.99 71.24 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.286 1.434 . . . . 0.0 112.943 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.46 -51.3 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.038 0.935 . . . . 0.0 110.821 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.12 -36.01 76.52 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.18 -8.01 35.01 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.908 1.448 . . . . 0.0 114.908 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.1 m -124.27 -39.28 2.35 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.545 1.138 . . . . 0.0 112.503 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 38.4 mm . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 124.865 1.266 . . . . 0.0 112.742 178.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -130.64 113.25 13.96 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.287 1.435 . . . . 0.0 110.198 -172.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 p -88.5 159.92 17.73 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -168.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -138.08 124.4 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.339 1.455 . . . . 0.0 108.561 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.3 p -142.98 129.87 20.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.803 1.241 . . . . 0.0 111.755 -174.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -159.23 -175.41 5.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.805 1.242 . . . . 0.0 111.898 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -125.3 155.69 39.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.245 1.418 . . . . 0.0 112.443 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt -133.85 169.43 17.08 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.656 2.382 . . . . 0.0 109.926 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -78.31 159.73 28.26 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.485 0.714 . . . . 0.0 111.414 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -59.42 -51.41 70.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.636 1.174 . . . . 0.0 113.038 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.38 -39.67 81.68 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.893 0.477 . . . . 0.0 111.813 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.21 -50.8 72.28 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.217 1.407 . . . . 0.0 112.026 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.94 -41.87 99.63 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.377 0.671 . . . . 0.0 111.673 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.7 -38.07 89.74 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.4 -47.35 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 110.973 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.38 -37.31 85.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.21 0.914 . . . . 0.0 112.538 173.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.61 -48.38 81.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.874 1.27 . . . . 0.0 111.653 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.54 -47.01 88.05 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.403 1.002 . . . . 0.0 111.714 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.0 -34.76 76.78 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.758 0.823 . . . . 0.0 112.659 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.98 -43.09 55.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 112.968 171.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -55.8 -36.82 67.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.51 1.524 . . . . 0.0 112.139 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.46 -21.6 64.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -154.36 -12.89 0.13 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 118.237 2.681 . . . . 0.0 118.237 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -133.97 -21.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.417 1.487 . . . . 0.0 113.36 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 70.77 3.35 4.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.846 1.658 . . . . 0.0 114.842 173.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 t -151.69 125.2 8.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.3 1.44 . . . . 0.0 111.426 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.76 -45.47 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.884 0.873 . . . . 0.0 111.662 -175.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.04 -35.14 76.26 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.399 -0.813 . . . . 0.0 112.327 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -65.08 -45.34 85.68 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.687 0.676 . . . . 0.0 111.375 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.57 -45.1 85.59 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.312 1.045 . . . . 0.0 112.514 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.94 -49.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.566 0.746 . . . . 0.0 111.814 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -55.46 -48.19 74.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.233 0.924 . . . . 0.0 111.978 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -58.93 -44.79 91.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.965 1.306 . . . . 0.0 112.203 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -56.91 -46.76 81.76 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.02 0.928 . . . . 0.0 112.704 174.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.085 0.554 . . . . 0.0 110.402 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.69 -54.13 50.35 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.549 0.613 . . . . 0.0 111.61 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -42.44 49.74 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.315 1.446 . . . . 0.0 113.14 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 m -87.02 -33.41 19.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.878 0.871 . . . . 0.0 111.318 -177.373 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 . . . . . 0 CA--C 1.542 0.656 0 CA-C-O 121.151 0.501 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.35 109.2 10.57 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.124 1.77 . . . . 0.0 109.517 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 52.3 p -81.05 158.98 24.91 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -167.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -135.44 131.95 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.794 1.638 . . . . 0.0 108.077 174.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -151.72 128.04 10.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.212 1.005 . . . . 0.0 111.797 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -159.11 179.62 8.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.034 1.334 . . . . 0.0 112.597 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -127.93 147.11 50.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.606 1.562 . . . . 0.0 112.225 -177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.65 172.95 11.86 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.226 2.21 . . . . 0.0 110.731 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -81.05 157.85 25.29 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.605 1.162 . . . . 0.0 111.13 174.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -57.12 -48.39 78.77 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.618 0.767 . . . . 0.0 112.943 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.11 -36.5 82.05 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -62.84 -50.89 69.17 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.419 0.688 . . . . 0.0 110.745 174.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -63.33 -37.43 87.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.18 -41.87 99.27 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.24 0.927 . . . . 0.0 113.008 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.03 -49.38 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.675 -0.641 . . . . 0.0 111.001 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.33 -44.17 88.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.634 0.652 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.99 -43.66 95.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.976 1.311 . . . . 0.0 112.279 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.26 -51.59 62.84 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.293 0.951 . . . . 0.0 111.903 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -36.89 79.98 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.476 0.71 . . . . 0.0 111.665 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -60.9 2.48 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.685 1.194 . . . . 0.0 111.673 170.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.48 -20.98 34.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.603 1.561 . . . . 0.0 114.664 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -48.59 -28.04 3.18 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 164.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.58 -21.59 0.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -147.71 94.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 127.876 2.471 . . . . 0.0 108.394 -173.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.4 -35.32 38.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.708 1.203 . . . . 0.0 114.048 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -70.43 88.37 0.66 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.695 1.598 . . . . 0.0 112.639 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 t -51.01 -41.04 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.503 1.521 . . . . 0.0 113.069 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -67.67 -37.13 81.93 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -68.95 -39.69 79.39 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.93 0.892 . . . . 0.0 111.478 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -57.24 -44.39 83.78 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.58 -0.7 . . . . 0.0 112.114 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -45.25 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.288 -0.882 . . . . 0.0 111.994 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -53.76 -46.82 71.07 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.319 0.963 . . . . 0.0 111.823 173.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -62.49 -45.32 93.55 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.052 1.341 . . . . 0.0 112.563 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.26 -35.44 69.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.473 1.509 . . . . 0.0 113.367 175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.43 -47.5 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.806 0.842 . . . . 0.0 110.622 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.54 -30.4 68.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.809 0.843 . . . . 0.0 112.975 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -64.92 78.04 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.444 1.897 . . . . 0.0 112.992 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.6 28.21 5.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.408 1.483 . . . . 0.0 114.785 159.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 tt . . . . . 0 N--CA 1.483 1.192 0 O-C-N 120.578 -1.326 . . . . 0.0 112.424 162.859 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 121.343 0.592 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -126.87 110.55 13.17 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.578 1.951 . . . . 0.0 109.312 -173.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.7 p -80.62 157.21 26.05 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -166.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.22 131.38 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.746 1.618 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -143.59 136.52 27.58 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.724 1.21 . . . . 0.0 111.442 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -165.28 -170.67 1.95 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.099 1.36 . . . . 0.0 112.199 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -126.98 151.32 48.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.009 1.724 . . . . 0.0 112.599 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -130.45 170.83 13.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.116 2.166 . . . . 0.0 110.672 173.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -82.15 162.13 22.57 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.193 0.997 . . . . 0.0 112.557 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -56.28 -58.76 6.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.79 1.236 . . . . 0.0 113.344 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.21 -35.97 71.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.406 0.682 . . . . 0.0 111.887 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.48 -53.7 54.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.69 1.196 . . . . 0.0 111.779 173.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.42 -43.22 95.06 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.83 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.57 -40.23 93.99 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.22 -47.7 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.948 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.02 -39.13 88.6 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.331 0.969 . . . . 0.0 112.257 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -42.13 96.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.522 1.529 . . . . 0.0 112.751 172.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.5 -49.64 68.24 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.448 1.022 . . . . 0.0 111.79 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.6 -33.35 74.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.11 0.964 . . . . 0.0 112.332 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -60.72 2.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.612 0.765 . . . . 0.0 111.208 168.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -54.23 -27.53 35.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.369 1.468 . . . . 0.0 114.783 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.55 -26.56 32.87 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -141.54 -35.65 0.45 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.94 91.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 128.301 2.641 . . . . 0.0 109.557 -173.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.66 50.44 0.05 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 127.453 2.301 . . . . 0.0 116.483 -177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -145.85 95.51 2.65 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.928 2.491 . . . . 0.0 109.814 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -59.82 -40.99 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.729 0.812 . . . . 0.0 111.695 -173.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -64.31 -40.17 95.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.576 -0.703 . . . . 0.0 112.707 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -64.61 -45.9 84.95 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.741 0.701 . . . . 0.0 111.351 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -59.43 -45.35 91.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.042 0.937 . . . . 0.0 113.056 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.43 -47.79 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.426 -0.796 . . . . 0.0 111.37 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -53.15 -46.31 68.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.708 0.803 . . . . 0.0 111.775 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -62.23 -45.39 93.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.197 1.799 . . . . 0.0 112.469 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.01 -49.44 71.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.692 1.197 . . . . 0.0 112.221 173.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' B' ' 57' ' ' ILE . 57.5 mt -62.92 -50.96 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.727 0.811 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.35 -53.85 53.49 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.793 1.237 . . . . 0.0 111.893 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.27 -29.1 70.49 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.8 m -71.93 -42.81 66.22 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.272 0.487 . . . . 0.0 111.606 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.71 0.804 . . . . 0.0 112.146 -179.397 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 121.245 0.545 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -119.34 106.23 12.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.803 1.641 . . . . 0.0 109.938 -173.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 24.5 p -78.67 158.65 28.32 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.98 132.32 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.294 1.437 . . . . 0.0 109.427 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.0 p -143.9 135.2 25.77 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 111.307 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -162.84 -175.12 4.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.778 1.231 . . . . 0.0 112.462 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.53 152.3 37.2 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.853 1.661 . . . . 0.0 112.275 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.26 171.63 12.28 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.248 2.219 . . . . 0.0 110.054 171.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -77.42 161.44 27.98 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.137 0.575 . . . . 0.0 111.744 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.96 -54.13 48.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.103 . . . . 0.0 112.762 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -33.82 73.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.859 0.463 . . . . 0.0 112.031 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.62 -53.61 55.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.244 1.417 . . . . 0.0 111.855 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -60.64 -40.9 93.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.639 -0.663 . . . . 0.0 111.738 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.64 -45.8 91.14 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.74 -37.52 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.291 0.95 . . . . 0.0 112.165 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.05 -38.9 92.75 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.372 0.987 . . . . 0.0 111.682 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttp-105 -63.21 -40.47 97.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.853 0.861 . . . . 0.0 111.961 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -62.73 -46.52 87.7 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.838 1.199 . . . . 0.0 112.197 174.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.81 -33.16 73.63 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.969 0.908 . . . . 0.0 112.389 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.8 20.63 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.579 0.752 . . . . 0.0 111.729 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -55.54 -22.68 22.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.025 2.13 . . . . 0.0 114.921 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -49.19 -23.09 1.17 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.52 -39.16 0.22 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -157.19 101.65 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.783 2.433 . . . . 0.0 109.423 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.03 78.68 0.49 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 123.099 1.428 . . . . 0.0 113.423 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -147.95 82.74 1.51 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.403 1.881 . . . . 0.0 111.659 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 m -51.3 -36.93 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -58.83 -53.02 63.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.694 0.798 . . . . 0.0 112.208 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -45.7 83.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.182 0.993 . . . . 0.0 111.703 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.62 -48.9 79.87 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.023 0.929 . . . . 0.0 112.638 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.61 -41.55 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.669 -0.644 . . . . 0.0 111.433 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -56.77 -45.16 82.27 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.665 1.12 . . . . 0.0 112.087 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -64.04 -43.11 96.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.793 1.237 . . . . 0.0 112.646 174.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -54.36 -49.61 69.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 111.955 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 57' ' ' ILE . 61.9 mt -63.28 -49.95 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.994 0.917 . . . . 0.0 110.661 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -53.92 -56.23 19.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.353 0.661 . . . . 0.0 111.118 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.99 -39.51 92.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.133 . . . . 0.0 113.464 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -72.25 -28.02 62.88 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 N--CA 1.474 0.751 0 C-N-CA 123.868 0.867 . . . . 0.0 111.194 170.471 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m120 . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -127.49 105.63 8.63 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.277 1.431 . . . . 0.0 110.238 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.2 p -77.73 156.73 30.43 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -140.45 134.21 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.503 1.521 . . . . 0.0 108.857 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.98 119.51 5.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.052 0.941 . . . . 0.0 110.642 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -156.3 156.53 34.15 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 25' ' ' SER . 7.6 m-85 -82.51 147.04 28.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.412 1.085 . . . . 0.0 112.963 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.35 170.34 13.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.963 2.105 . . . . 0.0 110.693 170.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -81.3 163.16 23.13 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.955 0.902 . . . . 0.0 112.267 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -59.8 -58.85 6.79 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.789 0.836 . . . . 0.0 112.92 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.56 -34.61 77.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.371 0.668 . . . . 0.0 112.083 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.74 -52.56 64.94 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -63.71 -38.7 92.1 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.409 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.21 -46.31 86.08 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.669 1.122 . . . . 0.0 112.522 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.05 -48.67 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.926 0.89 . . . . 0.0 110.985 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.44 -37.33 77.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.908 0.777 . . . . 0.0 112.19 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -64.58 -44.99 88.94 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.664 1.186 . . . . 0.0 112.119 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.32 79.82 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 112.153 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -33.46 74.71 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.73 -49.43 62.63 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.709 0.686 . . . . 0.0 111.936 169.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.39 -29.06 63.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.404 1.082 . . . . 0.0 113.336 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -27.1 68.53 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.39 -11.3 0.1 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 118.222 2.675 . . . . 0.0 118.222 -167.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -134.48 -25.56 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.72 1.608 . . . . 0.0 113.177 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 69.21 6.32 5.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.532 1.933 . . . . 0.0 115.636 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 t -150.37 136.15 18.33 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.974 -1.079 . . . . 0.0 112.458 168.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.74 -41.08 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.574 0.75 . . . . 0.0 112.444 -167.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -73.4 -37.13 66.06 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.214 0.915 . . . . 0.0 113.119 -175.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 p -71.32 -36.55 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.071 0.85 . . . . 0.0 111.899 171.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.8 -49.0 78.1 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.822 0.737 . . . . 0.0 112.103 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.21 -40.31 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.82 0.848 . . . . 0.0 111.741 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.13 -52.59 62.8 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.74 1.155 . . . . 0.0 111.865 171.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -63.31 -39.92 95.9 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.13 0.972 . . . . 0.0 112.664 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.93 -50.64 71.97 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.916 1.287 . . . . 0.0 111.929 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.435 HG12 HD11 ' B' ' 57' ' ' ILE . 74.5 mt -65.27 -44.41 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 111.231 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 tp -53.89 -57.9 9.24 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.654 0.781 . . . . 0.0 110.402 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.42 -34.46 73.99 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.416 1.086 . . . . 0.0 113.586 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -69.37 -26.0 64.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.12 0.968 . . . . 0.0 113.494 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.483 1.201 0 CA-C-N 119.53 1.059 . . . . 0.0 113.372 -176.007 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -125.22 99.92 6.3 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.254 1.422 . . . . 0.0 110.612 -171.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 15.9 t -79.45 152.38 30.32 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -132.97 130.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.674 1.99 . . . . 0.0 108.415 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -139.05 128.0 23.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.619 1.168 . . . . 0.0 111.856 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -161.81 -172.57 3.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.207 -170.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -131.12 150.49 52.12 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.711 1.604 . . . . 0.0 112.069 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.31 177.62 7.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.14 2.176 . . . . 0.0 110.029 171.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.3 m -87.78 158.23 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.576 1.15 . . . . 0.0 111.911 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -53.8 -54.25 40.95 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.43 1.092 . . . . 0.0 113.49 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.54 -38.31 84.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.778 0.431 . . . . 0.0 112.064 -175.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.68 -51.33 69.85 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.87 0.868 . . . . 0.0 111.775 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -62.41 -39.28 92.74 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.199 0.599 . . . . 0.0 112.021 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.76 -39.97 91.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.93 -45.62 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.203 0.91 . . . . 0.0 110.927 172.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.65 -39.88 89.96 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.692 -0.63 . . . . 0.0 111.577 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -61.68 -36.95 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.251 1.02 . . . . 0.0 112.739 171.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -63.98 -52.1 61.2 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.714 1.143 . . . . 0.0 111.595 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.14 -29.0 70.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.493 0.717 . . . . 0.0 112.416 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.65 41.72 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.519 0.728 . . . . 0.0 111.749 166.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.63 -20.18 54.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.502 1.921 . . . . 0.0 114.464 -178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -50.17 -19.77 0.85 Allowed 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 161.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -148.77 -39.3 0.16 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.64 107.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 127.288 2.235 . . . . 0.0 109.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.42 -9.48 34.38 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -164.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 p -58.54 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.687 1.595 . . . . 0.0 113.575 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.88 -45.41 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.713 1.205 . . . . 0.0 113.126 -164.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -64.36 -43.84 93.26 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -65.91 -40.3 91.37 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.956 0.902 . . . . 0.0 112.13 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -58.74 -50.51 73.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.075 0.95 . . . . 0.0 112.091 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.68 -42.4 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.926 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -54.56 -52.21 62.82 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.839 1.2 . . . . 0.0 111.504 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.07 -47.49 85.66 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.479 1.112 . . . . 0.0 112.452 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -57.5 -45.43 84.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.212 1.405 . . . . 0.0 112.385 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 57' ' ' ILE . 19.3 mm -75.48 -40.61 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.288 1.035 . . . . 0.0 111.417 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.51 -51.83 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.074 0.852 . . . . 0.0 110.729 170.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.54 -49.22 73.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.832 0.853 . . . . 0.0 112.489 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -63.17 -39.28 94.19 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.006 0.922 . . . . 0.0 112.836 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.471 0.617 0 C-N-CA 124.536 1.134 . . . . 0.0 112.014 178.612 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 120.166 0.031 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -137.15 163.57 30.52 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 126.058 1.743 . . . . 0.0 111.743 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -139.31 150.0 44.9 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.525 1.93 . . . . 0.0 109.795 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -118.5 102.14 8.68 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.587 1.555 . . . . 0.0 109.557 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 p -74.33 160.43 31.07 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.0 t -138.57 134.75 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.575 1.55 . . . . 0.0 108.596 175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 t -153.49 125.55 7.9 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -157.97 -179.47 8.17 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 0.0 112.974 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -126.13 154.81 42.62 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.073 1.749 . . . . 0.0 112.725 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -143.87 170.45 15.87 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.188 2.595 . . . . 0.0 111.046 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.5 m -78.8 161.48 26.78 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.766 1.226 . . . . 0.0 111.939 173.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -54.5 -53.15 58.16 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.092 0.957 . . . . 0.0 112.305 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mp0 -68.35 -38.27 81.29 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.915 1.286 . . . . 0.0 111.934 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -61.82 -49.75 75.04 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.681 0.793 . . . . 0.0 111.469 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.45 -37.9 87.69 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.029 -0.419 . . . . 0.0 112.097 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.6 -35.11 79.41 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.06 -48.46 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.453 1.024 . . . . 0.0 110.491 169.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.24 -41.73 93.76 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.795 0.725 . . . . 0.0 112.109 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -57.98 -47.39 83.12 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.463 1.505 . . . . 0.0 112.567 174.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -63.78 -50.61 68.31 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.127 0.876 . . . . 0.0 111.489 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.14 -35.45 77.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.373 0.669 . . . . 0.0 112.11 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 -59.86 3.7 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 111.479 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.42 -27.64 49.14 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.38 -21.34 49.9 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 171.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -142.58 -42.4 0.32 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -148.01 91.06 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 128.28 2.632 . . . . 0.0 109.622 -171.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.55 47.72 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.977 2.511 . . . . 0.0 116.906 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.9 t -142.2 91.84 2.38 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.989 2.516 . . . . 0.0 109.369 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 -40.31 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.123 0.969 . . . . 0.0 112.506 -168.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -61.57 -46.39 90.09 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.426 -0.796 . . . . 0.0 113.057 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -65.3 -44.04 89.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.388 0.675 . . . . 0.0 111.392 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.81 -47.16 80.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.347 1.059 . . . . 0.0 112.461 173.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.23 -44.86 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 118.999 0.818 . . . . 0.0 111.244 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.33 -45.64 84.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.654 1.115 . . . . 0.0 111.676 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -59.79 -46.9 87.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.173 1.389 . . . . 0.0 112.511 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -55.83 -49.69 72.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.672 1.589 . . . . 0.0 111.918 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.2 mt -62.26 -50.48 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.9 0.88 . . . . 0.0 110.437 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.0 tp -54.97 -55.89 25.75 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.114 0.565 . . . . 0.0 111.445 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -62.99 -38.64 91.96 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.133 0.973 . . . . 0.0 113.312 -176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.5 p -72.04 -27.85 62.97 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.39 -48.78 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.032 0.833 . . . . 0.0 111.189 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.6 tt -158.83 156.08 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 124.801 1.24 . . . . 0.0 111.67 -175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -144.42 142.19 30.15 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.812 1.245 . . . . 0.0 110.414 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 48.24 43.07 18.62 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.998 2.119 . . . . 0.0 113.463 -172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -61.52 163.6 6.73 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.566 1.546 . . . . 0.0 113.578 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.32 -1.62 21.84 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.811 1.196 . . . . 0.0 115.054 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.7 p -68.41 -41.67 80.08 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.788 1.294 . . . . 0.0 112.947 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -161.26 165.19 29.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.504 1.922 . . . . 0.0 111.125 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -150.77 167.1 28.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.267 1.427 . . . . 0.0 112.05 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -149.48 176.3 10.73 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.278 1.431 . . . . 0.0 111.232 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.9 p -143.19 6.78 1.54 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.231 1.813 . . . . 0.0 114.046 -177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 t -143.6 177.26 8.61 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.718 1.607 . . . . 0.0 112.301 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.7 pt -140.09 164.4 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.697 1.999 . . . . 0.0 111.892 -174.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 125.226 1.411 . . . . 0.0 113.706 175.09 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -64.34 168.91 5.12 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.987 1.315 . . . . 0.0 112.206 169.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -127.27 151.38 48.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.816 1.647 . . . . 0.0 110.376 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -129.44 137.53 50.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.338 1.855 . . . . 0.0 110.227 -172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -116.26 156.72 26.1 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -165.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -138.51 129.09 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.977 1.311 . . . . 0.0 109.111 -176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -141.58 136.07 30.7 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.737 1.215 . . . . 0.0 111.66 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.31 -172.64 3.05 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.315 1.446 . . . . 0.0 111.531 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -127.08 149.47 49.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.937 1.295 . . . . 0.0 112.936 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 79.8 mt -124.75 162.84 23.38 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.025 2.13 . . . . 0.0 110.359 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -78.71 159.8 27.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.456 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -52.8 -49.24 66.01 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.065 0.946 . . . . 0.0 112.61 -176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -71.98 -44.91 62.76 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.308 0.643 . . . . 0.0 112.464 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.73 -37.08 79.18 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.38 -0.825 . . . . 0.0 111.984 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.51 -43.9 88.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.845 -0.534 . . . . 0.0 111.615 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.48 -40.87 96.11 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.421 1.01 . . . . 0.0 113.399 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -60.41 -49.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 121.471 -0.768 . . . . 0.0 110.76 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.97 -31.87 73.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.005 0.82 . . . . 0.0 113.011 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -63.0 -43.69 98.09 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.605 1.093 . . . . 0.0 111.792 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.45 -48.44 77.71 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.559 1.072 . . . . 0.0 111.942 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.82 -36.45 79.08 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.998 0.919 . . . . 0.0 112.387 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.13 -54.05 24.96 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.833 0.853 . . . . 0.0 111.761 170.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.18 -27.56 46.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.673 1.589 . . . . 0.0 114.24 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -55.91 -25.83 44.71 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 170.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -142.47 -45.72 0.32 Allowed 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.94 87.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.843 2.457 . . . . 0.0 109.572 -174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.95 -15.59 9.38 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -66.51 91.66 0.18 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.278 1.431 . . . . 0.0 111.717 173.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 t -57.82 -42.95 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.632 1.173 . . . . 0.0 113.11 -168.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -66.37 -35.27 79.91 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.225 -0.922 . . . . 0.0 112.795 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -67.78 -41.6 82.98 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.698 0.681 . . . . 0.0 111.773 171.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.29 -44.2 88.39 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.169 -0.957 . . . . 0.0 112.421 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.45 -46.3 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.509 -0.745 . . . . 0.0 111.817 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -52.74 -49.66 65.01 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.125 0.875 . . . . 0.0 111.59 172.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -61.01 -43.13 99.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.478 1.511 . . . . 0.0 112.34 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -56.14 -48.18 76.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.491 1.116 . . . . 0.0 112.432 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.9 mt -65.76 -50.18 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.116 0.567 . . . . 0.0 110.497 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.89 -55.23 28.72 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.389 0.676 . . . . 0.0 111.292 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.23 -36.43 70.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.236 1.015 . . . . 0.0 113.056 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -71.79 -44.15 64.48 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.457 0.703 . . . . 0.0 112.139 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 23.5 mm -78.18 -36.9 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.408 1.083 . . . . 0.0 112.768 -174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -152.39 143.11 15.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 124.728 1.211 . . . . 0.0 112.158 -171.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -134.25 4.53 3.46 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -144.33 41.19 1.36 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.672 1.589 . . . . 0.0 112.048 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -55.1 136.76 47.86 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.995 1.318 . . . . 0.0 111.14 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.04 -38.68 95.69 Favored Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.148 0.819 . . . . 0.0 115.148 -169.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.62 154.68 40.05 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.527 1.131 . . . . 0.0 111.098 -176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -142.6 45.35 1.61 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.517 1.527 . . . . 0.0 112.76 -168.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -58.43 161.25 4.59 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.092 1.357 . . . . 0.0 113.985 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -139.35 160.19 40.4 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.164 1.786 . . . . 0.0 111.125 172.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 80.2 p -138.77 10.4 2.65 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -172.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 11.7 t -63.05 149.25 45.54 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.219 1.008 . . . . 0.0 112.465 177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 1.5 pp -141.93 163.3 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.264 1.825 . . . . 0.0 112.284 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.971 1.308 . . . . 0.0 112.469 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 119.907 -0.092 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -142.21 36.8 1.54 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.467 1.507 . . . . 0.0 112.976 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -66.74 125.74 26.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.422 2.289 . . . . 0.0 111.232 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -126.75 108.43 11.05 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.532 1.933 . . . . 0.0 109.919 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 p -76.88 159.05 30.34 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -171.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.3 t -137.44 134.28 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.558 1.543 . . . . 0.0 108.472 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -153.97 124.99 7.3 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.388 1.075 . . . . 0.0 111.23 -172.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -157.69 179.0 9.64 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.291 1.036 . . . . 0.0 113.09 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -125.07 150.76 46.47 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.707 1.603 . . . . 0.0 112.783 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.06 178.95 6.79 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 128.13 2.572 . . . . 0.0 110.543 -174.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.1 t -88.25 156.63 19.1 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.926 1.29 . . . . 0.0 111.48 170.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -54.52 -44.5 72.81 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.594 1.158 . . . . 0.0 112.758 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.6 -42.18 95.73 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.177 0.591 . . . . 0.0 112.161 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.78 -49.32 73.41 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.826 0.85 . . . . 0.0 111.429 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -62.65 -40.19 96.25 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.614 -0.679 . . . . 0.0 111.829 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.04 -48.03 82.07 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.012 0.925 . . . . 0.0 113.063 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.78 -37.97 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.812 1.187 . . . . 0.0 112.28 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.3 mt -59.03 -45.92 89.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.089 0.859 . . . . 0.0 111.262 170.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -62.07 -36.59 82.12 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 118.061 -0.971 . . . . 0.0 112.665 174.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.8 -51.95 62.45 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.438 1.472 . . . . 0.0 111.195 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.73 -32.61 71.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.543 0.737 . . . . 0.0 112.445 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.44 -53.61 27.46 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.443 0.697 . . . . 0.0 111.966 168.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.01 -25.13 63.4 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.608 1.963 . . . . 0.0 114.265 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -55.26 -16.44 3.32 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 166.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.91 -54.46 0.54 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.922 1.289 . . . . 0.0 113.764 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.1 t -153.25 101.32 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 128.122 2.569 . . . . 0.0 107.686 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.55 -13.87 16.63 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -170.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -57.77 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.591 1.956 . . . . 0.0 113.126 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.5 t -56.83 -39.2 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.647 1.179 . . . . 0.0 112.636 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -56.86 -51.64 68.24 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.787 0.835 . . . . 0.0 112.995 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -64.83 -46.73 80.69 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.644 1.178 . . . . 0.0 111.583 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -56.78 -49.5 75.13 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 112.338 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.79 -45.04 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.615 0.766 . . . . 0.0 111.334 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.35 -49.79 66.38 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.711 1.141 . . . . 0.0 112.121 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -65.71 -41.99 91.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.225 1.41 . . . . 0.0 112.627 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -56.2 -48.43 76.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.351 1.461 . . . . 0.0 112.442 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.425 HD11 HD11 ' B' ' 57' ' ' ILE . 72.4 mt -63.26 -51.39 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.957 0.903 . . . . 0.0 110.469 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -54.04 -54.6 36.99 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.809 0.843 . . . . 0.0 111.249 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -58.22 -44.78 88.34 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.134 0.973 . . . . 0.0 112.494 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 69.4 m -64.45 -39.02 93.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.111 0.565 . . . . 0.0 111.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.3 mt -69.1 -44.61 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.576 0.75 . . . . 0.0 111.316 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 tt -151.29 127.11 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 122.458 1.123 . . . . 0.0 112.622 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -89.29 53.91 2.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.454 1.502 . . . . 0.0 111.74 -176.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -134.73 100.45 4.62 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 126.569 1.947 . . . . 0.0 109.844 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.57 122.17 24.37 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.465 1.906 . . . . 0.0 109.946 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.38 -30.38 0.42 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.657 1.123 . . . . 0.0 114.152 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 m -62.99 -26.14 68.71 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.32 1.448 . . . . 0.0 113.283 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -138.23 167.97 20.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.359 1.863 . . . . 0.0 111.084 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.15 36.83 1.92 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.898 1.279 . . . . 0.0 112.897 -172.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -54.94 108.98 0.46 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.274 1.429 . . . . 0.0 113.191 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 98.1 p -145.31 8.34 1.19 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.226 1.41 . . . . 0.0 114.103 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.3 m -62.58 153.43 32.06 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.268 1.427 . . . . 0.0 113.428 -176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.3 tp -56.71 127.98 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.347 1.059 . . . . 0.0 111.909 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 126.315 1.846 . . . . 0.0 110.989 -177.362 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.264 19.5 ptpt . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -76.1 -20.09 57.98 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -128.64 147.16 50.72 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 125.807 1.643 . . . . 0.0 112.006 -172.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -141.32 148.84 40.39 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.517 2.327 . . . . 0.0 109.728 -169.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.67 157.07 30.4 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -166.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -138.36 133.37 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.956 1.303 . . . . 0.0 109.641 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.4 p -141.89 141.73 33.04 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.054 1.341 . . . . 0.0 111.519 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -165.71 -172.85 2.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.751 1.62 . . . . 0.0 111.171 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -125.82 154.87 41.99 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.273 1.429 . . . . 0.0 112.224 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -132.9 175.12 9.63 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 127.132 2.173 . . . . 0.0 109.24 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 82.9 p -78.95 157.69 28.14 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 122.864 0.466 . . . . 0.0 111.506 171.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.5 -40.45 62.41 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.553 0.741 . . . . 0.0 112.403 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -65.86 -49.76 66.98 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.089 0.556 . . . . 0.0 111.677 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.37 -49.27 78.24 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.645 0.778 . . . . 0.0 110.992 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -64.77 -38.2 90.19 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.165 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.87 -44.33 93.38 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.375 0.989 . . . . 0.0 112.87 173.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.77 -49.43 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.712 -0.617 . . . . 0.0 111.256 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.18 -33.23 75.52 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.73 -0.606 . . . . 0.0 112.619 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -63.17 -47.09 84.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.509 1.049 . . . . 0.0 111.744 173.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -60.37 -47.08 87.59 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.506 1.048 . . . . 0.0 111.531 174.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.24 -36.63 82.59 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 112.747 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.31 -45.51 62.89 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.173 0.989 . . . . 0.0 112.355 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.1 -26.43 66.21 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.664 1.186 . . . . 0.0 113.21 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.04 -29.14 67.06 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.16 -10.39 0.14 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 118.227 2.677 . . . . 0.0 118.227 -166.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.39 -29.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 126.245 1.818 . . . . 0.0 112.846 -175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 65.9 9.32 6.01 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.285 1.834 . . . . 0.0 115.857 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.5 m -143.49 111.37 6.06 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.893 1.677 . . . . 0.0 110.489 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.17 -42.85 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.501 0.72 . . . . 0.0 112.37 -169.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -69.23 -40.3 78.01 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 88.8 p -72.37 -33.71 67.43 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.135 0.879 . . . . 0.0 112.244 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -58.08 -46.75 84.95 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.91 0.777 . . . . 0.0 111.986 167.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.71 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.316 -0.865 . . . . 0.0 111.881 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -55.12 -46.48 75.61 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.094 -1.004 . . . . 0.0 112.139 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -60.9 -45.75 93.36 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.882 1.273 . . . . 0.0 112.118 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -54.07 -47.61 71.5 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.983 1.313 . . . . 0.0 112.413 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 57' ' ' ILE . 29.7 mt -66.75 -49.72 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 123.205 0.602 . . . . 0.0 110.578 178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.8 -47.27 83.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.075 0.95 . . . . 0.0 111.716 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.17 -40.48 85.74 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.315 1.046 . . . . 0.0 112.454 176.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 39.2 m -73.25 -15.13 61.43 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 34.0 mm -119.69 -29.22 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 O-C-N 120.993 -1.067 . . . . 0.0 112.673 -173.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 22.1 mm -130.09 65.79 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 127.339 2.255 . . . . 0.0 108.709 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -58.47 -31.4 67.77 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.459 1.504 . . . . 0.0 114.385 -178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -159.12 119.16 3.11 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.839 1.655 . . . . 0.0 110.453 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -134.58 14.36 3.72 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.78 1.632 . . . . 0.0 113.849 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 55.49 -160.9 6.03 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.912 1.244 . . . . 0.0 113.831 -171.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 27.2 p -69.98 154.84 41.43 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.793 -0.828 . . . . 0.0 111.717 167.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -141.6 15.52 2.16 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.228 1.411 . . . . 0.0 111.874 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.75 169.47 24.65 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.676 1.99 . . . . 0.0 111.687 -173.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -149.57 145.62 26.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.06 1.344 . . . . 0.0 111.501 172.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 80.7 p -145.29 10.87 1.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.077 1.751 . . . . 0.0 113.483 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -63.0 152.05 37.97 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.297 1.039 . . . . 0.0 113.313 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 19.1 tt -62.78 149.09 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 125.118 1.367 . . . . 0.0 112.591 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.259 0 C-N-CA 125.976 1.711 . . . . 0.0 111.444 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt . . . . . 0 N--CA 1.498 1.953 0 N-CA-C 111.036 0.013 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -140.03 157.94 44.85 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.208 1.803 . . . . 0.0 111.377 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -136.35 150.19 48.73 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.705 1.602 . . . . 0.0 110.908 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -137.89 144.57 41.41 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.556 1.942 . . . . 0.0 109.872 -168.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.68 159.52 23.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.867 0.842 . . . . 0.0 112.922 -165.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.85 131.91 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.382 1.473 . . . . 0.0 108.18 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -153.2 121.89 6.39 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.275 1.03 . . . . 0.0 111.764 -171.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -158.24 -172.39 3.87 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.63 1.572 . . . . 0.0 112.18 -173.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.74 152.17 48.08 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.609 1.564 . . . . 0.0 112.735 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -133.95 178.05 7.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.086 2.154 . . . . 0.0 109.497 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.9 m -83.66 151.91 25.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.573 0.749 . . . . 0.0 111.11 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -46.76 -46.98 20.83 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.463 1.505 . . . . 0.0 113.751 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -68.52 -42.18 78.88 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.045 0.938 . . . . 0.0 112.26 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.15 -47.68 83.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.242 0.617 . . . . 0.0 111.02 172.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -59.94 -42.71 94.59 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.791 -0.568 . . . . 0.0 112.331 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.66 -46.43 89.06 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.282 1.033 . . . . 0.0 112.606 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.43 -50.14 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 O-C-N 121.606 -0.684 . . . . 0.0 111.538 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.66 -39.44 84.44 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.535 0.734 . . . . 0.0 112.142 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -63.52 -44.21 94.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.118 1.367 . . . . 0.0 112.381 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -64.68 -45.84 84.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.86 0.755 . . . . 0.0 111.797 174.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -36.84 82.33 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.108 0.563 . . . . 0.0 111.865 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.7 -49.15 69.58 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.637 0.775 . . . . 0.0 112.069 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -58.27 -30.17 66.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.457 1.026 . . . . 0.0 113.469 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -64.43 -21.39 66.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -154.08 -11.68 0.14 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 118.239 2.681 . . . . 0.0 118.239 -170.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -136.55 -30.22 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 125.772 1.629 . . . . 0.0 112.991 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 64.79 6.94 3.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.72 2.008 . . . . 0.0 116.081 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -142.38 105.87 4.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.743 1.617 . . . . 0.0 110.33 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -60.76 -40.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 123.964 0.906 . . . . 0.0 112.665 -169.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -57.34 -53.75 54.6 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.361 1.064 . . . . 0.0 112.443 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.2 m -63.15 -40.45 97.6 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.095 0.958 . . . . 0.0 111.789 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -60.09 -50.26 74.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.056 0.943 . . . . 0.0 112.309 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 118.969 0.804 . . . . 0.0 111.059 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -54.47 -50.22 68.25 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -66.15 -39.62 89.94 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.777 1.231 . . . . 0.0 112.907 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.27 -47.92 77.62 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.754 1.222 . . . . 0.0 112.218 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -64.39 -48.77 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.444 0.698 . . . . 0.0 110.355 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.95 -56.91 12.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.645 0.778 . . . . 0.0 111.308 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.87 -41.72 87.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.062 1.345 . . . . 0.0 113.075 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.1 m -66.48 -40.34 89.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.062 0.545 . . . . 0.0 111.739 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.39 -40.66 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.068 0.947 . . . . 0.0 112.002 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.8 tt -150.57 129.28 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 122.602 1.192 . . . . 0.0 112.407 -177.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -90.39 58.29 3.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.122 1.369 . . . . 0.0 111.271 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -141.71 101.38 3.96 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.83 1.652 . . . . 0.0 110.876 -174.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -61.78 167.07 3.88 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.063 1.745 . . . . 0.0 112.453 172.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.7 -36.27 0.02 OUTLIER Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.145 0.818 . . . . 0.0 115.145 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 p -138.94 154.2 48.3 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.031 1.332 . . . . 0.0 111.991 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -78.1 168.54 19.71 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.953 0.901 . . . . 0.0 111.685 168.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -60.85 143.76 54.14 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.991 0.917 . . . . 0.0 111.821 172.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -149.08 158.38 44.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.54 1.536 . . . . 0.0 111.075 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.5 t -162.26 109.79 1.34 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.488 1.515 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.0 m -71.13 -5.08 28.96 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.92 131.78 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.113 1.365 . . . . 0.0 110.207 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.076 1.351 . . . . 0.0 113.429 178.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 63.4 tttm . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -82.64 -13.42 56.49 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 115.618 1.711 . . . . 0.0 115.618 -169.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -74.69 117.21 16.27 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.001 1.72 . . . . 0.0 111.006 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -123.5 112.88 18.01 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.516 1.926 . . . . 0.0 109.983 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -81.05 156.81 25.66 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 128.39 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.381 1.472 . . . . 0.0 108.839 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 50.5 p -142.06 144.75 33.73 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.395 1.078 . . . . 0.0 111.425 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -163.78 178.81 7.55 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.91 1.284 . . . . 0.0 112.257 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -127.06 152.55 47.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.293 1.437 . . . . 0.0 112.791 -175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -140.66 178.52 7.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.325 2.65 . . . . 0.0 110.267 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.8 m -92.87 159.58 15.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.9 1.28 . . . . 0.0 111.26 172.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.1 -48.2 76.62 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.85 0.86 . . . . 0.0 113.207 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -65.06 -41.94 94.67 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.108 0.563 . . . . 0.0 111.962 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -60.22 -48.3 82.31 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.497 0.719 . . . . 0.0 111.63 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.32 -37.55 85.64 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.97 -42.31 99.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.255 0.934 . . . . 0.0 112.915 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.12 -47.58 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.425 0.69 . . . . 0.0 111.072 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.89 -40.61 89.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.608 0.64 . . . . 0.0 112.241 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.95 -45.09 95.21 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.56 1.144 . . . . 0.0 112.037 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.38 -50.68 68.93 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.107 0.867 . . . . 0.0 111.847 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 47.1 tp -58.28 -38.65 77.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.613 1.165 . . . . 0.0 112.265 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.13 -58.83 3.84 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.662 1.185 . . . . 0.0 111.726 171.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.29 -21.83 50.44 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.184 1.394 . . . . 0.0 114.598 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.56 -29.38 6.87 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 164.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -142.06 -27.3 0.64 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.3 t -149.25 94.85 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 127.945 2.498 . . . . 0.0 108.226 -168.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.95 -27.75 46.09 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -79.76 107.39 12.5 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.938 0.895 . . . . 0.0 111.344 172.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.14 -39.87 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.132 0.973 . . . . 0.0 111.704 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -72.74 -34.54 67.12 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.23 -0.919 . . . . 0.0 112.895 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.4 t -68.46 -38.93 81.55 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.987 0.812 . . . . 0.0 111.543 172.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -57.79 -46.14 85.05 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.887 0.875 . . . . 0.0 112.34 169.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.46 -46.31 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.27 0.941 . . . . 0.0 111.629 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -53.79 -49.72 67.66 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.631 0.772 . . . . 0.0 111.84 172.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -59.28 -44.94 92.42 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.55 1.14 . . . . 0.0 112.143 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.08 -49.26 74.31 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.108 1.363 . . . . 0.0 112.464 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.85 -47.97 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.356 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 78.4 mt -58.42 -53.03 62.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.048 0.539 . . . . 0.0 111.796 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -60.9 -25.12 66.5 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.4 m -80.69 -18.34 48.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.188 0.995 . . . . 0.0 113.129 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.8 -26.61 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 O-C-N 121.143 -0.973 . . . . 0.0 113.106 -165.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 39.3 mm -125.58 131.37 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.632 1.973 . . . . 0.0 109.504 -171.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -134.09 0.85 3.19 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -171.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -144.5 103.21 3.93 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.136 1.774 . . . . 0.0 110.436 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -143.19 175.35 9.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.872 1.669 . . . . 0.0 112.239 172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.4 169.64 53.06 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.198 0.904 . . . . 0.0 114.003 173.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 20.3 p -68.05 -23.93 65.02 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -59.64 150.96 25.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.507 1.523 . . . . 0.0 114.214 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.75 174.57 14.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.063 2.145 . . . . 0.0 111.381 176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -145.99 151.11 37.25 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.625 1.17 . . . . 0.0 111.977 174.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 81.1 p -147.49 9.44 0.93 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.539 1.936 . . . . 0.0 113.598 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.1 t -58.91 142.13 51.63 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.509 1.124 . . . . 0.0 113.09 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 9.5 tp -154.49 153.96 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.853 1.661 . . . . 0.0 110.822 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 125.836 1.655 . . . . 0.0 111.832 177.824 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mptt . . . . . 0 N--CA 1.5 2.071 0 CA-C-O 120.244 0.069 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 149.23 48.74 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.33 1.052 . . . . 0.0 111.64 173.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -146.44 156.29 43.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.416 1.886 . . . . 0.0 110.367 173.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' B' ' 35' ' ' HIS . 20.7 m-85 -126.79 124.53 39.9 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.561 1.545 . . . . 0.0 109.454 -172.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 p -94.68 161.14 14.31 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.51 135.97 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.334 1.453 . . . . 0.0 108.842 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.83 123.0 5.92 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.384 1.074 . . . . 0.0 111.215 -173.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -154.21 166.71 32.28 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.267 1.027 . . . . 0.0 112.872 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -100.24 154.77 18.19 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.494 1.118 . . . . 0.0 112.405 174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.52 163.43 29.42 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 127.837 2.455 . . . . 0.0 110.22 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -70.51 153.25 43.12 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.322 1.049 . . . . 0.0 110.586 163.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.68 -38.95 57.22 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.653 0.781 . . . . 0.0 112.41 169.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.33 -52.8 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.075 0.55 . . . . 0.0 112.428 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.77 -35.05 76.58 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.433 -0.792 . . . . 0.0 112.028 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' B' ' 24' ' ' PHE . 66.3 t-80 -62.38 -45.62 92.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.73 172.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.93 -44.87 94.08 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.044 0.838 . . . . 0.0 112.337 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.18 -52.19 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.053 0.842 . . . . 0.0 111.075 174.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.84 -39.64 85.82 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -61.86 -47.17 86.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.444 1.098 . . . . 0.0 112.421 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.97 -41.75 86.32 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.834 1.197 . . . . 0.0 111.799 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.41 -37.81 84.82 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.3 -49.24 64.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.781 0.832 . . . . 0.0 112.53 171.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.98 -27.68 67.05 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.277 1.031 . . . . 0.0 113.145 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.16 -27.2 68.79 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 173.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -151.71 -9.61 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 118.155 2.65 . . . . 0.0 118.155 -169.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -136.46 -33.07 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 125.525 1.53 . . . . 0.0 112.965 -176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 63.17 10.91 4.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 126.36 1.864 . . . . 0.0 115.969 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.6 m -140.68 99.57 3.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.165 1.786 . . . . 0.0 109.977 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.95 -40.03 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 124.2 1.0 . . . . 0.0 112.814 -168.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -60.73 -47.32 86.8 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.046 0.839 . . . . 0.0 112.594 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -66.18 -41.98 89.52 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.588 1.155 . . . . 0.0 111.79 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -58.1 -46.46 85.49 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.579 0.752 . . . . 0.0 112.385 172.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.47 -43.58 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 119.171 0.896 . . . . 0.0 111.477 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.7 -50.54 68.05 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.425 1.011 . . . . 0.0 111.363 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -61.05 -44.08 97.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.762 1.625 . . . . 0.0 112.779 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -57.59 -48.12 80.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.577 1.551 . . . . 0.0 112.011 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.31 -46.33 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.383 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.52 -54.65 41.34 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.037 0.835 . . . . 0.0 111.487 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -57.91 -39.72 78.61 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.313 1.445 . . . . 0.0 113.21 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.2 p -82.2 -26.22 33.53 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 mm -79.0 -38.76 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.304 1.042 . . . . 0.0 112.091 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.9 tt -148.83 144.06 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 124.009 0.924 . . . . 0.0 112.474 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -121.45 29.6 7.15 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.642 1.577 . . . . 0.0 112.437 -167.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -68.55 26.44 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 127.663 2.385 . . . . 0.0 116.438 -174.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -59.7 156.63 13.44 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.046 1.738 . . . . 0.0 112.56 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.94 -32.46 0.19 Allowed Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.054 0.835 . . . . 0.0 114.77 176.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.1 m -141.2 148.04 39.33 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.308 1.443 . . . . 0.0 110.25 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -62.82 129.97 42.82 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.104 0.962 . . . . 0.0 112.032 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -155.61 153.03 29.46 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.528 1.531 . . . . 0.0 109.983 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.97 140.36 55.72 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.794 0.837 . . . . 0.0 112.84 171.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.6 t -159.16 65.8 0.4 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.0 1.32 . . . . 0.0 110.346 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.6 p -159.68 168.83 25.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.165 1.786 . . . . 0.0 111.805 -172.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.6 pt -136.45 169.52 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 125.684 1.594 . . . . 0.0 111.793 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.816 1.646 . . . . 0.0 113.775 179.15 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 tptt . . . . . 0 N--CA 1.499 1.992 0 CA-C-O 119.547 -0.263 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 150.17 37.5 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.792 0.837 . . . . 0.0 111.49 172.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -127.77 140.8 51.83 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.449 1.499 . . . . 0.0 110.698 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.439 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 26.1 m-85 -136.0 122.1 20.23 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.73 2.012 . . . . 0.0 109.584 -172.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.57 153.61 17.63 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.47 -0.769 . . . . 0.0 112.294 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -133.85 129.63 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.815 2.046 . . . . 0.0 108.645 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 64.6 p -140.15 141.03 36.09 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.524 1.13 . . . . 0.0 111.491 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -163.46 -178.78 6.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.979 1.312 . . . . 0.0 112.027 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -127.2 154.15 45.19 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.363 1.465 . . . . 0.0 112.213 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -134.74 167.36 20.99 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 127.4 2.28 . . . . 0.0 110.969 -177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.0 t -79.26 158.99 27.46 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.331 1.452 . . . . 0.0 111.373 168.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -44.78 79.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.496 1.119 . . . . 0.0 111.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -71.11 -46.72 61.17 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.715 0.806 . . . . 0.0 112.573 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.2 -36.63 77.47 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.254 -0.903 . . . . 0.0 111.803 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . 0.401 ' CD2' ' HB3' ' A' ' 24' ' ' PHE . 59.6 t-80 -65.7 -41.71 92.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.687 0.676 . . . . 0.0 112.086 171.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.57 -44.08 85.03 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.53 1.059 . . . . 0.0 112.816 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.76 -50.7 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.386 0.674 . . . . 0.0 111.133 173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.12 -42.58 90.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.777 0.717 . . . . 0.0 112.081 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.44 -37.19 86.17 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.414 1.086 . . . . 0.0 112.812 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -65.1 -51.36 61.76 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.609 1.095 . . . . 0.0 111.499 173.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.67 -31.51 72.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.207 0.603 . . . . 0.0 112.348 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -59.13 4.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.035 0.934 . . . . 0.0 111.467 168.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.21 -25.34 32.3 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.25 1.42 . . . . 0.0 114.456 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -54.08 -25.67 23.02 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 169.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -154.26 -30.74 0.11 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 50.9 t -145.19 83.91 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 127.675 2.39 . . . . 0.0 108.385 -176.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.46 -18.53 29.41 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -68.02 91.25 0.34 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.704 1.202 . . . . 0.0 111.039 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 t -55.0 -42.41 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.774 1.229 . . . . 0.0 112.43 -172.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -65.99 -39.42 90.32 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.44 -0.788 . . . . 0.0 113.058 177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -67.12 -41.1 86.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.928 0.785 . . . . 0.0 111.746 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.5 -45.44 84.9 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.36 -44.24 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.172 0.896 . . . . 0.0 111.594 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.19 -49.56 66.46 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.311 0.96 . . . . 0.0 111.071 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -60.91 -46.1 92.01 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.757 1.623 . . . . 0.0 112.735 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -55.6 -47.9 75.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.116 1.366 . . . . 0.0 112.471 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -65.18 -51.13 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 123.179 0.591 . . . . 0.0 110.012 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 48.3 tp -53.23 -57.85 9.07 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.017 0.927 . . . . 0.0 111.582 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -65.08 -28.08 69.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.02 0.928 . . . . 0.0 113.467 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 44.2 m -77.65 -39.79 43.9 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.947 0.499 . . . . 0.0 111.854 174.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 mm -72.59 -40.1 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.245 1.018 . . . . 0.0 112.156 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 tt -156.4 153.18 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.815 1.246 . . . . 0.0 111.884 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -129.42 -16.17 3.95 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -135.98 49.57 2.12 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.052 1.741 . . . . 0.0 111.338 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -55.0 158.14 2.94 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.779 1.631 . . . . 0.0 114.138 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.08 -8.83 56.48 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.648 1.118 . . . . 0.0 114.874 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -60.38 142.45 54.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.067 1.347 . . . . 0.0 112.043 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.18 173.47 9.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.566 1.146 . . . . 0.0 112.979 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -141.75 -173.76 3.88 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.484 1.514 . . . . 0.0 112.39 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -125.14 174.12 8.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.013 1.725 . . . . 0.0 111.006 172.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 71.3 p -76.56 2.61 13.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.4 1.48 . . . . 0.0 114.993 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -58.82 158.82 7.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.596 1.958 . . . . 0.0 114.077 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.16 136.95 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.683 1.593 . . . . 0.0 109.358 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.315 1.446 . . . . 0.0 113.402 177.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 tptm . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 119.615 -0.231 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -106.53 2.06 25.87 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 116.951 2.204 . . . . 0.0 116.951 -164.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -74.78 128.79 36.41 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.036 0.934 . . . . 0.0 110.722 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -134.06 111.41 10.34 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.553 1.941 . . . . 0.0 109.718 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.9 p -81.69 156.23 25.16 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -166.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -138.82 128.73 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.58 1.552 . . . . 0.0 108.726 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 p -142.79 141.06 31.6 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.166 0.986 . . . . 0.0 110.475 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -164.68 -176.02 4.09 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.041 1.336 . . . . 0.0 111.851 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -121.3 158.69 27.62 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.708 1.603 . . . . 0.0 112.051 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.78 172.31 13.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.225 2.21 . . . . 0.0 110.329 177.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.57 166.34 22.66 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 172.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -61.1 -52.33 65.35 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.643 0.777 . . . . 0.0 111.906 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.18 -35.89 71.78 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.763 0.825 . . . . 0.0 111.849 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.64 -49.97 75.37 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.195 0.998 . . . . 0.0 112.032 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -67.88 -36.41 80.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 119.091 -0.48 . . . . 0.0 111.995 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.84 -41.36 97.72 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.37 0.986 . . . . 0.0 113.392 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.87 -47.57 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 O-C-N 121.357 -0.839 . . . . 0.0 110.803 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.95 -35.6 75.29 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.021 0.828 . . . . 0.0 112.265 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -65.21 -37.78 88.37 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.954 1.252 . . . . 0.0 112.71 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -63.43 -50.91 67.95 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 120.593 1.542 . . . . 0.0 111.721 171.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.88 -37.17 73.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.33 1.052 . . . . 0.0 112.285 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.01 19.94 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.999 1.32 . . . . 0.0 112.074 172.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.93 -21.1 42.17 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.163 1.785 . . . . 0.0 114.141 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -48.28 -26.53 2.03 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 163.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.99 -37.77 0.1 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -151.51 92.47 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 127.53 2.332 . . . . 0.0 108.241 -174.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.56 -17.67 55.99 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 -165.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 p -70.18 101.36 1.85 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.837 1.255 . . . . 0.0 111.953 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.8 t -54.06 -39.53 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.55 1.14 . . . . 0.0 113.146 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -40.73 94.05 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.283 0.947 . . . . 0.0 113.233 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -66.98 -41.46 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.617 -0.677 . . . . 0.0 111.371 172.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.67 -46.01 88.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.417 0.687 . . . . 0.0 112.308 173.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.73 -44.25 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.113 0.965 . . . . 0.0 111.371 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.85 -48.53 77.87 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.39 0.995 . . . . 0.0 112.098 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -62.58 -46.57 87.72 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.783 1.233 . . . . 0.0 111.843 177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -52.25 -48.11 65.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.887 1.675 . . . . 0.0 112.139 173.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.81 -50.29 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.214 1.006 . . . . 0.0 110.935 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.31 -12.06 12.24 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -117.38 1.4 12.37 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.777 1.631 . . . . 0.0 114.299 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.71 -34.6 0.51 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.13 -24.34 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 121.287 -0.883 . . . . 0.0 111.021 169.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.1 tp -146.16 158.51 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 127.712 2.405 . . . . 0.0 108.585 175.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -146.66 60.67 1.21 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.617 1.167 . . . . 0.0 110.523 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -132.66 47.72 2.48 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.569 1.548 . . . . 0.0 112.09 -166.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 164.97 1.66 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.781 1.632 . . . . 0.0 113.44 175.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.07 -14.57 0.27 Allowed Glycine 0 CA--C 1.536 1.401 0 N-CA-C 116.138 1.215 . . . . 0.0 116.138 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 t -148.1 176.22 10.38 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 118.826 1.313 . . . . 0.0 112.403 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -144.11 155.92 44.14 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.386 1.875 . . . . 0.0 110.854 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -71.73 162.82 28.87 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.419 1.088 . . . . 0.0 112.026 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.66 -5.5 40.88 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.337 1.055 . . . . 0.0 113.605 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 t -156.72 105.77 2.24 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.552 1.941 . . . . 0.0 109.531 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.8 m -130.58 160.57 33.79 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.448 1.899 . . . . 0.0 111.055 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.5 pt -135.6 159.72 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.741 1.216 . . . . 0.0 112.741 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 126.906 2.082 . . . . 0.0 111.652 174.383 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt . . . . . 0 N--CA 1.499 1.98 0 N-CA-C 111.233 0.086 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -128.44 146.54 50.77 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.558 1.543 . . . . 0.0 110.853 171.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -147.2 161.4 40.99 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.233 1.813 . . . . 0.0 110.957 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -113.16 120.42 41.18 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.3 1.84 . . . . 0.0 109.516 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.1 p -90.76 158.83 16.64 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -166.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -138.67 123.52 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.628 1.571 . . . . 0.0 108.462 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -143.99 116.23 8.47 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.317 1.047 . . . . 0.0 112.308 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -154.48 -169.46 3.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.655 1.182 . . . . 0.0 112.763 -173.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -132.37 153.37 50.84 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.558 1.543 . . . . 0.0 112.893 -177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 98.0 mt -133.89 178.46 6.93 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.343 2.257 . . . . 0.0 109.822 170.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -86.59 153.33 21.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.267 1.027 . . . . 0.0 112.144 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -49.86 -53.62 24.6 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.283 1.433 . . . . 0.0 114.779 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.11 -40.37 78.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.785 0.434 . . . . 0.0 112.091 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -58.53 -49.87 75.82 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.27 1.028 . . . . 0.0 111.555 172.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.1 -43.51 98.68 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.592 0.757 . . . . 0.0 112.211 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.18 -49.79 74.88 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.798 0.839 . . . . 0.0 112.443 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.49 -46.02 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.273 0.629 . . . . 0.0 111.468 176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.78 -36.76 85.35 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.949 0.795 . . . . 0.0 112.637 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -66.21 -38.99 89.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.897 1.279 . . . . 0.0 112.367 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -64.61 -43.41 93.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.203 1.001 . . . . 0.0 111.902 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.41 95.4 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.624 0.77 . . . . 0.0 111.811 173.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.96 76.11 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.473 0.709 . . . . 0.0 112.024 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -57.22 -32.63 66.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.454 1.102 . . . . 0.0 113.367 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -62.58 -27.61 69.31 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -150.74 -7.89 0.27 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -169.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 83.8 t -137.05 -25.94 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.39 1.476 . . . . 0.0 113.359 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 68.36 -2.33 1.61 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.461 2.304 . . . . 0.0 116.559 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 57.9 m -141.19 123.23 15.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.345 1.458 . . . . 0.0 111.492 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -64.66 -41.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 123.624 0.77 . . . . 0.0 112.152 -173.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -59.94 -49.78 76.33 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.564 0.62 . . . . 0.0 112.169 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 55.4 p -73.28 -33.32 65.17 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.517 0.727 . . . . 0.0 112.17 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.14 -50.59 73.46 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.164 0.893 . . . . 0.0 112.625 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.68 -40.93 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.789 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -52.71 -49.5 65.26 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 120.243 1.383 . . . . 0.0 112.403 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -60.23 -46.17 90.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.088 1.755 . . . . 0.0 112.592 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.81 -51.85 67.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.879 0.871 . . . . 0.0 112.389 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.86 -41.18 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.606 1.163 . . . . 0.0 111.317 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.96 -61.7 2.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.417 0.687 . . . . 0.0 110.803 168.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -58.57 -46.77 86.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.983 0.913 . . . . 0.0 113.079 -171.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 3.9 t -70.02 -31.4 69.03 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mm -75.54 -43.86 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.757 0.823 . . . . 0.0 111.145 173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 18.5 tt -153.61 128.57 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 122.617 1.199 . . . . 0.0 112.551 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -82.77 56.57 3.44 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.355 1.462 . . . . 0.0 112.162 -178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -131.23 58.03 1.73 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.18 1.792 . . . . 0.0 111.537 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -59.52 165.69 2.77 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.435 1.494 . . . . 0.0 113.225 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.76 3.43 30.31 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.632 1.111 . . . . 0.0 115.323 172.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 23.5 p -64.2 155.75 30.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.955 1.302 . . . . 0.0 112.92 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -66.34 156.44 34.46 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.592 0.757 . . . . 0.0 112.55 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -70.47 144.37 51.44 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -160.54 164.11 32.28 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.497 2.319 . . . . 0.0 110.081 166.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.9 24.75 3.51 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.961 1.304 . . . . 0.0 113.906 -169.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.0 p -80.16 1.25 28.89 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.775 1.63 . . . . 0.0 114.917 -175.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 18.0 tt -147.91 158.49 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 126.24 1.816 . . . . 0.0 110.962 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.319 1.848 . . . . 0.0 111.46 179.784 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 119.874 -0.108 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -137.54 166.48 23.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 126.071 1.748 . . . . 0.0 111.785 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -133.0 145.9 51.28 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.144 1.778 . . . . 0.0 109.357 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.95 106.19 7.9 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.232 1.413 . . . . 0.0 110.206 -166.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 t -87.31 159.81 18.63 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -170.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -136.67 130.04 45.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 127.686 2.394 . . . . 0.0 108.506 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -144.41 118.77 9.61 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.478 1.111 . . . . 0.0 112.221 -169.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -152.94 -178.76 7.12 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 120.749 -1.219 . . . . 0.0 113.994 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -123.26 153.94 39.48 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.209 1.804 . . . . 0.0 112.877 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -141.45 171.83 13.53 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 128.859 2.864 . . . . 0.0 110.499 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -81.51 161.38 23.64 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.044 0.938 . . . . 0.0 111.886 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.99 -51.56 68.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.656 1.182 . . . . 0.0 113.099 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.09 -39.54 86.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.05 0.54 . . . . 0.0 111.651 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.55 -49.85 75.93 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.173 1.389 . . . . 0.0 112.057 172.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -63.85 -40.63 97.03 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.98 -39.09 88.31 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.701 0.8 . . . . 0.0 112.824 173.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.49 -46.63 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 O-C-N 121.486 -0.759 . . . . 0.0 111.27 170.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.41 -41.42 97.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.693 1.133 . . . . 0.0 112.638 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -56.8 -48.59 77.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.873 1.269 . . . . 0.0 111.756 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -62.29 -50.65 70.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.035 0.934 . . . . 0.0 111.936 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.46 -40.13 85.87 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.535 0.734 . . . . 0.0 112.291 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.28 -46.31 70.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.053 0.541 . . . . 0.0 112.325 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.96 -35.66 73.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.135 0.974 . . . . 0.0 113.251 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.45 -13.65 62.22 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 174.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -136.83 -41.4 0.6 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.651 1.722 . . . . 0.0 115.651 -167.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -143.54 -0.42 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 125.378 1.471 . . . . 0.0 114.749 -166.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 72.1 -22.83 0.2 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.826 2.45 . . . . 0.0 116.286 174.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -137.79 138.23 39.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.294 1.406 . . . . 0.0 114.417 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.02 -35.89 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.841 0.856 . . . . 0.0 111.887 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -60.15 -44.51 94.91 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.238 0.926 . . . . 0.0 111.719 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.4 m -76.52 -35.16 58.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -55.0 -51.87 64.89 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.66 0.664 . . . . 0.0 111.985 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.1 -43.05 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 118.352 -0.833 . . . . 0.0 111.741 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.97 -42.1 93.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.293 1.406 . . . . 0.0 112.043 176.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -68.1 -36.81 80.38 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.13 -48.59 75.92 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.439 1.018 . . . . 0.0 111.901 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.66 -47.49 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 110.9 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.34 -54.1 44.9 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.171 0.989 . . . . 0.0 111.008 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -56.18 -59.34 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.176 0.99 . . . . 0.0 111.681 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 t -71.34 -15.37 62.39 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -113.83 -27.33 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.559 1.144 . . . . 0.0 112.368 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.9 mt -134.71 60.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 123.153 1.454 . . . . 0.0 111.337 -168.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -54.92 -15.29 1.88 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.372 1.469 . . . . 0.0 114.774 169.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.38 8.0 0.69 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.065 1.746 . . . . 0.0 114.919 167.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.7 tttp 55.44 63.8 1.97 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.825 2.45 . . . . 0.0 112.971 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.58 172.57 9.81 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.353 0.977 . . . . 0.0 114.314 173.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.3 p -66.52 162.52 20.58 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.849 1.259 . . . . 0.0 113.036 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -145.95 169.07 19.36 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.743 1.217 . . . . 0.0 112.196 -171.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -126.66 55.43 1.53 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.474 1.909 . . . . 0.0 111.034 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -143.95 24.47 1.66 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.635 1.574 . . . . 0.0 111.989 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -146.68 36.58 0.97 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.141 1.376 . . . . 0.0 111.979 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.8 p -125.2 4.64 7.83 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.71 1.604 . . . . 0.0 114.415 -168.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.6 mm -133.43 138.5 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 126.548 1.939 . . . . 0.0 109.126 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.7 m120 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.481 1.513 . . . . 0.0 113.586 -179.651 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.7 tptm . . . . . 0 N--CA 1.498 1.954 0 CA-C-O 119.39 -0.338 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -126.12 0.33 7.16 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -174.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -141.19 137.04 32.37 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.659 1.584 . . . . 0.0 111.183 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -138.14 140.32 39.82 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.668 1.987 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 22.0 p -119.23 154.71 32.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -161.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.0 t -138.21 130.68 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.169 1.388 . . . . 0.0 109.294 -175.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.3 p -143.36 132.86 23.53 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.747 1.219 . . . . 0.0 111.019 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -162.68 154.62 18.42 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.904 0.882 . . . . 0.0 113.207 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.65 152.06 30.19 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 168.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.0 mt -130.52 176.0 8.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 128.181 2.592 . . . . 0.0 109.792 165.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 67.7 m -85.37 158.77 20.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.032 0.933 . . . . 0.0 112.311 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.59 -53.72 54.96 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.275 1.03 . . . . 0.0 113.375 -177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.06 -35.27 76.36 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.749 0.419 . . . . 0.0 112.008 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.45 -50.35 73.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.673 1.189 . . . . 0.0 111.883 171.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -63.89 -36.72 84.86 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.74 -0.6 . . . . 0.0 112.548 175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.63 -40.78 96.07 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.206 -0.934 . . . . 0.0 113.16 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.83 -46.97 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 121.306 -0.871 . . . . 0.0 110.782 170.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.24 -41.05 87.8 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.746 0.703 . . . . 0.0 112.203 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -59.94 -43.33 95.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.699 1.2 . . . . 0.0 112.135 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -65.76 -49.22 69.18 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.906 1.23 . . . . 0.0 112.805 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.93 -37.7 74.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.57 0.748 . . . . 0.0 112.334 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.65 -52.1 34.87 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.661 1.184 . . . . 0.0 111.733 171.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.45 -22.2 61.16 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.58 1.952 . . . . 0.0 114.711 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.64 -19.23 5.67 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 164.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -140.86 -53.29 0.48 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.86 1.264 . . . . 0.0 113.92 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -152.84 100.61 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 127.998 2.519 . . . . 0.0 107.517 -175.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -61.24 -9.13 4.45 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 117.382 2.364 . . . . 0.0 117.382 -170.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.3 m -63.6 86.66 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.41 1.884 . . . . 0.0 112.712 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -50.18 -43.99 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.223 1.409 . . . . 0.0 113.292 -174.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -63.83 -45.15 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 m -64.45 -42.21 96.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.736 0.814 . . . . 0.0 111.823 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -58.91 -48.24 82.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.486 1.114 . . . . 0.0 112.305 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.01 -42.76 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.122 0.969 . . . . 0.0 111.405 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.18 -48.73 75.78 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.062 0.846 . . . . 0.0 111.741 173.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -45.79 92.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.458 1.503 . . . . 0.0 111.732 176.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -56.68 -49.67 74.41 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.513 1.525 . . . . 0.0 112.776 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.94 -44.76 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.485 0.714 . . . . 0.0 110.821 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.78 -57.47 10.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.814 0.846 . . . . 0.0 110.903 173.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.14 -26.58 68.4 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.2 m -77.14 -23.83 51.64 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.69 0.796 . . . . 0.0 112.951 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.9 mt -119.45 -23.12 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.061 0.944 . . . . 0.0 112.534 -168.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.5 mp -132.4 134.41 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 126.361 1.865 . . . . 0.0 109.606 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -127.59 -33.41 2.31 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -161.14 115.94 2.09 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.405 1.882 . . . . 0.0 109.985 174.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -143.07 19.45 1.94 Allowed 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.17 -177.68 34.77 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.728 1.156 . . . . 0.0 114.489 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 41.2 p -117.4 -23.36 7.81 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.634 1.574 . . . . 0.0 113.853 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -147.42 167.03 25.42 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.801 2.04 . . . . 0.0 111.556 -174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -151.59 173.06 15.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.524 1.13 . . . . 0.0 113.249 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -137.4 128.78 28.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.929 1.691 . . . . 0.0 109.726 173.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 77.3 p -144.78 17.97 1.63 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -164.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.7 p -60.79 161.13 8.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.859 1.264 . . . . 0.0 113.858 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.39 35.7 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 125.552 1.541 . . . . 0.0 110.765 -172.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 127.367 2.267 . . . . 0.0 113.663 -173.781 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 119.957 -0.068 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -135.61 163.63 29.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.638 1.575 . . . . 0.0 112.293 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -132.54 150.75 52.11 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.114 1.766 . . . . 0.0 110.577 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -136.03 146.06 46.73 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.873 1.669 . . . . 0.0 110.027 -166.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.15 156.65 31.89 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -163.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.2 t -138.3 127.44 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.023 1.329 . . . . 0.0 109.048 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.3 p -142.06 137.3 30.96 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.754 1.222 . . . . 0.0 111.783 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -166.81 -173.28 2.35 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.33 1.452 . . . . 0.0 111.826 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.1 151.4 48.69 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.663 1.585 . . . . 0.0 112.514 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -133.73 172.57 12.59 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 127.015 2.126 . . . . 0.0 110.803 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -84.03 162.49 20.35 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.865 1.266 . . . . 0.0 111.721 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -55.26 -54.18 46.73 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.094 0.958 . . . . 0.0 112.833 -176.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.69 -34.63 72.18 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.0 -52.67 64.37 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.822 -0.549 . . . . 0.0 110.673 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -61.91 -38.63 89.12 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -60.89 -43.61 98.25 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.081 0.855 . . . . 0.0 113.065 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -62.84 -49.95 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.972 0.806 . . . . 0.0 110.94 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.87 -39.21 84.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.756 0.707 . . . . 0.0 111.86 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.19 -45.43 93.42 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.366 1.067 . . . . 0.0 112.205 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -62.51 -48.35 79.93 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.097 1.317 . . . . 0.0 111.856 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.64 -33.33 74.81 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.811 0.844 . . . . 0.0 112.318 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.68 -51.26 36.1 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.648 0.658 . . . . 0.0 112.186 169.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -59.68 -21.66 60.87 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.738 1.615 . . . . 0.0 113.61 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -51.87 -34.58 41.56 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 167.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -162.77 -27.6 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -85.07 -31.24 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.048 1.339 . . . . 0.0 112.506 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 69.21 5.57 5.18 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.495 1.918 . . . . 0.0 115.759 173.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.4 p -152.1 133.29 14.37 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.953 -1.092 . . . . 0.0 113.535 174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 m -61.69 -38.68 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -65.39 -49.93 67.42 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.763 0.71 . . . . 0.0 112.078 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -67.0 -36.76 82.86 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.118 0.567 . . . . 0.0 111.829 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.76 -52.94 62.96 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 173.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.67 -40.98 90.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 118.999 0.818 . . . . 0.0 111.318 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -49.98 -57.29 7.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.321 1.049 . . . . 0.0 111.614 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -64.06 -40.83 97.14 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.37 1.068 . . . . 0.0 112.601 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -56.13 -49.86 72.74 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.581 1.552 . . . . 0.0 112.222 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.32 -44.54 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.75 -49.14 76.13 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.778 0.717 . . . . 0.0 112.402 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -62.92 -32.71 74.06 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.2 m -76.43 -34.57 58.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.742 0.817 . . . . 0.0 112.948 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.4 mm -105.94 -63.67 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.892 0.877 . . . . 0.0 111.983 -169.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -164.07 136.48 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.615 1.166 . . . . 0.0 112.283 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -159.59 159.69 33.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.167 2.187 . . . . 0.0 108.824 173.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -143.54 83.4 1.77 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.119 1.368 . . . . 0.0 110.763 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.2 tttm 53.57 27.91 7.22 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 126.168 1.787 . . . . 0.0 113.009 -169.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.48 -166.22 20.29 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 126.165 1.841 . . . . 0.0 112.656 -171.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 t -160.15 172.36 17.58 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.284 1.833 . . . . 0.0 110.437 165.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.82 118.77 7.07 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.545 1.138 . . . . 0.0 111.824 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -142.24 172.84 12.14 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.846 2.058 . . . . 0.0 110.535 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -140.27 150.02 43.55 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.735 1.214 . . . . 0.0 111.843 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.7 p -143.68 13.82 1.73 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.603 1.561 . . . . 0.0 113.562 -177.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.9 m -76.7 2.29 14.66 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.5 tt -146.16 148.27 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.791 1.636 . . . . 0.0 111.003 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.352 1.461 . . . . 0.0 113.217 178.005 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.499 2.018 0 N-CA-C 111.248 0.092 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -110.83 1.95 18.0 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.365 1.466 . . . . 0.0 114.603 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -139.12 139.57 37.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.562 1.945 . . . . 0.0 109.624 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.76 108.78 11.03 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.482 . . . . 0.0 109.862 -171.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.2 p -80.47 158.86 25.76 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -168.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.36 135.25 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.414 1.485 . . . . 0.0 108.68 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 t -154.25 122.76 6.16 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.549 1.14 . . . . 0.0 110.998 -173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -154.91 177.89 10.79 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.348 1.059 . . . . 0.0 113.471 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -126.6 152.19 46.96 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.926 1.691 . . . . 0.0 112.728 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.2 mt -142.36 179.88 6.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 128.156 2.582 . . . . 0.0 110.409 -173.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -83.64 161.63 21.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.158 0.983 . . . . 0.0 111.8 170.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.52 -42.19 82.34 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.232 0.613 . . . . 0.0 112.014 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.27 -49.2 78.03 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.902 0.881 . . . . 0.0 111.714 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.52 -44.4 90.98 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.505 -0.747 . . . . 0.0 111.842 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -62.75 -39.53 94.45 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.429 -0.794 . . . . 0.0 111.748 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.78 -41.21 99.15 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.712 1.142 . . . . 0.0 113.266 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.81 -48.95 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.515 -0.741 . . . . 0.0 110.953 170.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.8 -38.53 91.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.026 0.83 . . . . 0.0 112.812 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -56.08 -53.04 61.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.888 1.275 . . . . 0.0 111.046 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.56 -49.16 74.53 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.406 0.682 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 35.0 tp -61.19 -37.27 82.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.33 1.052 . . . . 0.0 112.424 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.43 -55.02 10.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.969 0.907 . . . . 0.0 111.769 170.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -55.95 -24.4 37.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 114.707 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -50.67 -26.41 5.43 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 166.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -140.13 -35.9 0.5 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.83 97.72 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 127.929 2.492 . . . . 0.0 109.884 -172.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -53.44 -22.51 7.95 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 44.1 t -69.44 96.03 0.86 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.026 1.33 . . . . 0.0 111.9 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 86.3 t -57.59 -39.76 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 123.863 0.865 . . . . 0.0 111.802 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -63.57 -43.09 98.03 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.264 -0.897 . . . . 0.0 112.92 176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.2 t -65.0 -43.77 91.45 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.883 0.765 . . . . 0.0 111.836 173.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -56.88 -50.04 73.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.817 0.847 . . . . 0.0 112.295 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.06 -41.84 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 118.753 0.706 . . . . 0.0 111.503 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.38 -52.22 64.26 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.372 0.987 . . . . 0.0 111.624 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -60.45 -42.57 96.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.529 1.132 . . . . 0.0 112.732 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -56.27 -47.53 78.39 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.443 1.497 . . . . 0.0 112.441 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.58 -50.76 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.165 0.986 . . . . 0.0 110.698 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.3 mp -53.77 -51.8 62.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.069 0.547 . . . . 0.0 111.517 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.58 -41.69 97.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.353 1.061 . . . . 0.0 112.982 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 90.1 m -72.76 -38.77 67.22 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mp -93.24 -25.59 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.201 0.909 . . . . 0.0 112.609 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 30.4 mt -130.28 112.59 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-O 122.569 1.176 . . . . 0.0 110.934 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -72.32 -38.89 68.58 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.586 1.155 . . . . 0.0 113.192 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -143.6 104.14 4.17 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.832 2.053 . . . . 0.0 109.67 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -56.06 155.12 6.74 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.774 1.63 . . . . 0.0 112.821 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.28 -19.92 79.27 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.204 0.907 . . . . 0.0 114.507 174.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 5.8 m -141.79 148.32 38.71 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.655 1.582 . . . . 0.0 110.131 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -77.91 -5.58 51.51 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -172.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.56 154.53 35.9 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.062 1.345 . . . . 0.0 113.373 -176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -157.27 177.05 11.9 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.2 1.8 . . . . 0.0 111.928 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -129.29 19.64 5.82 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.267 1.427 . . . . 0.0 113.409 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.0 t -81.29 47.29 1.01 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.151 1.781 . . . . 0.0 112.17 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -65.14 166.48 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 125.251 1.42 . . . . 0.0 113.849 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.1 t30 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.048 1.739 . . . . 0.0 111.634 -179.791 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 tptm . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 119.637 -0.221 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.28 158.56 16.94 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.375 1.07 . . . . 0.0 113.327 -177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -125.37 149.81 47.79 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.971 1.708 . . . . 0.0 111.262 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -141.08 146.54 37.27 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.451 2.3 . . . . 0.0 110.467 -167.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.53 157.9 26.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -163.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.6 t -138.21 126.29 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 108.948 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.2 p -143.01 127.97 18.42 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.673 1.189 . . . . 0.0 112.0 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -158.78 -174.62 4.86 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.509 1.124 . . . . 0.0 112.411 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.5 150.86 48.5 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.265 1.426 . . . . 0.0 112.682 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.8 mt -131.54 171.93 12.83 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.484 2.314 . . . . 0.0 110.469 175.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.7 m -81.32 158.13 24.83 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.13 . . . . 0.0 111.196 173.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -56.6 -48.76 76.74 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.944 0.897 . . . . 0.0 113.178 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.61 -39.21 84.76 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.058 0.543 . . . . 0.0 112.272 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.07 -53.37 58.63 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.625 0.77 . . . . 0.0 111.061 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -61.8 -38.75 89.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.819 -0.551 . . . . 0.0 112.157 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.33 -41.58 96.71 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.031 0.932 . . . . 0.0 113.217 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.17 -46.36 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.041 -1.037 . . . . 0.0 111.161 171.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.57 -39.23 83.42 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.92 0.782 . . . . 0.0 111.898 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -62.29 -39.62 93.58 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.265 1.026 . . . . 0.0 112.462 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -66.55 -49.29 66.92 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 119.632 1.105 . . . . 0.0 112.147 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.61 -36.3 73.81 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.682 0.793 . . . . 0.0 111.969 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.83 -49.73 49.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.59 1.156 . . . . 0.0 112.331 170.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.64 -19.25 47.93 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.319 1.848 . . . . 0.0 114.263 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.8 -25.63 0.79 Allowed 'General case' 0 CA--C 1.557 1.217 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 160.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.4 -43.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.534 1.534 . . . . 0.0 114.129 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 p -168.58 109.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 127.7 2.4 . . . . 0.0 108.737 -176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.96 -11.62 3.6 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 118.128 2.64 . . . . 0.0 118.128 -167.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -56.96 93.87 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.306 1.842 . . . . 0.0 113.594 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.7 t -55.32 -41.27 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.764 1.226 . . . . 0.0 112.95 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -65.26 -42.24 93.44 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.7 m -65.69 -41.1 92.8 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.742 0.817 . . . . 0.0 111.867 172.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.79 -44.26 94.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.463 0.705 . . . . 0.0 112.168 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.89 -43.22 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.873 0.869 . . . . 0.0 111.675 173.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -55.77 -49.42 73.18 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.504 1.047 . . . . 0.0 111.555 173.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -62.14 -41.04 97.88 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.623 1.169 . . . . 0.0 112.724 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.92 -48.49 79.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.213 1.405 . . . . 0.0 112.485 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.4 mt -65.2 -45.2 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.774 0.83 . . . . 0.0 110.648 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.7 mt -56.44 -52.55 64.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.476 0.71 . . . . 0.0 112.056 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.15 -34.87 74.16 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.4 m -73.1 -29.43 62.92 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.729 0.812 . . . . 0.0 112.891 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.2 mt -112.73 -26.07 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 123.805 0.842 . . . . 0.0 113.006 -168.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.5 mm -124.3 131.32 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.544 1.538 . . . . 0.0 110.296 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -138.97 6.98 2.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.893 1.277 . . . . 0.0 113.983 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -133.64 35.63 3.38 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.278 2.231 . . . . 0.0 111.326 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.88 140.09 25.42 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.328 1.851 . . . . 0.0 112.604 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -150.15 17.66 1.05 Allowed Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.698 1.142 . . . . 0.0 114.725 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 p -142.2 161.48 37.89 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.854 2.062 . . . . 0.0 111.044 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -151.73 170.1 20.57 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.612 1.165 . . . . 0.0 112.91 -178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -139.48 55.62 1.67 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.024 1.73 . . . . 0.0 110.389 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -56.44 152.56 11.32 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t 60.6 10.39 2.55 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.174 1.79 . . . . 0.0 115.667 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 t -68.22 158.02 34.21 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.806 -1.184 . . . . 0.0 112.038 169.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.2 pt -136.38 26.21 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.867 2.067 . . . . 0.0 111.618 -175.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.698 1.599 . . . . 0.0 112.57 -162.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.27 25.5 pttm . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -66.27 161.05 23.1 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 120.0 1.273 . . . . 0.0 112.813 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 -138.29 133.05 32.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.709 2.004 . . . . 0.0 110.833 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -134.33 110.26 9.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.524 1.53 . . . . 0.0 109.851 -173.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p -83.64 159.54 21.55 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.0 t -137.54 131.58 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.715 1.606 . . . . 0.0 108.332 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -152.05 121.83 6.99 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.225 1.01 . . . . 0.0 111.657 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -155.45 174.86 14.64 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.2 1.0 . . . . 0.0 113.292 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.96 151.22 45.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.791 1.636 . . . . 0.0 112.9 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 44.8 mt -140.08 178.23 7.42 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.912 2.885 . . . . 0.0 109.179 -175.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.4 p -83.68 162.59 20.68 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.71 -0.619 . . . . 0.0 112.305 171.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.35 -47.39 75.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.553 0.741 . . . . 0.0 112.496 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.91 -38.97 79.92 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.21 0.604 . . . . 0.0 112.392 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.09 -45.79 90.45 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.474 -0.766 . . . . 0.0 111.722 172.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -63.62 -39.48 94.46 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.544 -0.741 . . . . 0.0 111.829 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -58.74 -44.54 90.53 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.575 1.079 . . . . 0.0 112.585 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.78 -51.0 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.383 -0.823 . . . . 0.0 111.077 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.1 mt -59.39 -40.15 85.66 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.569 0.622 . . . . 0.0 112.077 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -62.96 -42.8 99.93 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.994 1.718 . . . . 0.0 112.427 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -65.42 -51.17 62.12 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.774 0.83 . . . . 0.0 111.801 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.34 -34.75 74.27 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.482 0.713 . . . . 0.0 112.383 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -61.99 1.64 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.318 1.047 . . . . 0.0 111.35 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.37 -21.51 36.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.605 1.562 . . . . 0.0 114.798 -174.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.94 -26.61 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 165.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -151.93 -22.0 0.19 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -148.84 93.17 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 128.017 2.527 . . . . 0.0 108.244 -172.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.68 -25.38 53.74 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.9 m -74.95 85.03 2.25 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.701 1.6 . . . . 0.0 111.987 176.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -50.18 -43.11 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.477 1.511 . . . . 0.0 113.109 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -65.6 -42.66 91.38 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -67.96 -35.61 78.68 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.913 0.885 . . . . 0.0 112.246 175.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.22 -49.35 78.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.768 0.827 . . . . 0.0 111.479 168.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.98 -44.28 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.163 0.892 . . . . 0.0 111.48 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.64 -51.23 63.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.117 0.967 . . . . 0.0 111.959 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 -69.2 -33.54 73.5 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 177.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -57.71 -46.15 84.76 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.38 1.072 . . . . 0.0 112.229 170.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 49.0 mt -65.92 -45.74 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.657 0.783 . . . . 0.0 110.506 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -52.77 -53.43 48.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.511 0.596 . . . . 0.0 111.124 173.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.61 -4.74 4.45 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 35.5 p -124.9 8.85 8.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.439 1.496 . . . . 0.0 113.28 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.5 mm -132.74 -27.36 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 126.207 1.803 . . . . 0.0 111.564 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 45.5 mm -127.03 140.53 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 127.13 2.172 . . . . 0.0 109.156 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -136.62 55.5 1.84 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.365 1.466 . . . . 0.0 110.905 -168.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -140.18 100.52 3.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.487 1.915 . . . . 0.0 110.158 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.93 151.93 43.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.543 1.937 . . . . 0.0 111.017 -177.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.76 -15.16 0.02 OUTLIER Glycine 0 CA--C 1.538 1.491 0 N-CA-C 116.353 1.301 . . . . 0.0 116.353 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 1.4 p -62.29 160.41 13.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.323 1.449 . . . . 0.0 113.732 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -141.67 34.77 1.62 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.232 1.413 . . . . 0.0 112.418 -172.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -71.55 -5.49 33.7 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.957 1.465 . . . . 0.0 114.957 -170.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -146.44 160.57 41.91 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.974 1.709 . . . . 0.0 112.075 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -146.66 14.55 1.22 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.982 1.313 . . . . 0.0 113.958 -172.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 27.5 m -56.2 142.12 38.38 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.478 1.511 . . . . 0.0 113.944 -174.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 48.0 pt -66.86 160.3 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.562 1.145 . . . . 0.0 113.031 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.107 1.363 . . . . 0.0 112.889 172.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.5 2.064 0 N-CA-C 111.543 0.201 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 57.08 23.23 8.23 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 127.363 2.265 . . . . 0.0 116.298 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -83.72 120.1 25.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.852 1.261 . . . . 0.0 110.328 173.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -125.36 102.52 7.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.45 1.9 . . . . 0.0 109.964 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.5 p -71.57 155.91 40.01 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -142.3 133.81 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.545 1.538 . . . . 0.0 109.147 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -143.57 138.73 29.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.686 1.194 . . . . 0.0 110.531 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -163.15 154.44 17.17 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -75.99 152.72 36.92 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.775 0.83 . . . . 0.0 112.806 168.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.67 175.61 9.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.925 2.49 . . . . 0.0 109.678 167.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.5 m -81.34 155.21 26.09 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.979 0.912 . . . . 0.0 111.53 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.12 -50.7 70.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.013 0.925 . . . . 0.0 113.195 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.79 -43.03 94.51 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.103 0.561 . . . . 0.0 111.794 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -59.42 -48.94 79.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.938 1.295 . . . . 0.0 112.39 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -59.61 -39.65 84.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.669 -0.645 . . . . 0.0 111.898 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.74 -44.41 81.56 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 m -66.27 -38.07 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 O-C-N 120.542 -1.349 . . . . 0.0 112.172 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.09 -37.13 86.5 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.585 -0.697 . . . . 0.0 111.635 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -61.56 -40.34 94.39 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.644 1.111 . . . . 0.0 112.507 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -65.17 -48.71 72.53 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 119.974 1.261 . . . . 0.0 111.981 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.85 -35.29 76.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.732 0.813 . . . . 0.0 112.312 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.36 31.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.29 1.036 . . . . 0.0 111.806 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.85 -24.99 55.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.994 1.718 . . . . 0.0 114.239 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -52.21 -26.38 11.55 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.76 -48.99 0.34 Allowed 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -149.12 93.79 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 127.66 2.384 . . . . 0.0 107.995 -173.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.99 -20.47 53.27 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -164.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -68.76 106.44 2.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.508 1.123 . . . . 0.0 112.501 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 m -50.32 -38.51 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.786 1.234 . . . . 0.0 113.95 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -72.95 -39.32 66.29 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -63.74 -44.11 94.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.789 0.835 . . . . 0.0 111.313 170.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.03 -45.64 90.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.845 0.858 . . . . 0.0 112.54 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.24 -43.64 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 121.401 -0.812 . . . . 0.0 111.974 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -56.1 -45.44 79.43 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.75 -1.219 . . . . 0.0 111.587 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -64.1 -40.82 97.04 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.144 1.378 . . . . 0.0 113.245 174.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -56.74 -46.7 81.21 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.259 1.023 . . . . 0.0 112.196 171.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.402 HD11 HD11 ' B' ' 57' ' ' ILE . 65.0 mt -64.63 -51.91 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.151 0.981 . . . . 0.0 110.683 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -39.9 92.67 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.697 0.681 . . . . 0.0 111.954 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.13 -37.13 86.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.872 0.869 . . . . 0.0 112.881 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.6 m -70.1 -31.98 69.8 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.134 0.974 . . . . 0.0 112.638 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mt -110.86 -20.14 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.95 0.9 . . . . 0.0 113.293 -168.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.29 136.1 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.74 1.616 . . . . 0.0 110.118 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -142.4 94.6 2.67 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.131 1.373 . . . . 0.0 110.295 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -146.54 65.61 1.18 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.576 1.551 . . . . 0.0 110.581 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -58.17 154.26 13.39 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.243 1.417 . . . . 0.0 112.752 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.96 -26.91 0.26 Allowed Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.753 1.168 . . . . 0.0 114.203 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.0 p -135.98 167.78 20.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.623 1.969 . . . . 0.0 111.294 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -132.91 30.59 3.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.432 1.493 . . . . 0.0 111.895 -172.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 53.21 27.3 5.86 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.876 1.67 . . . . 0.0 113.52 -165.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -65.49 -5.28 7.45 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.506 2.322 . . . . 0.0 114.941 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 t -76.42 7.61 4.24 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.423 1.489 . . . . 0.0 113.498 166.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.0 m 54.57 55.13 8.35 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.621 1.968 . . . . 0.0 113.336 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.14 147.82 25.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.496 1.519 . . . . 0.0 111.655 -175.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 p30 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 124.932 1.293 . . . . 0.0 113.789 179.012 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -137.37 164.46 28.57 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 126.404 1.882 . . . . 0.0 111.36 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -136.55 134.55 37.62 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.878 1.671 . . . . 0.0 110.322 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -134.38 105.9 6.82 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.794 1.638 . . . . 0.0 110.718 -168.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 33.1 t -88.59 159.13 18.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -168.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.98 132.64 47.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 127.089 2.156 . . . . 0.0 108.584 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -142.62 121.21 12.52 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.517 1.127 . . . . 0.0 112.475 -168.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -157.12 -171.45 3.64 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.487 1.115 . . . . 0.0 113.108 -170.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -127.59 144.68 51.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.319 1.448 . . . . 0.0 112.808 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 67.5 mt -119.44 170.88 8.76 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.607 1.963 . . . . 0.0 110.077 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -83.84 155.17 23.09 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.429 0.692 . . . . 0.0 111.531 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -51.42 -54.1 30.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.693 1.197 . . . . 0.0 114.224 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.22 -38.38 78.52 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.79 -50.42 74.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.958 1.303 . . . . 0.0 111.712 172.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.58 -43.78 98.23 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.887 0.875 . . . . 0.0 111.499 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.89 -40.6 96.89 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.51 -50.4 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.33 0.652 . . . . 0.0 111.079 172.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.71 -39.42 88.52 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.927 0.785 . . . . 0.0 112.007 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -67.53 -32.95 74.08 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.813 1.645 . . . . 0.0 113.439 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -66.84 -49.02 67.05 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.985 1.266 . . . . 0.0 111.495 169.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -59.9 -33.84 72.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.635 0.774 . . . . 0.0 112.213 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.81 24.05 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.189 0.996 . . . . 0.0 111.556 167.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.84 -24.64 52.64 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.843 1.657 . . . . 0.0 114.911 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -54.65 -18.89 5.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 167.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -152.65 -39.08 0.1 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -150.57 92.03 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 127.23 2.212 . . . . 0.0 110.008 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.28 -18.83 18.39 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.1 m -62.61 97.62 0.1 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.171 1.788 . . . . 0.0 113.149 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.91 -37.77 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -58.3 -52.87 63.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.082 0.856 . . . . 0.0 111.992 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 t -65.08 -45.87 83.47 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.262 1.025 . . . . 0.0 111.808 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -61.66 -48.23 81.78 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -69.43 -40.31 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.529 -0.732 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -53.03 -52.69 57.66 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.459 1.027 . . . . 0.0 111.696 170.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -57.48 -50.8 71.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.98 1.712 . . . . 0.0 112.137 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -53.8 -47.79 70.48 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.588 1.155 . . . . 0.0 112.515 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.402 HD11 HD11 ' A' ' 57' ' ' ILE . 83.9 mt -67.87 -45.98 83.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.743 0.817 . . . . 0.0 111.124 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.02 -51.02 70.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.924 0.89 . . . . 0.0 111.422 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.54 -25.7 68.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.231 1.013 . . . . 0.0 113.601 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 80.1 m -77.04 -40.75 45.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.439 0.696 . . . . 0.0 111.624 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.7 mt -68.98 -41.46 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.497 1.119 . . . . 0.0 112.095 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tp -150.78 152.36 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.777 1.231 . . . . 0.0 111.467 -173.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -144.43 129.36 18.44 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.799 1.24 . . . . 0.0 110.638 172.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -164.74 135.86 4.18 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.064 2.545 . . . . 0.0 108.631 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -132.86 30.86 3.98 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.176 1.79 . . . . 0.0 112.786 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.68 21.43 4.23 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.054 1.788 . . . . 0.0 113.642 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 39.0 p -72.34 170.54 13.96 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.038 1.735 . . . . 0.0 112.958 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -131.28 37.24 3.74 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.402 1.481 . . . . 0.0 111.839 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -146.61 175.25 10.73 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.057 1.743 . . . . 0.0 112.07 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -137.14 166.06 24.61 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.515 1.526 . . . . 0.0 112.263 -175.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 3.7 t -139.5 35.06 2.04 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.248 1.419 . . . . 0.0 112.064 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 9.3 t -147.25 164.95 31.58 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.709 1.604 . . . . 0.0 111.561 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.45 135.69 49.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 126.101 1.76 . . . . 0.0 109.374 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.487 1.515 . . . . 0.0 114.139 177.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 111.357 0.132 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -126.57 4.44 6.83 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 125.331 1.452 . . . . 0.0 114.359 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -82.92 120.89 26.27 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.387 1.475 . . . . 0.0 110.019 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -127.53 142.04 51.49 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.435 1.894 . . . . 0.0 109.659 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -122.32 157.74 31.09 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.285 -0.884 . . . . 0.0 113.242 -164.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.8 t -139.69 123.94 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 109.2 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 p -143.24 123.84 14.06 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.657 1.183 . . . . 0.0 112.427 -171.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.19 -172.79 3.9 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.769 1.227 . . . . 0.0 112.643 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.39 146.75 50.69 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.323 1.449 . . . . 0.0 112.553 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -127.52 171.56 11.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.065 2.146 . . . . 0.0 110.478 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.6 m -83.35 159.33 21.88 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.608 0.763 . . . . 0.0 112.132 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -51.91 -60.69 2.89 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.342 1.457 . . . . 0.0 113.373 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.86 -32.9 72.9 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.23 -50.81 71.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.626 1.17 . . . . 0.0 111.359 173.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -64.39 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.707 -0.663 . . . . 0.0 112.11 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.48 -43.01 97.42 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.572 1.078 . . . . 0.0 113.16 172.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.3 t -62.78 -47.99 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 119.067 0.849 . . . . 0.0 110.85 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.36 -40.29 85.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.49 0.586 . . . . 0.0 111.913 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -62.69 -44.71 95.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.153 1.381 . . . . 0.0 112.481 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.84 -49.59 75.68 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.279 0.945 . . . . 0.0 111.918 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.0 -31.45 72.36 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.89 61.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.802 0.728 . . . . 0.0 111.774 168.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -58.61 -27.48 64.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.805 1.242 . . . . 0.0 113.361 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.37 -32.53 70.22 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -155.14 -4.59 0.14 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.184 2.661 . . . . 0.0 118.184 -167.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.31 -32.21 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 125.844 1.658 . . . . 0.0 112.945 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 60.35 13.42 4.01 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.041 2.137 . . . . 0.0 116.526 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.5 m -139.58 90.32 2.4 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.169 1.788 . . . . 0.0 110.212 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 t -52.47 -46.39 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.846 1.258 . . . . 0.0 113.46 -165.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -66.5 -30.12 70.38 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.168 -0.957 . . . . 0.0 113.348 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -85.21 -29.25 24.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.904 0.882 . . . . 0.0 112.258 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.87 -46.37 90.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.03 0.932 . . . . 0.0 111.301 162.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.77 -43.05 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.521 -0.737 . . . . 0.0 111.516 174.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -53.4 26.54 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.482 1.037 . . . . 0.0 111.595 170.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -58.39 -47.06 85.08 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.516 0.726 . . . . 0.0 112.818 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -54.56 -49.18 70.96 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.496 1.119 . . . . 0.0 112.751 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.6 mt -64.83 -53.38 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.297 0.639 . . . . 0.0 109.829 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.8 -46.4 84.72 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.669 -0.681 . . . . 0.0 112.071 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -62.15 -47.22 85.5 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.871 0.76 . . . . 0.0 111.87 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.3 m -60.57 -39.43 87.97 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mp -80.13 -41.91 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.945 0.793 . . . . 0.0 111.807 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 tt -150.84 93.63 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-O 123.275 1.512 . . . . 0.0 112.566 -173.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.68 -27.6 68.81 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.807 1.243 . . . . 0.0 114.262 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -143.79 102.49 3.92 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.2 1.8 . . . . 0.0 110.334 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.01 154.79 11.95 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.09 0.956 . . . . 0.0 111.262 167.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.15 -16.39 72.08 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.02 0.819 . . . . 0.0 114.728 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -141.1 172.34 12.82 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.722 2.009 . . . . 0.0 111.586 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -143.38 159.32 42.58 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.254 1.422 . . . . 0.0 112.392 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -148.32 141.12 24.65 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.749 1.62 . . . . 0.0 109.333 170.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -138.29 35.0 2.3 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.381 1.073 . . . . 0.0 111.928 -162.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.5 m -69.11 6.81 0.85 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.575 1.95 . . . . 0.0 115.911 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.0 m -137.34 153.33 50.26 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.076 1.75 . . . . 0.0 111.743 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.29 18.76 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.989 1.316 . . . . 0.0 112.257 -170.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 t30 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.184 1.793 . . . . 0.0 111.592 -179.538 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 mptt . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 119.921 -0.085 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -120.9 1.78 10.46 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -100.37 120.89 40.64 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.666 1.587 . . . . 0.0 109.472 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -122.62 106.66 11.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.901 1.681 . . . . 0.0 109.8 -172.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -75.98 159.11 31.19 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -137.65 131.08 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.881 1.672 . . . . 0.0 108.31 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.2 121.13 7.1 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.257 1.023 . . . . 0.0 111.066 -174.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -154.12 177.97 10.49 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.243 1.017 . . . . 0.0 113.044 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.26 157.92 29.25 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.688 1.595 . . . . 0.0 112.803 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.0 mt -142.54 166.96 23.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.638 3.175 . . . . 0.0 109.924 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.5 t -76.79 153.3 35.05 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.039 164.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -49.53 -43.49 45.71 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.886 1.275 . . . . 0.0 112.806 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.59 -52.62 50.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.328 0.651 . . . . 0.0 112.183 -176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -71.21 -33.85 70.29 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.22 -0.925 . . . . 0.0 112.686 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -62.22 -42.75 99.59 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.725 -0.609 . . . . 0.0 111.545 169.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.41 -36.48 84.3 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.212 0.914 . . . . 0.0 113.329 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.63 -50.43 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.181 0.9 . . . . 0.0 110.876 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -61.34 -36.27 79.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.91 0.777 . . . . 0.0 112.292 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -64.32 -38.8 92.31 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.873 1.269 . . . . 0.0 112.826 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -65.72 -48.26 72.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.763 1.165 . . . . 0.0 111.618 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.15 -37.14 74.1 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.695 0.798 . . . . 0.0 112.144 174.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -54.31 18.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.075 0.95 . . . . 0.0 112.064 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.82 -25.76 43.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.996 1.719 . . . . 0.0 114.296 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.82 -26.07 13.38 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 168.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.98 -45.05 0.34 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.0 91.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 127.935 2.494 . . . . 0.0 109.728 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.48 -17.78 15.25 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 117.25 2.315 . . . . 0.0 117.25 -168.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -66.37 86.92 0.11 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.24 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 t -48.66 -45.68 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 113.834 -168.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -67.47 -40.11 85.29 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.2 t -67.03 -41.02 87.31 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.098 0.959 . . . . 0.0 111.481 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.23 -49.93 72.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.907 0.883 . . . . 0.0 111.865 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.81 -45.7 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 118.892 0.769 . . . . 0.0 111.637 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -55.32 -51.29 67.2 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.132 0.973 . . . . 0.0 111.678 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -62.26 -41.03 98.1 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.827 1.251 . . . . 0.0 112.363 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -58.3 -49.06 78.5 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.676 1.59 . . . . 0.0 112.323 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.42 -45.63 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.557 0.743 . . . . 0.0 110.888 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.03 -56.23 19.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.699 0.8 . . . . 0.0 110.831 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.85 -36.84 80.15 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.628 1.171 . . . . 0.0 113.49 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 99.1 m -67.1 -29.99 69.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.974 0.909 . . . . 0.0 112.868 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.9 mt -115.08 -23.49 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.826 0.85 . . . . 0.0 112.643 -168.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.6 mp -135.76 134.06 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.34 1.856 . . . . 0.0 109.537 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -149.48 128.28 12.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.928 0.891 . . . . 0.0 111.481 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -158.63 114.49 2.66 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.824 2.05 . . . . 0.0 109.065 176.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.24 144.21 41.76 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.687 1.195 . . . . 0.0 112.158 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.85 -29.49 1.02 Allowed Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.812 1.196 . . . . 0.0 114.025 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 29.7 p -68.43 158.7 33.1 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.107 1.363 . . . . 0.0 112.536 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -132.55 2.41 3.79 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -174.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -144.15 155.03 43.75 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.277 1.431 . . . . 0.0 111.793 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -133.72 2.4 3.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.753 1.621 . . . . 0.0 113.192 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 74.5 p -142.96 18.89 1.96 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.609 1.564 . . . . 0.0 113.662 -166.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 17.6 m -53.68 145.98 14.35 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.834 1.654 . . . . 0.0 114.091 -176.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 17.6 tt -60.51 148.68 8.28 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.737 1.215 . . . . 0.0 112.628 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.491 1.516 . . . . 0.0 113.378 176.124 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.4 tptt . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 119.24 -0.409 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -70.5 165.23 23.08 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.725 1.21 . . . . 0.0 112.045 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -140.01 129.15 23.71 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.693 1.597 . . . . 0.0 110.089 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -139.57 79.12 1.7 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.141 1.776 . . . . 0.0 109.785 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.2 t -64.98 150.94 47.15 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.995 -1.066 . . . . 0.0 113.316 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.6 t -134.46 131.16 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 127.416 2.287 . . . . 0.0 108.305 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -141.07 143.58 34.44 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.468 1.107 . . . . 0.0 111.635 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -164.32 -177.7 5.07 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.208 1.403 . . . . 0.0 111.887 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -129.9 142.31 50.67 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.35 1.46 . . . . 0.0 111.98 -177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.07 170.9 11.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.047 2.139 . . . . 0.0 111.488 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.6 m -82.62 161.74 22.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.304 1.042 . . . . 0.0 112.209 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -58.82 -55.56 33.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.202 1.001 . . . . 0.0 112.925 -173.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -68.23 -38.03 81.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.14 0.976 . . . . 0.0 111.84 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -58.21 -52.71 64.45 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.83 1.252 . . . . 0.0 111.803 174.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.42 -38.37 89.73 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.875 -0.516 . . . . 0.0 112.196 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.67 -41.63 95.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.289 0.95 . . . . 0.0 113.076 174.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.7 t -63.04 -47.48 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.526 -0.734 . . . . 0.0 111.114 172.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.22 -42.57 86.55 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.029 0.831 . . . . 0.0 111.777 174.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.55 -41.78 99.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.848 1.259 . . . . 0.0 112.334 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.46 -50.93 69.49 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.654 1.115 . . . . 0.0 111.678 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.6 -31.77 73.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.144 0.578 . . . . 0.0 112.435 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.84 -58.57 5.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.472 0.709 . . . . 0.0 111.467 168.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.0 -26.27 47.86 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.641 1.576 . . . . 0.0 114.454 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -55.85 -27.7 52.89 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 169.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -143.63 -42.58 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -173.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -146.15 85.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 127.954 2.501 . . . . 0.0 108.194 -172.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.32 -18.9 42.04 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.607 2.076 . . . . 0.0 116.607 -169.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -67.19 87.31 0.16 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.639 1.576 . . . . 0.0 111.808 173.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.86 -39.69 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.48 1.512 . . . . 0.0 112.698 -174.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -55.29 -52.27 63.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.307 1.043 . . . . 0.0 113.244 172.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -64.41 -44.21 91.99 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.401 1.08 . . . . 0.0 111.656 176.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.51 -50.05 70.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.837 0.855 . . . . 0.0 112.668 175.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.4 t -66.89 -42.99 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.593 -0.692 . . . . 0.0 111.3 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -53.36 -49.61 66.8 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.156 0.983 . . . . 0.0 112.086 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -62.81 -45.7 91.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.489 1.516 . . . . 0.0 112.036 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -54.49 -49.12 70.9 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.542 1.137 . . . . 0.0 112.784 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.427 HD11 HD11 ' B' ' 57' ' ' ILE . 42.3 mt -65.54 -51.2 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 123.165 0.586 . . . . 0.0 109.962 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.52 -50.19 70.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.527 0.731 . . . . 0.0 111.605 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 85.6 m -80.53 -27.81 37.54 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.66 -27.15 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.164 0.893 . . . . 0.0 112.657 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.1 mt -136.47 145.83 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.081 1.752 . . . . 0.0 109.412 -171.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -137.84 114.91 10.85 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.967 0.907 . . . . 0.0 111.887 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -149.01 44.13 0.98 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.148 1.779 . . . . 0.0 110.387 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -50.48 136.79 20.2 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.642 1.977 . . . . 0.0 113.132 -171.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.88 177.56 45.93 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.786 1.66 . . . . 0.0 112.46 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.7 p -58.9 132.04 52.78 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.006 0.922 . . . . 0.0 111.823 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -156.16 164.55 38.24 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.681 1.192 . . . . 0.0 112.614 -172.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -156.31 166.24 34.02 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.69 1.596 . . . . 0.0 111.466 174.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -148.68 170.56 17.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.744 1.217 . . . . 0.0 112.145 169.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 m -132.01 25.26 4.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.29 1.436 . . . . 0.0 112.418 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -64.01 154.94 32.63 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.894 0.877 . . . . 0.0 113.076 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 tt -61.22 143.94 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.764 1.226 . . . . 0.0 112.036 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.255 1.422 . . . . 0.0 113.351 178.068 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -68.52 160.86 29.05 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.413 1.085 . . . . 0.0 112.575 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -141.09 156.43 45.99 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.577 1.951 . . . . 0.0 109.913 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.83 110.76 16.29 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.716 1.607 . . . . 0.0 109.994 -174.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 8.6 p -82.21 159.94 23.13 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -168.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -137.18 137.41 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.757 1.623 . . . . 0.0 108.63 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -155.57 125.76 6.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.37 1.068 . . . . 0.0 110.779 -175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -157.03 156.1 32.33 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.116 0.967 . . . . 0.0 112.638 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -81.19 138.69 35.82 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.532 -0.73 . . . . 0.0 112.127 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -110.54 -177.52 3.25 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.428 1.491 . . . . 0.0 109.363 154.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 8.3 t -121.4 174.0 7.02 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.762 1.625 . . . . 0.0 111.419 169.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -54.95 -47.62 74.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.636 1.574 . . . . 0.0 113.651 -162.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.37 -52.43 40.11 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -65.79 -35.88 81.94 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.326 -0.859 . . . . 0.0 112.555 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -66.06 -45.66 80.55 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 118.67 0.668 . . . . 0.0 111.147 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.75 -42.1 83.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.369 1.067 . . . . 0.0 112.743 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.38 -53.2 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.582 -0.699 . . . . 0.0 111.359 172.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.07 -36.11 80.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.82 0.736 . . . . 0.0 112.587 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.62 -43.45 98.77 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.963 1.705 . . . . 0.0 112.292 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -69.01 -44.66 72.32 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.696 0.798 . . . . 0.0 112.164 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.56 -35.9 77.17 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 175.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.59 -56.27 11.5 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.601 169.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.89 -27.55 31.05 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.345 1.458 . . . . 0.0 114.565 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.47 -25.41 25.12 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 170.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -141.22 -39.17 0.4 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.72 96.83 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 127.215 2.206 . . . . 0.0 109.241 -174.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.87 -14.57 15.86 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.6 t -67.48 88.64 0.21 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.07 1.348 . . . . 0.0 111.426 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.02 -37.4 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.299 1.04 . . . . 0.0 112.626 -172.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -61.75 -49.61 75.71 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -71.97 -33.08 67.89 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.336 0.971 . . . . 0.0 112.088 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -57.28 -48.77 78.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.028 0.931 . . . . 0.0 112.319 168.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.02 -44.84 99.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.51 0.724 . . . . 0.0 111.086 175.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -60.13 -44.1 95.18 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.129 -0.982 . . . . 0.0 112.586 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -45.34 87.96 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.17 1.388 . . . . 0.0 111.754 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -56.84 -48.89 77.0 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.586 1.154 . . . . 0.0 112.369 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.427 HD11 HD11 ' A' ' 57' ' ' ILE . 58.1 mt -65.17 -45.52 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.477 0.711 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.93 -51.75 67.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.254 1.022 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -60.55 -36.99 79.78 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.797 1.239 . . . . 0.0 113.025 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.5 m -68.29 -29.62 68.44 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.251 1.02 . . . . 0.0 112.948 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -116.26 -24.16 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -166.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 33.9 mm -129.46 140.43 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.96 1.704 . . . . 0.0 110.036 -174.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -142.3 94.62 2.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.347 1.459 . . . . 0.0 110.416 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -148.49 74.59 1.28 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.37 1.468 . . . . 0.0 110.918 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.14 160.49 8.14 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.324 1.45 . . . . 0.0 113.058 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.96 -38.97 0.06 OUTLIER Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.843 1.211 . . . . 0.0 113.448 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 33.1 p -138.76 150.83 46.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.355 1.862 . . . . 0.0 110.752 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -157.95 170.03 23.25 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.826 1.25 . . . . 0.0 112.397 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.97 160.3 44.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.093 1.757 . . . . 0.0 111.05 171.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -154.32 173.94 15.5 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.814 1.245 . . . . 0.0 112.877 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 38.7 m -130.45 27.31 5.03 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.395 1.478 . . . . 0.0 112.66 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.9 m 57.13 23.16 8.24 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.24 1.816 . . . . 0.0 115.124 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.5 148.67 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 C-N-CA 124.988 1.315 . . . . 0.0 112.293 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.281 1.432 . . . . 0.0 113.501 177.146 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.499 2.02 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -125.11 10.77 8.16 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -129.86 146.64 51.58 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.704 1.602 . . . . 0.0 110.225 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -140.96 149.24 41.56 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.489 1.915 . . . . 0.0 110.041 -165.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.75 157.22 30.15 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.615 -0.678 . . . . 0.0 112.657 -165.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.4 t -139.4 131.66 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.245 1.418 . . . . 0.0 109.376 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 p -141.24 143.3 34.07 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.735 1.214 . . . . 0.0 111.123 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -165.44 -174.48 3.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.465 1.506 . . . . 0.0 111.473 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -125.23 146.18 49.64 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.811 1.244 . . . . 0.0 112.638 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.9 mt -122.77 160.47 25.89 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.06 1.744 . . . . 0.0 111.097 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 p -71.18 158.2 36.84 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.896 166.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.55 -41.6 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.771 -0.581 . . . . 0.0 111.994 172.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.26 -49.74 53.37 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.872 0.869 . . . . 0.0 112.546 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.75 -34.38 69.45 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.283 -0.886 . . . . 0.0 112.037 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -64.13 -43.62 94.68 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.538 171.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -60.43 -43.96 96.27 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.665 1.121 . . . . 0.0 112.648 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.93 -48.77 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.883 0.765 . . . . 0.0 111.262 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.9 -37.34 85.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -63.47 -38.51 91.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.059 1.344 . . . . 0.0 112.426 174.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -64.67 -49.95 68.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.896 1.279 . . . . 0.0 111.14 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -37.73 84.16 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.488 0.715 . . . . 0.0 111.98 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.8 68.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.977 0.911 . . . . 0.0 111.853 171.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -56.71 -31.72 64.77 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.458 1.026 . . . . 0.0 113.499 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.32 -8.66 19.19 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 170.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -141.14 -56.45 0.49 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.67 1.577 . . . . 0.0 114.475 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.72 94.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.98 2.912 . . . . 0.0 108.68 -173.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -10.37 8.89 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 -167.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -64.07 77.86 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.761 2.024 . . . . 0.0 112.633 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -47.17 -46.86 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 125.652 1.581 . . . . 0.0 114.406 -167.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -67.16 -33.05 74.59 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.959 -1.088 . . . . 0.0 113.366 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -73.34 -40.06 64.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 111.273 173.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -56.77 -45.97 81.78 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.654 0.781 . . . . 0.0 112.013 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.81 -44.81 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.389 -0.82 . . . . 0.0 111.204 175.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -55.4 -46.86 76.56 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.386 0.994 . . . . 0.0 112.235 172.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -60.06 -47.45 85.82 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.666 1.587 . . . . 0.0 111.636 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -54.55 -46.72 73.7 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.524 1.53 . . . . 0.0 112.7 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.05 -48.21 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 123.605 0.762 . . . . 0.0 110.039 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.7 tt -50.81 -59.16 4.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.874 0.87 . . . . 0.0 110.95 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -3.66 3.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 m -110.38 -10.97 14.56 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.144 1.378 . . . . 0.0 112.536 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.92 -22.67 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.696 1.199 . . . . 0.0 112.508 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -134.56 142.16 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.241 1.816 . . . . 0.0 109.963 -170.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -135.39 20.84 3.39 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -166.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -147.51 104.62 3.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.867 1.667 . . . . 0.0 110.907 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -64.78 169.23 5.28 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.318 1.447 . . . . 0.0 112.978 170.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.15 -25.99 0.06 OUTLIER Glycine 0 CA--C 1.537 1.424 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 t -151.1 175.41 12.14 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 118.757 1.279 . . . . 0.0 112.398 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -146.35 176.02 10.09 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.868 1.667 . . . . 0.0 112.418 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -140.06 39.54 1.95 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.236 1.414 . . . . 0.0 111.007 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -54.41 120.23 6.32 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.719 1.208 . . . . 0.0 112.844 -177.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.5 t -168.23 110.55 0.58 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.962 1.705 . . . . 0.0 109.322 -176.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.3 p -142.15 163.62 32.36 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.384 1.474 . . . . 0.0 112.919 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.9 pt -141.07 164.56 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.156 1.782 . . . . 0.0 111.719 -176.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 m120 . . . . . 0 C--O 1.254 1.341 0 C-N-CA 125.259 1.424 . . . . 0.0 113.068 175.093 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -64.98 162.41 16.64 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.543 1.137 . . . . 0.0 113.592 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -129.22 140.44 51.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.586 1.954 . . . . 0.0 109.591 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -128.15 104.3 7.68 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.764 1.625 . . . . 0.0 109.602 -170.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 7.7 p -74.8 160.87 30.16 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -172.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.03 136.42 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.717 1.607 . . . . 0.0 108.789 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 t -154.47 123.41 6.3 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.567 1.147 . . . . 0.0 111.016 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -154.57 178.84 9.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.688 1.195 . . . . 0.0 112.932 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.45 150.51 50.77 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.603 1.561 . . . . 0.0 112.374 -172.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -140.06 177.22 8.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.749 2.819 . . . . 0.0 110.911 -169.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -92.1 158.08 16.39 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.388 1.075 . . . . 0.0 112.26 169.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -56.34 -51.47 68.14 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.351 1.06 . . . . 0.0 113.69 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -65.56 -40.11 92.43 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.627 0.771 . . . . 0.0 111.802 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -59.74 -49.39 77.9 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.099 1.36 . . . . 0.0 111.994 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -62.33 -44.15 97.17 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.922 -0.561 . . . . 0.0 111.424 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.45 -38.11 83.13 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.173 0.897 . . . . 0.0 113.386 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.68 -49.89 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.215 -0.928 . . . . 0.0 111.004 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.61 -37.31 80.99 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.137 0.88 . . . . 0.0 112.556 175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -64.4 -41.87 96.41 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.618 1.967 . . . . 0.0 112.378 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -65.82 -47.36 75.3 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.773 0.715 . . . . 0.0 111.468 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.2 -36.31 77.37 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.401 0.681 . . . . 0.0 112.095 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.81 -57.04 9.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.742 0.817 . . . . 0.0 111.51 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.92 -28.37 36.44 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.11 -20.97 60.86 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.496 1.518 . . . . 0.0 114.785 173.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -144.31 -45.37 0.25 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 1.3 m -151.2 91.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 128.273 2.629 . . . . 0.0 109.261 -175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -58.87 -20.2 48.95 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 45.1 m -66.84 92.87 0.24 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.615 1.566 . . . . 0.0 111.603 173.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -53.42 -39.66 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 125.039 1.336 . . . . 0.0 113.0 -172.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -57.28 -51.17 70.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.81 0.844 . . . . 0.0 113.001 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -64.89 -42.33 94.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.675 1.19 . . . . 0.0 111.835 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -56.67 -50.59 71.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 112.43 174.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.5 t -65.11 -43.27 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.735 0.698 . . . . 0.0 111.238 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -54.75 -50.03 69.39 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.289 0.949 . . . . 0.0 111.433 173.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.04 -43.56 98.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.195 1.398 . . . . 0.0 112.623 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -56.3 -47.63 78.28 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.135 1.374 . . . . 0.0 112.193 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 80.0 mt -65.71 -49.49 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tt -54.45 -50.96 66.46 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.508 0.723 . . . . 0.0 111.007 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -58.84 -40.75 85.15 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.332 1.053 . . . . 0.0 113.02 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.3 m -76.05 -27.07 57.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.04 -25.66 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 119.568 1.076 . . . . 0.0 112.73 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.5 60.97 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.275 1.83 . . . . 0.0 109.27 -171.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -45.99 -36.35 5.51 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.847 2.059 . . . . 0.0 114.885 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -138.12 95.39 3.01 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.246 1.818 . . . . 0.0 110.093 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -60.54 163.41 5.38 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.936 1.294 . . . . 0.0 113.463 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.11 -178.86 48.59 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.59 1.091 . . . . 0.0 114.859 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -142.31 168.03 20.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.541 1.937 . . . . 0.0 111.727 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -121.15 4.05 10.38 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.844 1.258 . . . . 0.0 113.571 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -153.37 156.34 38.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.083 1.753 . . . . 0.0 110.259 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -144.63 176.12 9.65 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.94 1.296 . . . . 0.0 111.877 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 50.5 m -139.86 33.9 1.98 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.96 2.104 . . . . 0.0 111.162 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 34.2 m 54.69 38.31 29.8 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.093 1.757 . . . . 0.0 113.4 -169.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 50.9 mm -66.25 139.02 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.833 1.253 . . . . 0.0 111.025 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 127.602 2.361 . . . . 0.0 114.314 -179.173 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? . . . . . 0 N--CA 1.5 2.028 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -70.64 166.01 21.66 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.763 1.225 . . . . 0.0 112.549 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -133.86 134.47 42.77 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.244 1.818 . . . . 0.0 109.795 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -125.27 107.29 10.57 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.368 1.467 . . . . 0.0 110.151 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 p -78.94 159.84 27.52 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -169.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.8 t -138.03 134.92 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.48 1.512 . . . . 0.0 108.428 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 t -152.98 122.27 6.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.148 0.979 . . . . 0.0 111.189 -174.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -155.54 -177.37 6.5 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.911 1.285 . . . . 0.0 112.425 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -122.94 152.85 40.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.363 1.465 . . . . 0.0 112.566 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -133.67 177.18 7.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.551 2.74 . . . . 0.0 109.19 173.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -105.82 168.95 8.77 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.632 1.173 . . . . 0.0 111.438 170.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -56.95 -42.97 81.03 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.913 1.285 . . . . 0.0 113.413 -166.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.82 -54.62 24.45 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.501 0.591 . . . . 0.0 112.554 -176.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.9 pm0 -63.95 -37.2 86.53 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.155 -0.966 . . . . 0.0 112.549 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -66.24 -41.55 89.85 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.114 0.87 . . . . 0.0 111.92 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.15 -42.26 94.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.334 1.054 . . . . 0.0 112.721 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.11 -50.34 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.342 0.657 . . . . 0.0 111.216 173.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.78 -42.61 97.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.845 0.748 . . . . 0.0 112.004 176.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -58.98 -47.01 86.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.144 1.378 . . . . 0.0 112.368 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -69.66 -43.97 71.47 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.772 0.715 . . . . 0.0 112.16 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.59 -32.15 73.53 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.277 0.631 . . . . 0.0 112.33 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 0.0 112.35 167.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.27 -31.59 65.74 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.314 1.046 . . . . 0.0 113.503 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -62.76 -21.46 65.85 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 173.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.5 -13.8 0.13 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 -169.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -135.92 -27.83 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 125.553 1.541 . . . . 0.0 113.118 -174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 65.17 0.5 1.3 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.841 2.164 . . . . 0.0 116.841 174.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.3 m -138.73 110.06 6.94 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.709 1.604 . . . . 0.0 110.235 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.13 -38.92 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.946 0.899 . . . . 0.0 112.787 -168.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -59.97 -49.51 77.4 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.385 -0.822 . . . . 0.0 112.699 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.16 -41.36 99.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.626 1.17 . . . . 0.0 111.539 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.09 -48.04 83.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.554 0.742 . . . . 0.0 112.382 174.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.37 -45.54 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 119.312 0.96 . . . . 0.0 111.802 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -38.66 87.92 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 120.588 1.54 . . . . 0.0 112.684 174.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.37 -40.67 93.82 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.984 1.314 . . . . 0.0 112.596 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -58.72 -48.97 79.32 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.592 1.557 . . . . 0.0 112.193 172.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.07 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.476 0.711 . . . . 0.0 110.743 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.5 -57.79 10.84 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.9 0.88 . . . . 0.0 111.25 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.17 -36.18 74.86 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.961 1.304 . . . . 0.0 113.538 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.0 m -68.15 -23.49 64.89 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.948 0.899 . . . . 0.0 113.073 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.2 mt -119.93 -25.75 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.137 0.975 . . . . 0.0 112.449 -168.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.1 mt -138.34 138.48 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 126.341 1.856 . . . . 0.0 109.489 -175.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -140.28 103.78 4.66 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.67 1.188 . . . . 0.0 109.979 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -151.38 105.93 3.24 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.726 1.61 . . . . 0.0 109.93 -169.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -128.41 27.24 5.6 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 126.229 1.812 . . . . 0.0 113.359 -169.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.92 21.77 5.82 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.825 1.679 . . . . 0.0 114.325 -175.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.4 p -70.88 167.03 19.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.555 1.542 . . . . 0.0 113.199 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -131.14 17.1 5.04 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.225 1.41 . . . . 0.0 112.958 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -140.27 166.9 23.43 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.12 1.768 . . . . 0.0 111.521 -176.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -147.0 173.7 12.21 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.401 1.48 . . . . 0.0 112.529 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.7 m -110.0 13.63 23.29 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.865 1.266 . . . . 0.0 114.017 -171.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t 52.43 36.28 19.7 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.77 1.628 . . . . 0.0 114.082 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.4 tp -61.47 149.65 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.895 1.278 . . . . 0.0 112.233 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 124.968 1.307 . . . . 0.0 113.937 177.544 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 110.806 -0.072 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -62.95 166.06 6.15 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.862 1.265 . . . . 0.0 113.622 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -128.71 139.21 52.33 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.454 1.902 . . . . 0.0 108.628 168.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -125.16 98.03 5.49 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.75 1.22 . . . . 0.0 110.135 -169.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.3 p -78.09 159.45 28.66 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -171.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.1 t -141.91 125.95 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.726 1.611 . . . . 0.0 108.844 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.4 p -143.01 137.0 29.0 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.466 1.106 . . . . 0.0 111.5 -176.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -165.62 -174.81 3.25 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.119 1.368 . . . . 0.0 112.187 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -126.06 152.68 45.49 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.662 1.585 . . . . 0.0 112.289 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.3 mt -133.81 170.71 15.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.477 2.311 . . . . 0.0 110.326 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 28.7 t -78.76 158.74 28.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.568 0.747 . . . . 0.0 111.879 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -59.24 -52.05 67.35 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.717 1.207 . . . . 0.0 112.914 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.81 -37.76 79.44 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.863 0.465 . . . . 0.0 111.791 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -59.17 -51.94 67.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.93 1.292 . . . . 0.0 111.968 172.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.98 -38.44 91.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.292 0.637 . . . . 0.0 112.036 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.88 -39.26 93.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.7 -46.34 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 121.252 -0.905 . . . . 0.0 110.986 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.74 -40.05 86.79 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.533 0.606 . . . . 0.0 111.877 173.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.53 -40.47 97.11 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.146 1.378 . . . . 0.0 112.851 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -64.02 -47.29 80.86 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.279 0.945 . . . . 0.0 111.735 173.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -37.54 87.85 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.013 0.525 . . . . 0.0 111.682 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.58 -47.14 82.7 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.949 0.899 . . . . 0.0 111.944 170.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -58.88 -32.38 69.44 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.037 -1.664 . . . . 0.0 113.082 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -66.24 -25.55 66.95 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 169.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -159.92 92.37 1.01 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 126.033 1.733 . . . . 0.0 113.094 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 14.9 t 70.61 85.7 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 127.155 2.182 . . . . 0.0 112.991 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -51.89 -30.59 24.74 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -170.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.5 m -60.06 92.62 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.581 1.552 . . . . 0.0 112.764 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.9 -41.32 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.997 1.319 . . . . 0.0 113.349 -166.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -64.9 -41.73 95.35 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.389 -0.819 . . . . 0.0 113.033 176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -70.68 -35.27 72.73 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.867 0.867 . . . . 0.0 112.056 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -59.71 -48.02 83.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.16 0.984 . . . . 0.0 112.04 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.32 -43.91 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 121.356 -0.84 . . . . 0.0 111.687 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -51.23 -51.7 51.49 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.354 1.062 . . . . 0.0 111.691 170.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -62.72 -42.89 99.88 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 112.565 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -55.18 -48.04 74.35 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.832 1.253 . . . . 0.0 112.405 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.5 mt -66.55 -46.66 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.335 0.654 . . . . 0.0 110.712 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 mt -55.67 -50.29 70.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.318 0.647 . . . . 0.0 111.929 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.79 -38.04 83.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.773 0.829 . . . . 0.0 112.979 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.2 m -74.18 -32.7 63.18 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.805 0.842 . . . . 0.0 112.965 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mm -111.35 -27.9 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.927 0.891 . . . . 0.0 113.265 -166.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 8.5 mm -129.96 88.63 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.605 1.562 . . . . 0.0 109.306 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -57.41 -31.81 66.23 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -165.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -151.35 56.15 0.87 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.191 1.396 . . . . 0.0 112.947 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -48.8 139.27 10.06 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.01 1.324 . . . . 0.0 112.282 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.02 31.98 4.19 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.485 1.516 . . . . 0.0 115.427 -173.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 3.6 m -55.51 145.66 22.31 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.369 1.468 . . . . 0.0 112.033 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.29 21.52 4.03 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.425 1.09 . . . . 0.0 113.063 -169.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -70.22 161.96 29.31 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.134 0.974 . . . . 0.0 111.775 172.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -148.17 145.71 28.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.804 1.242 . . . . 0.0 112.045 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 8.1 t -153.63 59.62 0.75 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.347 1.459 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -60.51 157.34 14.36 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.717 1.207 . . . . 0.0 113.982 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 45.6 pt -141.03 163.7 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.171 1.788 . . . . 0.0 111.572 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 14.2 t30 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.166 1.387 . . . . 0.0 113.068 175.249 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.7 tptt . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -56.36 133.56 52.97 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.177 0.991 . . . . 0.0 111.634 177.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -150.02 133.76 16.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.389 1.476 . . . . 0.0 110.464 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.94 138.62 40.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.7 1.6 . . . . 0.0 109.456 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -119.46 155.86 31.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -162.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.3 t -136.57 124.77 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.196 1.398 . . . . 0.0 108.794 -175.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.6 p -143.63 125.62 15.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.419 1.087 . . . . 0.0 111.375 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -158.89 -174.88 4.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.621 1.169 . . . . 0.0 112.649 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -130.69 152.11 50.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.687 1.595 . . . . 0.0 112.923 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.28 172.63 12.7 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.549 2.34 . . . . 0.0 110.638 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -77.01 158.02 30.83 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.214 1.005 . . . . 0.0 111.726 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -57.74 -47.5 82.27 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.626 1.17 . . . . 0.0 112.944 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.03 -42.32 80.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.995 0.518 . . . . 0.0 111.734 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -58.58 -49.9 75.76 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.48 0.712 . . . . 0.0 111.552 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.38 -40.17 96.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.755 -0.641 . . . . 0.0 112.171 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.87 -37.98 89.45 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.563 1.074 . . . . 0.0 113.253 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.3 t -62.05 -48.3 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 121.391 -0.818 . . . . 0.0 111.053 171.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.09 -41.02 91.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.704 0.684 . . . . 0.0 112.003 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -45.29 91.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.454 1.502 . . . . 0.0 112.408 177.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -65.11 -51.43 61.36 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.507 1.049 . . . . 0.0 111.315 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.2 tp -58.0 -37.85 75.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.27 1.028 . . . . 0.0 112.277 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -58.32 5.54 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.871 1.268 . . . . 0.0 111.555 170.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -54.98 -26.59 37.74 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.305 1.442 . . . . 0.0 114.824 -176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -55.16 -19.97 9.12 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 167.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -143.18 -33.01 0.45 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.1 t -148.6 95.21 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 128.259 2.624 . . . . 0.0 108.25 -169.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -50.87 -35.15 31.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.041 1.336 . . . . 0.0 114.141 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 m -69.74 86.67 0.49 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.631 1.572 . . . . 0.0 112.521 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.44 -43.6 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.996 1.718 . . . . 0.0 113.107 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -64.59 -39.23 93.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -73.1 -33.72 65.75 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.418 -0.801 . . . . 0.0 112.056 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -58.62 -46.06 87.89 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.935 -1.103 . . . . 0.0 111.831 166.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.16 -45.39 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.469 -0.769 . . . . 0.0 111.601 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -51.47 -50.91 58.92 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.176 0.99 . . . . 0.0 111.712 171.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.51 -43.52 98.72 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.213 1.405 . . . . 0.0 112.659 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -55.75 -47.25 77.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.82 1.248 . . . . 0.0 112.505 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.38 -51.04 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.118 0.567 . . . . 0.0 109.969 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 63.3 mt -53.72 -51.54 62.99 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.392 0.677 . . . . 0.0 111.925 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -35.33 68.9 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.153 1.381 . . . . 0.0 113.254 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.5 m -81.6 -38.39 26.13 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.691 0.796 . . . . 0.0 112.563 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mm -83.51 -34.19 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.551 1.14 . . . . 0.0 112.77 -172.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.9 tt -145.68 150.97 15.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 C-N-CA 124.043 0.937 . . . . 0.0 112.115 -171.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -132.4 34.84 3.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.368 1.467 . . . . 0.0 112.356 -165.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -127.17 57.56 1.48 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.385 1.874 . . . . 0.0 111.297 -174.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -51.57 147.85 5.9 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.671 1.989 . . . . 0.0 113.103 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.5 178.72 40.25 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.335 1.445 . . . . 0.0 113.003 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.3 p -66.63 151.08 48.05 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.285 1.034 . . . . 0.0 112.92 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -146.25 161.01 41.21 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.835 1.654 . . . . 0.0 111.375 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -152.59 154.16 34.83 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.611 1.565 . . . . 0.0 110.808 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.6 175.48 9.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.412 1.485 . . . . 0.0 112.112 173.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -142.09 37.86 1.58 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.892 1.277 . . . . 0.0 111.485 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 t -61.55 152.74 29.5 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.159 -0.963 . . . . 0.0 113.04 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.11 14.36 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 126.303 1.841 . . . . 0.0 112.951 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.156 1.783 . . . . 0.0 112.477 -178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tmmm? . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -64.1 152.92 39.14 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.817 1.247 . . . . 0.0 112.071 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -134.3 155.71 49.73 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.16 1.784 . . . . 0.0 110.322 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -124.14 112.09 16.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.906 1.683 . . . . 0.0 110.333 -173.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 18.2 p -87.25 159.2 18.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -166.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.64 123.57 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.336 1.454 . . . . 0.0 108.437 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.5 p -143.69 125.31 14.95 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.321 1.048 . . . . 0.0 111.673 -171.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -159.44 -178.51 7.19 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.227 1.011 . . . . 0.0 113.259 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -123.96 155.22 38.57 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.102 1.761 . . . . 0.0 112.961 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.5 mt -143.05 174.35 10.76 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 128.915 2.886 . . . . 0.0 110.343 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.0 m -84.23 158.8 21.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.789 1.236 . . . . 0.0 111.703 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.29 -48.69 76.14 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.31 1.044 . . . . 0.0 113.516 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.41 -38.44 81.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.939 0.496 . . . . 0.0 112.26 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -62.42 -49.02 77.13 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.672 -0.642 . . . . 0.0 111.456 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -63.01 -38.17 90.13 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.983 -0.448 . . . . 0.0 112.16 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.19 -43.13 96.13 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.874 0.761 . . . . 0.0 112.534 171.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.82 -46.83 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.31 0.959 . . . . 0.0 111.54 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.29 -44.14 95.63 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.409 1.004 . . . . 0.0 111.961 174.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -60.7 -41.54 95.4 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.71 1.204 . . . . 0.0 112.514 175.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -64.81 -49.6 70.0 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.176 1.39 . . . . 0.0 111.75 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.39 -34.68 77.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.061 0.945 . . . . 0.0 112.298 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.06 -54.14 20.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.39 0.676 . . . . 0.0 111.755 170.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.47 -24.9 48.91 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.514 1.925 . . . . 0.0 114.39 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.6 -21.45 2.58 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 166.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -136.14 -50.47 0.7 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.556 1.542 . . . . 0.0 113.503 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -158.58 108.36 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.568 2.747 . . . . 0.0 108.653 -175.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.01 71.3 0.09 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.205 1.802 . . . . 0.0 113.685 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.4 m -143.39 74.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.281 2.232 . . . . 0.0 110.199 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.86 -38.41 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 124.531 1.132 . . . . 0.0 113.162 -172.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -56.83 -52.99 62.91 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.017 0.927 . . . . 0.0 113.079 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.8 t -65.79 -42.21 91.01 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.544 1.138 . . . . 0.0 111.66 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -56.78 -50.83 71.13 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.547 1.139 . . . . 0.0 112.158 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 64.6 t -63.67 -43.05 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.533 0.606 . . . . 0.0 111.408 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.74 -54.69 34.49 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 118.97 0.805 . . . . 0.0 112.004 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -68.46 -34.14 75.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -54.07 -48.51 70.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.35 1.06 . . . . 0.0 111.842 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 57.6 mt -66.34 -48.08 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.357 0.663 . . . . 0.0 110.679 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.24 -14.72 52.49 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -110.47 10.47 23.23 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.696 1.998 . . . . 0.0 113.359 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 29.0 p -131.47 -39.26 1.15 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.278 1.031 . . . . 0.0 113.549 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 25.0 mm -74.2 -24.97 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.245 1.018 . . . . 0.0 111.304 168.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -138.92 165.17 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 127.631 2.373 . . . . 0.0 107.752 176.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -148.76 137.43 21.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.429 1.092 . . . . 0.0 110.215 168.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -159.47 123.2 3.76 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.309 1.844 . . . . 0.0 109.019 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -125.92 167.53 15.14 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.583 1.953 . . . . 0.0 112.523 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.26 34.99 0.07 OUTLIER Glycine 0 CA--C 1.534 1.272 0 N-CA-C 115.522 0.969 . . . . 0.0 115.522 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 36.3 p -135.66 149.32 49.25 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.038 1.335 . . . . 0.0 112.061 -174.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -70.68 -22.19 62.5 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -172.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -67.52 -9.36 41.67 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.47 -12.81 56.09 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.389 1.476 . . . . 0.0 114.487 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 95.1 p -70.65 -5.61 30.79 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 98.9 p -153.62 168.29 26.71 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.7 1.6 . . . . 0.0 112.965 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.32 135.11 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 126.031 1.732 . . . . 0.0 108.701 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.851 1.66 . . . . 0.0 111.561 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 119.892 -0.099 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 43.92 52.11 6.73 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.323 2.249 . . . . 0.0 114.812 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.14 121.28 11.47 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.398 1.479 . . . . 0.0 109.494 176.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -129.29 111.06 12.48 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.027 1.731 . . . . 0.0 109.727 -171.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 p -81.85 158.09 24.16 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -166.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.85 125.93 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.612 1.565 . . . . 0.0 108.833 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 p -143.69 121.12 11.67 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.192 0.997 . . . . 0.0 111.838 -172.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -154.91 -172.17 4.1 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.345 1.058 . . . . 0.0 112.697 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.84 151.55 48.18 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.729 1.612 . . . . 0.0 112.718 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -130.68 173.81 10.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.375 2.27 . . . . 0.0 110.217 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.3 m -82.05 156.54 24.56 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.115 0.966 . . . . 0.0 111.748 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -55.48 -52.81 62.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.292 1.037 . . . . 0.0 113.568 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.72 -40.84 88.57 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.98 0.512 . . . . 0.0 112.049 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -58.41 -52.12 66.96 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.103 0.961 . . . . 0.0 111.763 173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -62.22 -40.87 97.54 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.018 0.527 . . . . 0.0 111.999 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -61.99 -42.15 98.82 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.6 -48.56 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.228 -0.92 . . . . 0.0 110.836 173.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.29 -35.14 76.51 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.714 -0.616 . . . . 0.0 112.224 175.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -63.93 -43.73 95.02 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.334 1.454 . . . . 0.0 112.555 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -66.14 -44.45 84.14 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.16 0.891 . . . . 0.0 111.847 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.69 -37.08 80.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.02 0.528 . . . . 0.0 112.348 173.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.37 76.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.791 0.837 . . . . 0.0 112.625 172.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.96 -33.31 71.76 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.694 1.134 . . . . 0.0 112.516 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -68.99 -10.6 58.31 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 171.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -136.46 -48.4 0.64 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -165.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 m -142.25 -7.82 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.843 1.657 . . . . 0.0 114.879 -169.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 69.93 6.21 5.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.501 2.038 . . . . 0.0 116.501 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.6 p -147.56 133.81 19.48 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.895 -1.128 . . . . 0.0 113.355 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -69.05 -38.85 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.915 0.886 . . . . 0.0 112.265 -169.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -68.39 -38.11 81.01 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.401 -0.812 . . . . 0.0 112.671 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.418 0.687 . . . . 0.0 111.489 170.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.87 -42.76 90.23 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.773 0.829 . . . . 0.0 112.876 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.4 t -64.69 -43.21 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 121.323 -0.861 . . . . 0.0 111.969 172.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.65 -40.66 92.82 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.816 -1.178 . . . . 0.0 111.643 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -62.56 -44.76 95.53 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.246 1.418 . . . . 0.0 112.583 171.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -54.63 -40.84 69.37 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.351 1.061 . . . . 0.0 112.289 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.6 mt -68.83 -43.28 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.058 -1.026 . . . . 0.0 110.99 174.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.54 -8.63 14.62 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -103.93 -24.64 13.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.921 1.688 . . . . 0.0 114.431 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.5 p -128.36 -10.02 5.2 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -168.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.05 -25.37 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 126.818 2.047 . . . . 0.0 110.682 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 58.1 mt -126.55 155.25 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 127.184 2.194 . . . . 0.0 107.119 164.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -148.96 95.59 2.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.59 1.156 . . . . 0.0 110.487 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -135.73 44.93 2.46 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.118 1.767 . . . . 0.0 111.532 -170.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -51.42 134.41 28.62 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.724 1.61 . . . . 0.0 112.282 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.3 -31.5 1.16 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.127 1.346 . . . . 0.0 113.844 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.6 p -141.21 167.17 22.82 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.509 1.923 . . . . 0.0 111.708 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -149.04 175.18 11.54 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.138 1.375 . . . . 0.0 112.224 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -134.01 170.89 14.97 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.78 1.632 . . . . 0.0 111.086 174.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -149.98 152.84 35.58 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.541 1.536 . . . . 0.0 111.379 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 t -152.83 95.47 1.99 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.982 1.313 . . . . 0.0 110.323 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.9 p -71.83 37.61 0.06 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.928 2.491 . . . . 0.0 115.685 -172.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -53.58 130.64 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.74 1.616 . . . . 0.0 111.057 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.5 t30 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 125.585 1.554 . . . . 0.0 113.394 178.536 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 N--CA 1.495 1.825 0 N-CA-C 111.181 0.067 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -131.03 163.11 28.31 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 126.288 1.835 . . . . 0.0 110.961 173.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -134.15 133.12 40.64 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.765 1.626 . . . . 0.0 109.715 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.18 109.1 12.45 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.379 1.472 . . . . 0.0 110.14 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 25.5 p -82.87 158.09 22.83 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -166.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -140.42 122.42 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.752 1.621 . . . . 0.0 108.532 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.8 p -142.97 121.7 12.61 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.19 0.996 . . . . 0.0 112.113 -170.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -157.1 -173.24 4.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 -175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -129.33 148.71 51.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.601 1.56 . . . . 0.0 112.532 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -127.9 172.78 10.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.617 2.367 . . . . 0.0 110.666 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -80.15 160.93 25.52 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.963 0.905 . . . . 0.0 111.871 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.55 -52.48 64.26 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.282 1.033 . . . . 0.0 112.9 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.53 -40.01 85.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.852 0.461 . . . . 0.0 111.53 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -56.06 -53.4 57.49 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.936 1.294 . . . . 0.0 111.9 172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -65.48 -38.1 88.78 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.341 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.84 -42.97 99.95 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.798 1.181 . . . . 0.0 113.14 175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.78 -46.79 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.495 -0.753 . . . . 0.0 110.718 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.24 -39.13 85.65 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.686 0.675 . . . . 0.0 112.304 174.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -62.61 -40.78 98.05 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.917 1.287 . . . . 0.0 112.288 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -63.71 -51.65 64.07 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.146 0.978 . . . . 0.0 111.816 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -32.56 74.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.586 0.754 . . . . 0.0 112.482 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.16 -55.45 14.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.064 0.946 . . . . 0.0 111.47 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.83 -27.77 44.7 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.512 1.525 . . . . 0.0 114.219 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.03 -26.08 24.6 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 169.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -143.2 -44.16 0.29 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m -147.07 88.36 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 128.133 2.573 . . . . 0.0 109.645 -174.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -58.18 -16.12 12.35 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -170.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -65.94 84.5 0.08 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.113 1.765 . . . . 0.0 112.001 169.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.413 HG23 ' H ' ' B' ' 49' ' ' VAL . 3.1 t -51.8 -39.68 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.429 1.492 . . . . 0.0 113.172 -174.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -62.89 -42.1 99.65 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 175.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -66.14 -42.68 88.78 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.242 1.017 . . . . 0.0 111.426 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.3 -46.33 79.83 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.885 0.874 . . . . 0.0 112.548 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.88 -44.99 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.404 -0.81 . . . . 0.0 111.648 174.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.64 -44.16 72.96 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 0.0 112.39 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -65.2 -44.52 88.08 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.56 1.544 . . . . 0.0 112.349 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -53.99 -49.57 68.53 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.692 0.797 . . . . 0.0 111.862 171.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.84 -51.71 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.642 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 51.0 tp -54.91 -53.57 53.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.152 0.981 . . . . 0.0 111.847 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.34 -37.72 88.38 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 58.3 m -70.86 -37.76 73.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.316 0.646 . . . . 0.0 112.209 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.6 mt -67.84 -40.85 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 173.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.9 tp -147.56 107.63 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 122.647 1.213 . . . . 0.0 111.667 -176.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -76.16 38.97 0.18 Allowed 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.915 2.086 . . . . 0.0 114.027 -175.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -96.06 79.48 3.22 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.225 1.81 . . . . 0.0 111.052 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -57.98 166.72 1.42 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.27 1.428 . . . . 0.0 112.744 172.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.96 -53.19 0.01 OUTLIER Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.89 1.233 . . . . 0.0 112.09 172.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 9.2 m -67.64 148.87 50.79 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.903 0.881 . . . . 0.0 109.964 161.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -61.92 143.68 56.1 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.672 0.789 . . . . 0.0 111.984 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -154.96 151.89 29.05 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.063 1.345 . . . . 0.0 110.772 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.27 157.49 33.77 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.997 0.919 . . . . 0.0 112.867 163.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 64.8 m -139.01 13.23 2.65 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.015 1.326 . . . . 0.0 113.36 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.8 t -153.34 163.24 40.27 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.253 1.421 . . . . 0.0 111.969 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.2 pt -129.03 10.96 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 126.121 1.768 . . . . 0.0 113.077 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.639 1.576 . . . . 0.0 113.16 177.035 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 119.734 -0.174 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -119.17 -8.96 10.07 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 125.07 1.348 . . . . 0.0 114.523 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -131.78 143.69 50.4 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.058 1.743 . . . . 0.0 110.843 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -141.87 147.06 36.53 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.646 1.978 . . . . 0.0 109.887 -165.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.04 157.34 26.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -164.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.3 t -137.65 125.07 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.082 1.353 . . . . 0.0 109.09 -174.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -141.68 126.6 18.23 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.641 1.176 . . . . 0.0 111.895 -173.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -158.25 -173.4 4.3 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.603 1.161 . . . . 0.0 112.13 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -125.93 152.51 45.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.478 1.511 . . . . 0.0 112.069 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.81 173.8 10.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.965 2.106 . . . . 0.0 110.022 172.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.6 m -81.15 157.7 25.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.952 0.901 . . . . 0.0 111.589 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -56.71 -49.72 74.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.073 0.949 . . . . 0.0 113.198 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.99 -42.04 94.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.429 0.692 . . . . 0.0 111.632 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.31 -48.0 81.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.406 1.082 . . . . 0.0 112.242 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.06 -39.77 94.81 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 118.775 -0.631 . . . . 0.0 112.029 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.74 -45.27 92.69 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.668 1.122 . . . . 0.0 112.997 173.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.83 -52.01 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.243 0.617 . . . . 0.0 110.85 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.14 -34.24 77.19 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 112.796 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.47 -41.78 96.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.286 1.434 . . . . 0.0 112.438 174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.9 ttp-105 -68.91 -45.33 71.15 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.035 0.934 . . . . 0.0 112.572 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -60.49 -36.09 77.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.756 0.822 . . . . 0.0 112.34 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.27 -53.32 31.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.016 0.926 . . . . 0.0 111.71 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -54.88 -27.28 41.5 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 114.255 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -54.26 -25.63 24.47 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 169.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -142.58 -45.19 0.32 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.18 87.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 127.858 2.463 . . . . 0.0 109.833 -173.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -56.78 -18.23 11.97 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -169.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.3 m -66.08 86.8 0.1 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.629 1.572 . . . . 0.0 112.073 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -51.33 -41.3 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 125.302 1.441 . . . . 0.0 113.687 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -67.46 -31.48 71.68 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.015 -1.053 . . . . 0.0 113.203 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.1 t -75.84 -33.38 60.04 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.801 0.84 . . . . 0.0 111.614 172.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.65 -40.64 95.64 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.007 -1.058 . . . . 0.0 112.264 167.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.9 -43.09 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.43 -46.49 76.69 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.158 -0.964 . . . . 0.0 111.926 172.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.53 -47.58 84.99 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.893 1.277 . . . . 0.0 112.072 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -51.79 -44.9 63.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.359 1.064 . . . . 0.0 112.261 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.48 -49.17 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.737 0.815 . . . . 0.0 111.165 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.37 -12.31 13.65 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.388 1.475 . . . . 0.0 114.718 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -119.09 9.04 11.68 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.213 1.805 . . . . 0.0 114.13 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 m -137.25 -41.36 0.57 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.2 mt -86.26 -24.25 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 119.242 0.928 . . . . 0.0 110.421 169.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -126.45 151.46 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 127.054 2.142 . . . . 0.0 108.101 174.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -133.81 -10.21 2.72 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -146.9 97.93 2.97 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.259 1.424 . . . . 0.0 111.064 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -68.89 166.33 18.0 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.71 1.204 . . . . 0.0 111.786 172.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.62 22.34 1.18 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.457 1.027 . . . . 0.0 114.708 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.4 p -143.46 164.79 29.33 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.317 1.847 . . . . 0.0 111.828 -173.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.74 141.58 24.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.083 1.353 . . . . 0.0 111.476 174.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -154.95 152.11 29.31 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.966 1.306 . . . . 0.0 111.11 -176.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -126.26 7.59 7.14 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.977 1.311 . . . . 0.0 113.297 -176.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.0 m -73.88 7.88 2.32 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.641 1.976 . . . . 0.0 115.049 -176.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.3 p -63.69 -5.33 3.95 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.438 1.895 . . . . 0.0 116.0 -174.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.5 pt -74.34 0.58 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.966 1.706 . . . . 0.0 114.434 171.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.578 1.951 . . . . 0.0 113.98 177.886 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? . . . . . 0 N--CA 1.503 2.176 0 CA-C-O 119.626 -0.226 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -116.83 5.46 13.03 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -132.46 131.32 41.59 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.968 1.707 . . . . 0.0 109.802 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -128.26 108.06 10.29 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.367 1.467 . . . . 0.0 109.949 -170.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -80.36 158.7 25.96 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -166.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -138.75 128.76 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.975 1.71 . . . . 0.0 108.193 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.8 t -151.5 119.62 6.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.052 0.941 . . . . 0.0 111.761 -171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -153.56 178.75 9.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.529 1.132 . . . . 0.0 113.131 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -126.38 151.03 48.19 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.654 1.581 . . . . 0.0 112.605 -175.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 82.3 mt -138.91 -174.21 3.78 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 128.758 2.823 . . . . 0.0 109.795 -177.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -101.2 158.35 16.09 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.898 1.279 . . . . 0.0 111.699 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.63 -53.53 55.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.652 0.781 . . . . 0.0 112.645 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.63 -38.33 87.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.981 0.512 . . . . 0.0 112.237 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.91 -50.13 72.08 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.487 0.715 . . . . 0.0 112.051 172.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -63.39 -36.97 85.5 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 118.595 0.634 . . . . 0.0 112.29 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.9 -50.58 72.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.588 1.555 . . . . 0.0 111.657 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.9 t -59.78 -44.43 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 121.324 -0.86 . . . . 0.0 111.686 174.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.06 -39.24 77.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.93 0.786 . . . . 0.0 111.579 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 117.453 -1.26 . . . . 0.0 112.831 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -63.5 -49.55 73.1 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 121.081 1.764 . . . . 0.0 111.834 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.41 -33.06 74.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.393 0.677 . . . . 0.0 112.181 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -53.22 32.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.564 0.745 . . . . 0.0 111.739 168.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -22.83 52.43 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.439 1.896 . . . . 0.0 114.269 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -50.77 -23.38 2.68 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 164.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -137.61 -44.85 0.54 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.422 1.489 . . . . 0.0 114.073 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -167.93 108.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 128.023 2.529 . . . . 0.0 108.521 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -60.32 -12.77 9.97 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -167.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m -58.09 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.326 1.851 . . . . 0.0 113.048 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -57.78 -42.1 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.399 1.08 . . . . 0.0 112.992 -167.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -68.9 -44.31 73.45 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 79.4 p -72.2 -31.22 65.68 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.108 0.867 . . . . 0.0 112.203 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -58.34 -49.27 77.81 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.787 0.835 . . . . 0.0 112.114 166.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.73 -44.34 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.47 -0.769 . . . . 0.0 111.401 175.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -53.73 -49.93 67.06 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.259 0.936 . . . . 0.0 111.839 172.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttp85 -62.25 -42.22 99.13 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.009 1.324 . . . . 0.0 112.575 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -57.1 -49.37 76.09 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.868 0.867 . . . . 0.0 112.329 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.13 -48.83 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.076 0.951 . . . . 0.0 110.76 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.44 -53.92 44.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.881 1.273 . . . . 0.0 111.606 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.53 -30.09 71.26 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.41 1.484 . . . . 0.0 113.724 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 86.2 m -73.11 -41.83 63.59 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.203 0.601 . . . . 0.0 111.756 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 44.3 mt -85.31 -37.17 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.11 0.564 . . . . 0.0 112.054 -172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 47.3 pt -141.84 173.3 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.629 1.572 . . . . 0.0 111.884 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -125.08 25.76 7.16 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.232 1.413 . . . . 0.0 112.584 -173.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -72.89 68.03 0.87 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.866 2.066 . . . . 0.0 112.46 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -70.89 53.27 0.16 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.411 2.284 . . . . 0.0 112.31 173.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.17 54.59 0.11 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.88 1.705 . . . . 0.0 111.934 -168.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -139.51 175.44 9.57 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.378 1.471 . . . . 0.0 112.066 -175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -61.2 150.61 33.93 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.223 1.409 . . . . 0.0 113.485 -174.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -143.61 167.76 21.48 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.283 1.833 . . . . 0.0 111.113 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -140.26 158.11 44.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.46 1.504 . . . . 0.0 111.713 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 30.3 m -135.64 15.61 3.38 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.628 1.171 . . . . 0.0 113.672 -170.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.2 t -63.33 148.51 48.14 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.162 0.985 . . . . 0.0 112.602 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 40.5 pt -142.61 162.82 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.331 1.852 . . . . 0.0 111.839 -177.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.298 1.439 . . . . 0.0 113.632 174.512 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.4 tttt . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -74.01 -23.16 59.39 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -170.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -69.38 113.9 7.13 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.689 1.596 . . . . 0.0 111.23 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -120.33 110.09 16.13 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.544 1.937 . . . . 0.0 109.519 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 p -74.98 156.89 35.79 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.9 t -138.04 132.42 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.383 1.473 . . . . 0.0 108.733 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 t -154.88 126.26 7.34 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.471 1.108 . . . . 0.0 110.652 -172.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -158.77 162.01 37.04 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.935 0.894 . . . . 0.0 112.798 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.67 140.96 29.05 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 112.379 170.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.0 mt -117.75 -178.51 3.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.939 2.096 . . . . 0.0 109.385 161.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -121.63 174.58 6.72 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.138 1.775 . . . . 0.0 111.677 172.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -56.01 -49.59 73.26 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.82 1.648 . . . . 0.0 113.184 -162.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -62.25 -55.72 25.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.822 0.737 . . . . 0.0 112.536 -175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 pm0 -63.39 -39.2 93.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.495 -0.753 . . . . 0.0 112.317 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.59 -42.22 91.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.684 0.674 . . . . 0.0 111.529 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.08 -39.27 92.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.067 0.849 . . . . 0.0 112.852 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -47.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 119.183 0.901 . . . . 0.0 110.876 173.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.51 -47.31 86.03 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.057 0.844 . . . . 0.0 111.955 175.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 ttt-85 -54.34 -48.17 71.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.224 1.81 . . . . 0.0 112.358 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -67.59 -49.49 62.89 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.223 1.409 . . . . 0.0 112.107 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mp -65.77 -30.55 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.14 0.576 . . . . 0.0 112.236 177.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.38 16.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.667 0.667 . . . . 0.0 111.284 167.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.83 -30.04 60.77 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.233 1.413 . . . . 0.0 114.37 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.51 -17.85 24.57 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 170.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -142.13 -50.39 0.39 Allowed 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.168 1.349 . . . . 0.0 114.545 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.9 t -148.86 95.19 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.496 2.318 . . . . 0.0 108.149 -175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -62.02 -8.06 4.77 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 -171.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.4 t -65.54 84.63 0.07 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.176 1.39 . . . . 0.0 111.733 170.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 t -56.18 -39.66 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.523 1.129 . . . . 0.0 112.73 -171.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -63.91 -40.94 97.66 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.039 -1.038 . . . . 0.0 113.271 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.6 t -66.87 -44.29 81.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.197 0.999 . . . . 0.0 111.368 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -57.45 -46.94 83.06 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.444 1.098 . . . . 0.0 112.366 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.64 -42.24 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.186 0.994 . . . . 0.0 111.418 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.34 -48.15 79.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.33 0.968 . . . . 0.0 111.952 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -64.5 -39.56 94.01 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -56.13 -48.63 75.87 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.559 1.144 . . . . 0.0 111.786 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.91 -45.29 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 124.401 1.081 . . . . 0.0 111.338 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.5 mt -53.47 -53.25 54.09 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.248 0.619 . . . . 0.0 111.595 172.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -61.14 -49.09 78.64 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.26 1.024 . . . . 0.0 112.646 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.7 p -69.95 -30.26 67.59 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.5 mt -71.49 -43.7 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.312 0.96 . . . . 0.0 111.13 169.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.0 tt -149.13 118.05 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-O 122.548 1.166 . . . . 0.0 112.952 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -87.91 1.4 54.13 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.119 1.368 . . . . 0.0 114.068 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -71.58 70.03 0.65 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.896 2.078 . . . . 0.0 111.479 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.5 161.07 2.83 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.162 1.785 . . . . 0.0 114.056 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.82 -26.76 0.29 Allowed Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.698 1.142 . . . . 0.0 114.223 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -138.54 151.37 47.26 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.898 1.679 . . . . 0.0 110.014 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -144.81 156.77 44.21 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.568 1.547 . . . . 0.0 111.442 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -145.19 139.72 27.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.888 1.275 . . . . 0.0 111.035 172.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -129.22 173.73 10.23 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.48 1.912 . . . . 0.0 111.091 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.1 t -156.91 107.01 2.28 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.551 1.54 . . . . 0.0 108.658 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.4 p -54.31 152.0 6.83 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.408 1.483 . . . . 0.0 113.963 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.3 mm -66.34 137.5 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.396 1.079 . . . . 0.0 111.127 -173.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.201 1.4 . . . . 0.0 113.399 178.624 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 119.027 -0.511 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.76 161.54 30.7 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 119.384 0.993 . . . . 0.0 111.685 173.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -141.51 152.76 44.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.542 1.937 . . . . 0.0 109.66 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -132.32 76.7 1.71 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.547 1.139 . . . . 0.0 111.871 -165.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -66.1 150.18 49.13 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.253 -0.904 . . . . 0.0 113.436 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.29 133.61 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 127.607 2.363 . . . . 0.0 108.81 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 65.0 p -142.72 140.84 31.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.673 1.189 . . . . 0.0 112.634 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -168.68 -167.33 0.76 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.433 1.893 . . . . 0.0 111.221 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -128.26 153.45 46.95 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.478 1.511 . . . . 0.0 112.452 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 99.6 mt -130.32 179.7 5.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.9 2.08 . . . . 0.0 109.74 168.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.3 m -89.26 149.97 22.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.868 0.867 . . . . 0.0 111.562 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -44.82 -54.24 6.59 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.016 1.726 . . . . 0.0 114.869 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -71.75 -36.39 70.41 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -61.27 -47.23 86.95 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.694 0.798 . . . . 0.0 111.439 170.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -61.99 -37.9 86.58 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.233 0.613 . . . . 0.0 112.183 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.39 -40.04 95.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.991 0.916 . . . . 0.0 113.433 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.43 -45.92 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.097 -1.002 . . . . 0.0 110.674 169.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.9 -31.59 72.62 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.122 0.873 . . . . 0.0 113.348 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -58.89 -50.68 73.11 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.075 1.307 . . . . 0.0 111.037 168.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.04 -48.57 81.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.943 0.792 . . . . 0.0 112.601 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.51 -36.58 84.24 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.484 0.714 . . . . 0.0 112.504 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.69 73.35 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.752 0.706 . . . . 0.0 111.973 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -57.06 -29.77 63.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.647 1.112 . . . . 0.0 113.021 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.49 -29.37 70.49 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 173.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -153.19 2.12 0.28 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 -168.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -144.7 -37.2 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 125.861 1.665 . . . . 0.0 113.093 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 69.8 4.37 4.72 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.098 2.159 . . . . 0.0 115.25 -174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.3 m -144.12 115.24 7.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.368 1.467 . . . . 0.0 111.462 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.39 -37.96 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 123.589 0.756 . . . . 0.0 112.861 -172.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -56.2 -51.25 68.73 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.054 0.843 . . . . 0.0 112.4 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.8 t -70.99 -30.61 66.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.861 0.865 . . . . 0.0 112.222 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.54 -45.47 86.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 120.99 -1.069 . . . . 0.0 112.827 171.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.75 -38.37 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.262 -0.899 . . . . 0.0 110.856 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.89 -52.88 55.9 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.078 0.854 . . . . 0.0 111.828 166.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.2 -48.2 76.86 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.219 1.008 . . . . 0.0 112.067 176.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -54.45 -42.99 71.24 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.286 1.434 . . . . 0.0 112.943 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.46 -51.3 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.038 0.935 . . . . 0.0 110.821 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.12 -36.01 76.52 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -68.18 -8.01 35.01 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.908 1.448 . . . . 0.0 114.908 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 96.1 m -124.27 -39.28 2.35 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.545 1.138 . . . . 0.0 112.503 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 38.4 mm -78.17 -23.03 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.865 1.266 . . . . 0.0 112.742 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 34.6 mm -129.98 145.16 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.928 1.691 . . . . 0.0 109.029 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -147.7 82.15 1.51 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.484 1.113 . . . . 0.0 110.381 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -130.33 33.63 4.29 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.579 1.552 . . . . 0.0 112.278 -167.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -57.87 159.71 5.24 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.85 1.66 . . . . 0.0 113.741 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.48 -19.29 1.68 Allowed Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.566 1.079 . . . . 0.0 115.31 172.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 22.2 p -65.91 153.35 42.28 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.916 1.286 . . . . 0.0 113.504 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -76.52 167.34 22.02 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.333 1.053 . . . . 0.0 112.336 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -145.93 144.41 30.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.343 1.457 . . . . 0.0 110.707 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -151.8 155.43 38.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.67 1.588 . . . . 0.0 110.492 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -63.37 0.64 0.64 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 -173.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.3 m -125.68 7.28 7.51 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.373 1.869 . . . . 0.0 113.388 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 51.0 mm -73.57 118.07 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.322 -0.861 . . . . 0.0 109.1 168.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.7 m120 . . . . . 0 C--O 1.255 1.381 0 C-N-CA 126.069 1.747 . . . . 0.0 111.646 -177.218 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 119.77 -0.157 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -128.13 159.41 35.21 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.727 1.611 . . . . 0.0 111.36 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -140.09 134.98 32.08 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.793 1.637 . . . . 0.0 109.937 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -130.64 113.25 13.96 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.287 1.435 . . . . 0.0 110.198 -172.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.9 p -88.5 159.92 17.73 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -168.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.9 t -138.08 124.4 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.339 1.455 . . . . 0.0 108.561 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.3 p -142.98 129.87 20.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.803 1.241 . . . . 0.0 111.755 -174.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -159.23 -175.41 5.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.805 1.242 . . . . 0.0 111.898 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -125.3 155.69 39.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.245 1.418 . . . . 0.0 112.443 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.5 mt -133.85 169.43 17.08 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.656 2.382 . . . . 0.0 109.926 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -78.31 159.73 28.26 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.485 0.714 . . . . 0.0 111.414 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -59.42 -51.41 70.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.636 1.174 . . . . 0.0 113.038 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.38 -39.67 81.68 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.893 0.477 . . . . 0.0 111.813 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -58.21 -50.8 72.28 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.217 1.407 . . . . 0.0 112.026 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.94 -41.87 99.63 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.377 0.671 . . . . 0.0 111.673 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.7 -38.07 89.74 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.4 -47.35 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 110.973 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.38 -37.31 85.23 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.21 0.914 . . . . 0.0 112.538 173.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.61 -48.38 81.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.874 1.27 . . . . 0.0 111.653 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -60.54 -47.01 88.05 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.403 1.002 . . . . 0.0 111.714 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.0 -34.76 76.78 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.758 0.823 . . . . 0.0 112.659 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.98 -43.09 55.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 112.968 171.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -55.8 -36.82 67.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.51 1.524 . . . . 0.0 112.139 177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.46 -21.6 64.3 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -154.36 -12.89 0.13 Allowed 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 118.237 2.681 . . . . 0.0 118.237 -169.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -133.97 -21.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.417 1.487 . . . . 0.0 113.36 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 70.77 3.35 4.54 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.846 1.658 . . . . 0.0 114.842 173.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.8 t -151.69 125.2 8.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.3 1.44 . . . . 0.0 111.426 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.76 -45.47 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.884 0.873 . . . . 0.0 111.662 -175.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -69.04 -35.14 76.26 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.399 -0.813 . . . . 0.0 112.327 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -65.08 -45.34 85.68 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.687 0.676 . . . . 0.0 111.375 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.57 -45.1 85.59 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.312 1.045 . . . . 0.0 112.514 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.94 -49.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.566 0.746 . . . . 0.0 111.814 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -55.46 -48.19 74.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.233 0.924 . . . . 0.0 111.978 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -58.93 -44.79 91.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.965 1.306 . . . . 0.0 112.203 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -56.91 -46.76 81.76 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.02 0.928 . . . . 0.0 112.704 174.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.085 0.554 . . . . 0.0 110.402 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.69 -54.13 50.35 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.549 0.613 . . . . 0.0 111.61 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.05 -42.44 49.74 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.315 1.446 . . . . 0.0 113.14 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 m -87.02 -33.41 19.57 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mm -88.39 -57.79 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.878 0.871 . . . . 0.0 111.318 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.4 tp -165.3 124.63 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.285 1.434 . . . . 0.0 111.733 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -148.56 105.6 3.61 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.324 1.05 . . . . 0.0 110.875 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -149.68 122.93 8.95 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 127.342 2.257 . . . . 0.0 108.309 -176.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -128.79 146.88 50.79 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.491 1.917 . . . . 0.0 111.869 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.54 22.18 0.03 OUTLIER Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.738 1.161 . . . . 0.0 114.825 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.5 m -66.93 148.91 51.34 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.78 1.632 . . . . 0.0 112.236 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -125.28 7.68 7.81 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.794 1.238 . . . . 0.0 114.018 -174.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.09 144.83 56.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.677 1.191 . . . . 0.0 111.986 178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.49 -6.06 28.12 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.4 t -152.19 100.02 2.58 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.611 1.964 . . . . 0.0 108.584 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -145.2 -176.12 4.97 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.603 1.561 . . . . 0.0 112.221 -174.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.1 tt -140.95 159.66 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 126.582 1.953 . . . . 0.0 111.166 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.7 t30 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 125.925 1.69 . . . . 0.0 111.837 -173.635 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 110.886 -0.042 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -140.01 158.92 43.3 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 126.359 1.864 . . . . 0.0 111.028 175.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -150.19 125.72 10.25 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.696 1.598 . . . . 0.0 110.882 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.35 109.2 10.57 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.124 1.77 . . . . 0.0 109.517 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 52.3 p -81.05 158.98 24.91 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -167.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.2 t -135.44 131.95 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.794 1.638 . . . . 0.0 108.077 174.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 t -151.72 128.04 10.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.212 1.005 . . . . 0.0 111.797 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -159.11 179.62 8.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.034 1.334 . . . . 0.0 112.597 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -127.93 147.11 50.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.606 1.562 . . . . 0.0 112.225 -177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.65 172.95 11.86 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.226 2.21 . . . . 0.0 110.731 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -81.05 157.85 25.29 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.605 1.162 . . . . 0.0 111.13 174.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -57.12 -48.39 78.77 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.618 0.767 . . . . 0.0 112.943 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.11 -36.5 82.05 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -62.84 -50.89 69.17 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.419 0.688 . . . . 0.0 110.745 174.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -63.33 -37.43 87.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.18 -41.87 99.27 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.24 0.927 . . . . 0.0 113.008 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 43.1 t -60.03 -49.38 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.675 -0.641 . . . . 0.0 111.001 171.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.33 -44.17 88.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.634 0.652 . . . . 0.0 111.868 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.99 -43.66 95.03 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.976 1.311 . . . . 0.0 112.279 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.26 -51.59 62.84 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.293 0.951 . . . . 0.0 111.903 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.72 -36.89 79.98 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.476 0.71 . . . . 0.0 111.665 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -60.9 2.48 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.685 1.194 . . . . 0.0 111.673 170.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.48 -20.98 34.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.603 1.561 . . . . 0.0 114.664 -175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -48.59 -28.04 3.18 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 164.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.58 -21.59 0.17 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 -176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -147.71 94.98 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 127.876 2.471 . . . . 0.0 108.394 -173.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.4 -35.32 38.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.708 1.203 . . . . 0.0 114.048 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -70.43 88.37 0.66 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.695 1.598 . . . . 0.0 112.639 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 t -51.01 -41.04 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.503 1.521 . . . . 0.0 113.069 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -67.67 -37.13 81.93 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -68.95 -39.69 79.39 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.93 0.892 . . . . 0.0 111.478 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -57.24 -44.39 83.78 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.58 -0.7 . . . . 0.0 112.114 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -45.25 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 121.288 -0.882 . . . . 0.0 111.994 174.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -53.76 -46.82 71.07 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.319 0.963 . . . . 0.0 111.823 173.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -62.49 -45.32 93.55 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.052 1.341 . . . . 0.0 112.563 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -57.26 -35.44 69.74 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.473 1.509 . . . . 0.0 113.367 175.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 59.8 mt -75.43 -47.5 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.806 0.842 . . . . 0.0 110.622 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.54 -30.4 68.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.809 0.843 . . . . 0.0 112.975 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -64.92 78.04 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.444 1.897 . . . . 0.0 112.992 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.6 28.21 5.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.408 1.483 . . . . 0.0 114.785 159.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.425 HG23 HG23 ' B' ' 62' ' ' ILE . 9.4 tt -67.28 -17.7 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.578 -1.326 . . . . 0.0 112.424 162.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.425 HG23 HG23 ' B' ' 61' ' ' ILE . 32.0 pt -120.04 163.42 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 127.378 2.271 . . . . 0.0 110.312 175.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -142.7 125.8 16.35 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.856 1.663 . . . . 0.0 110.626 -176.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -155.43 108.68 2.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.255 1.822 . . . . 0.0 109.959 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -59.56 151.53 24.24 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.429 1.092 . . . . 0.0 112.878 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.51 -166.91 32.91 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.789 1.185 . . . . 0.0 113.34 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -146.72 159.85 42.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.901 1.281 . . . . 0.0 111.607 171.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -157.26 167.94 28.85 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.885 1.674 . . . . 0.0 111.396 -175.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -138.47 147.46 43.24 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.059 1.744 . . . . 0.0 110.433 173.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -153.81 160.4 42.21 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.931 1.292 . . . . 0.0 111.981 -176.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 87.8 p -145.77 2.28 0.92 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.884 1.674 . . . . 0.0 114.609 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 74.7 m -69.01 160.34 31.13 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.499 1.12 . . . . 0.0 112.79 175.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.5 tt -138.48 13.2 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 124.819 1.248 . . . . 0.0 113.259 -174.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.629 1.572 . . . . 0.0 113.548 175.422 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 118.853 -0.594 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 42.67 41.69 2.54 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 127.702 2.401 . . . . 0.0 115.459 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -137.01 115.65 12.04 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.541 1.536 . . . . 0.0 109.715 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -126.87 110.55 13.17 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.578 1.951 . . . . 0.0 109.312 -173.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.7 p -80.62 157.21 26.05 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -166.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.22 131.38 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.746 1.618 . . . . 0.0 108.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -143.59 136.52 27.58 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.724 1.21 . . . . 0.0 111.442 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -165.28 -170.67 1.95 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.099 1.36 . . . . 0.0 112.199 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -126.98 151.32 48.7 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.009 1.724 . . . . 0.0 112.599 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -130.45 170.83 13.69 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.116 2.166 . . . . 0.0 110.672 173.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.3 m -82.15 162.13 22.57 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.193 0.997 . . . . 0.0 112.557 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -56.28 -58.76 6.6 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.79 1.236 . . . . 0.0 113.344 -172.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -71.21 -35.97 71.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.406 0.682 . . . . 0.0 111.887 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.48 -53.7 54.44 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.69 1.196 . . . . 0.0 111.779 173.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.42 -43.22 95.06 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.83 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -61.57 -40.23 93.99 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.22 -47.7 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 121.409 -0.807 . . . . 0.0 110.948 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.9 mt -61.02 -39.13 88.6 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.331 0.969 . . . . 0.0 112.257 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -42.13 96.09 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.522 1.529 . . . . 0.0 112.751 172.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.5 -49.64 68.24 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.448 1.022 . . . . 0.0 111.79 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.6 -33.35 74.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.11 0.964 . . . . 0.0 112.332 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -60.72 2.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.612 0.765 . . . . 0.0 111.208 168.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -54.23 -27.53 35.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.369 1.468 . . . . 0.0 114.783 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -54.55 -26.56 32.87 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 170.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -141.54 -35.65 0.45 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.94 91.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 128.301 2.641 . . . . 0.0 109.557 -173.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.66 50.44 0.05 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 127.453 2.301 . . . . 0.0 116.483 -177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -145.85 95.51 2.65 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.928 2.491 . . . . 0.0 109.814 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.2 t -59.82 -40.99 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.729 0.812 . . . . 0.0 111.695 -173.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -64.31 -40.17 95.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.576 -0.703 . . . . 0.0 112.707 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -64.61 -45.9 84.95 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.741 0.701 . . . . 0.0 111.351 173.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -59.43 -45.35 91.8 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.042 0.937 . . . . 0.0 113.056 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.2 t -65.43 -47.79 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 O-C-N 121.426 -0.796 . . . . 0.0 111.37 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -53.15 -46.31 68.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.708 0.803 . . . . 0.0 111.775 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -62.23 -45.39 93.56 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.197 1.799 . . . . 0.0 112.469 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.01 -49.44 71.52 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.692 1.197 . . . . 0.0 112.221 173.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' B' ' 57' ' ' ILE . 57.5 mt -62.92 -50.96 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.727 0.811 . . . . 0.0 110.48 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.5 tp -57.35 -53.85 53.49 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.793 1.237 . . . . 0.0 111.893 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.27 -29.1 70.49 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 87.8 m -71.93 -42.81 66.22 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 118.272 0.487 . . . . 0.0 111.606 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.9 mt -71.12 -40.38 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.71 0.804 . . . . 0.0 112.146 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -153.58 147.73 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.871 1.269 . . . . 0.0 111.455 -174.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.79 24.45 5.71 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.186 0.994 . . . . 0.0 113.085 -172.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -76.37 73.1 3.14 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.817 2.047 . . . . 0.0 111.299 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.76 159.74 2.13 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.09 1.756 . . . . 0.0 113.004 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.22 -131.63 1.31 Allowed Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.939 1.257 . . . . 0.0 112.458 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 p -61.52 -27.87 68.9 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.402 1.081 . . . . 0.0 113.713 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 51.59 34.54 12.72 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 127.002 2.121 . . . . 0.0 113.495 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -87.85 -5.55 58.54 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -166.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 53.98 30.03 11.06 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.946 1.698 . . . . 0.0 114.48 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.6 m -72.4 42.98 0.1 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.896 2.079 . . . . 0.0 114.136 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.9 m -138.55 168.0 20.71 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.998 1.719 . . . . 0.0 112.68 -168.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.61 142.53 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.895 1.278 . . . . 0.0 112.757 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t30 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.22 1.808 . . . . 0.0 111.52 -173.744 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 111.145 0.054 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -135.34 163.57 29.71 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.682 1.993 . . . . 0.0 110.982 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -139.75 150.69 45.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.006 1.723 . . . . 0.0 110.198 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -119.34 106.23 12.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.803 1.641 . . . . 0.0 109.938 -173.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 24.5 p -78.67 158.65 28.32 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.98 132.32 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.294 1.437 . . . . 0.0 109.427 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 60.0 p -143.9 135.2 25.77 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.792 1.237 . . . . 0.0 111.307 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -162.84 -175.12 4.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.778 1.231 . . . . 0.0 112.462 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -119.53 152.3 37.2 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.853 1.661 . . . . 0.0 112.275 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -129.26 171.63 12.28 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 127.248 2.219 . . . . 0.0 110.054 171.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -77.42 161.44 27.98 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.137 0.575 . . . . 0.0 111.744 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -60.96 -54.13 48.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.459 1.103 . . . . 0.0 112.762 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.35 -33.82 73.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.859 0.463 . . . . 0.0 112.031 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.62 -53.61 55.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.244 1.417 . . . . 0.0 111.855 171.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -60.64 -40.9 93.68 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.639 -0.663 . . . . 0.0 111.738 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -62.64 -45.8 91.14 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.74 -37.52 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.291 0.95 . . . . 0.0 112.165 176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.05 -38.9 92.75 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.372 0.987 . . . . 0.0 111.682 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 27.0 ttp-105 -63.21 -40.47 97.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.853 0.861 . . . . 0.0 111.961 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -62.73 -46.52 87.7 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.838 1.199 . . . . 0.0 112.197 174.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.81 -33.16 73.63 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.969 0.908 . . . . 0.0 112.389 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.56 -53.8 20.63 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.579 0.752 . . . . 0.0 111.729 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -55.54 -22.68 22.65 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.025 2.13 . . . . 0.0 114.921 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -49.19 -23.09 1.17 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 165.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.52 -39.16 0.22 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -157.19 101.65 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.783 2.433 . . . . 0.0 109.423 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.03 78.68 0.49 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 123.099 1.428 . . . . 0.0 113.423 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -147.95 82.74 1.51 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.403 1.881 . . . . 0.0 111.659 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 m -51.3 -36.93 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -58.83 -53.02 63.1 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.694 0.798 . . . . 0.0 112.208 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -45.7 83.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.182 0.993 . . . . 0.0 111.703 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.62 -48.9 79.87 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.023 0.929 . . . . 0.0 112.638 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.61 -41.55 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.669 -0.644 . . . . 0.0 111.433 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -56.77 -45.16 82.27 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.665 1.12 . . . . 0.0 112.087 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -64.04 -43.11 96.55 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.793 1.237 . . . . 0.0 112.646 174.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -54.36 -49.61 69.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 111.955 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.543 HD11 HD11 ' A' ' 57' ' ' ILE . 61.9 mt -63.28 -49.95 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 123.994 0.917 . . . . 0.0 110.661 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -53.92 -56.23 19.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.353 0.661 . . . . 0.0 111.118 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.99 -39.51 92.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.133 . . . . 0.0 113.464 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 36.5 p -72.25 -28.02 62.88 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt -75.33 -47.09 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.868 0.867 . . . . 0.0 111.194 170.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -156.24 143.48 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.89 1.276 . . . . 0.0 112.124 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -136.48 78.61 1.72 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.093 0.957 . . . . 0.0 110.762 176.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -138.74 94.52 2.84 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.448 1.899 . . . . 0.0 108.98 -174.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -58.04 159.2 5.93 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.475 1.51 . . . . 0.0 114.203 -176.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.9 0.94 45.54 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.992 1.282 . . . . 0.0 114.789 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 17.6 p -65.76 -24.79 67.03 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.542 1.537 . . . . 0.0 114.51 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -144.08 147.76 34.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.621 1.568 . . . . 0.0 111.544 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -155.37 145.99 22.16 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.663 1.585 . . . . 0.0 110.718 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.0 t70 50.71 34.11 9.41 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.046 1.738 . . . . 0.0 114.852 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 21.0 t -152.89 93.43 1.75 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.643 1.577 . . . . 0.0 109.834 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.3 m -140.62 168.25 20.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.652 1.581 . . . . 0.0 112.23 -170.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.3 tt -130.62 12.11 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.996 1.318 . . . . 0.0 113.457 -173.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 13.3 t30 . . . . . 0 C--O 1.255 1.379 0 C-N-CA 125.681 1.592 . . . . 0.0 113.075 175.501 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? . . . . . 0 N--CA 1.497 1.876 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.6 mtt85 -74.18 154.98 38.83 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.372 1.069 . . . . 0.0 112.36 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -144.91 142.85 30.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.088 1.755 . . . . 0.0 109.965 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -127.49 105.63 8.63 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.277 1.431 . . . . 0.0 110.238 -173.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.2 p -77.73 156.73 30.43 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -167.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -140.45 134.21 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.503 1.521 . . . . 0.0 108.857 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.98 119.51 5.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.052 0.941 . . . . 0.0 110.642 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -156.3 156.53 34.15 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 25' ' ' SER . 7.6 m-85 -82.51 147.04 28.9 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.412 1.085 . . . . 0.0 112.963 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -129.35 170.34 13.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.963 2.105 . . . . 0.0 110.693 170.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -81.3 163.16 23.13 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.955 0.902 . . . . 0.0 112.267 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -59.8 -58.85 6.79 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.789 0.836 . . . . 0.0 112.92 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.56 -34.61 77.4 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.371 0.668 . . . . 0.0 112.083 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.74 -52.56 64.94 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.005 0.922 . . . . 0.0 111.89 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -63.71 -38.7 92.1 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.409 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -58.21 -46.31 86.08 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.669 1.122 . . . . 0.0 112.522 174.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.05 -48.67 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.926 0.89 . . . . 0.0 110.985 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.44 -37.33 77.84 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.908 0.777 . . . . 0.0 112.19 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm105 -64.58 -44.99 88.94 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.664 1.186 . . . . 0.0 112.119 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.32 79.82 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.147 0.885 . . . . 0.0 112.153 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -33.46 74.71 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.73 -49.43 62.63 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.709 0.686 . . . . 0.0 111.936 169.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -57.39 -29.06 63.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.404 1.082 . . . . 0.0 113.336 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -27.1 68.53 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.39 -11.3 0.1 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 118.222 2.675 . . . . 0.0 118.222 -167.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -134.48 -25.56 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 125.72 1.608 . . . . 0.0 113.177 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 69.21 6.32 5.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.532 1.933 . . . . 0.0 115.636 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 t -150.37 136.15 18.33 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.974 -1.079 . . . . 0.0 112.458 168.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.74 -41.08 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.574 0.75 . . . . 0.0 112.444 -167.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -73.4 -37.13 66.06 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.214 0.915 . . . . 0.0 113.119 -175.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.8 p -71.32 -36.55 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.071 0.85 . . . . 0.0 111.899 171.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.8 -49.0 78.1 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.822 0.737 . . . . 0.0 112.103 168.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.21 -40.31 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.82 0.848 . . . . 0.0 111.741 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.13 -52.59 62.8 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.74 1.155 . . . . 0.0 111.865 171.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -63.31 -39.92 95.9 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.13 0.972 . . . . 0.0 112.664 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.93 -50.64 71.97 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.916 1.287 . . . . 0.0 111.929 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.435 HG12 HD11 ' B' ' 57' ' ' ILE . 74.5 mt -65.27 -44.41 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 111.231 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 tp -53.89 -57.9 9.24 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.654 0.781 . . . . 0.0 110.402 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.42 -34.46 73.99 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.416 1.086 . . . . 0.0 113.586 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 m -69.37 -26.0 64.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.12 0.968 . . . . 0.0 113.494 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.21 -21.05 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 119.53 1.059 . . . . 0.0 113.372 -176.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.9 mt -138.45 149.51 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 126.231 1.812 . . . . 0.0 109.278 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -148.38 143.84 27.09 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.105 -0.997 . . . . 0.0 111.161 170.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -159.99 127.43 4.59 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.56 2.344 . . . . 0.0 108.815 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -124.54 12.13 8.64 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.92 -42.03 6.13 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.994 1.283 . . . . 0.0 112.812 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.2 p -142.61 138.74 30.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.462 1.905 . . . . 0.0 110.086 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -147.83 157.13 43.38 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.374 1.47 . . . . 0.0 110.864 -176.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -154.88 170.0 22.71 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.618 1.167 . . . . 0.0 113.027 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -149.53 155.43 40.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.885 1.674 . . . . 0.0 111.141 173.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.7 t -156.71 101.66 1.99 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.856 1.262 . . . . 0.0 110.226 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t -147.88 166.15 28.51 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.428 1.491 . . . . 0.0 111.992 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.21 133.51 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 125.252 1.421 . . . . 0.0 110.426 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.361 1.465 . . . . 0.0 113.557 178.435 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt . . . . . 0 N--CA 1.497 1.907 0 CA-C-O 119.967 -0.064 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -147.34 147.54 30.43 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.567 1.547 . . . . 0.0 111.53 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -137.85 163.06 32.38 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.04 2.136 . . . . 0.0 109.281 172.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -125.22 99.92 6.3 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.254 1.422 . . . . 0.0 110.612 -171.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 15.9 t -79.45 152.38 30.32 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -132.97 130.7 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.674 1.99 . . . . 0.0 108.415 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 81.2 p -139.05 128.0 23.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.619 1.168 . . . . 0.0 111.856 -171.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -161.81 -172.57 3.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.834 1.254 . . . . 0.0 112.207 -170.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -131.12 150.49 52.12 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.711 1.604 . . . . 0.0 112.069 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.31 177.62 7.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.14 2.176 . . . . 0.0 110.029 171.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.3 m -87.78 158.23 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.576 1.15 . . . . 0.0 111.911 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -53.8 -54.25 40.95 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.43 1.092 . . . . 0.0 113.49 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.54 -38.31 84.01 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.778 0.431 . . . . 0.0 112.064 -175.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.68 -51.33 69.85 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.87 0.868 . . . . 0.0 111.775 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -62.41 -39.28 92.74 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.199 0.599 . . . . 0.0 112.021 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -65.76 -39.97 91.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.93 -45.62 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.203 0.91 . . . . 0.0 110.927 172.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.65 -39.88 89.96 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.692 -0.63 . . . . 0.0 111.577 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -61.68 -36.95 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.251 1.02 . . . . 0.0 112.739 171.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -63.98 -52.1 61.2 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.714 1.143 . . . . 0.0 111.595 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.14 -29.0 70.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.493 0.717 . . . . 0.0 112.416 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.39 -51.65 41.72 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.519 0.728 . . . . 0.0 111.749 166.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.63 -20.18 54.29 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.502 1.921 . . . . 0.0 114.464 -178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -50.17 -19.77 0.85 Allowed 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 161.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -148.77 -39.3 0.16 Allowed 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.64 107.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 127.288 2.235 . . . . 0.0 109.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.42 -9.48 34.38 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 118.134 2.642 . . . . 0.0 118.134 -164.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 11.9 p -58.54 92.0 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.687 1.595 . . . . 0.0 113.575 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -56.88 -45.41 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.713 1.205 . . . . 0.0 113.126 -164.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -64.36 -43.84 93.26 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -65.91 -40.3 91.37 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.956 0.902 . . . . 0.0 112.13 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -58.74 -50.51 73.65 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.075 0.95 . . . . 0.0 112.091 171.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.68 -42.4 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.926 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -54.56 -52.21 62.82 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.839 1.2 . . . . 0.0 111.504 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.07 -47.49 85.66 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.479 1.112 . . . . 0.0 112.452 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -57.5 -45.43 84.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.212 1.405 . . . . 0.0 112.385 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 57' ' ' ILE . 19.3 mm -75.48 -40.61 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.288 1.035 . . . . 0.0 111.417 -176.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.51 -51.83 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.074 0.852 . . . . 0.0 110.729 170.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -55.54 -49.22 73.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.832 0.853 . . . . 0.0 112.489 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 92.8 m -63.17 -39.28 94.19 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.006 0.922 . . . . 0.0 112.836 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 21.6 mm -77.05 -37.66 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.536 1.134 . . . . 0.0 112.014 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 4.7 tp -147.36 101.45 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 123.204 1.478 . . . . 0.0 112.156 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -77.3 56.52 1.35 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.531 1.933 . . . . 0.0 112.501 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -139.86 97.66 3.3 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.359 1.463 . . . . 0.0 111.416 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.5 169.44 4.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.593 1.557 . . . . 0.0 112.276 171.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.81 175.3 45.23 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.715 1.15 . . . . 0.0 113.311 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 7.0 m -54.2 -28.26 39.58 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.338 1.855 . . . . 0.0 114.952 -169.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -120.7 10.79 11.08 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.929 1.292 . . . . 0.0 113.34 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -7.04 59.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.127 0.971 . . . . 0.0 113.279 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.63 153.0 43.06 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.182 1.793 . . . . 0.0 111.339 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 80.3 p -147.4 10.65 0.98 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.763 1.225 . . . . 0.0 114.277 -176.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 25.5 m -59.06 145.49 41.89 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.435 1.494 . . . . 0.0 113.596 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tp -142.07 10.96 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.787 1.235 . . . . 0.0 113.4 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.378 1.471 . . . . 0.0 112.887 177.863 . . . . . . . . 0 0 . 1 stop_ save_