data_2n8i_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 2n8i _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.419 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.1 Cg_exo . . . . . 0 N--CA 1.49 1.304 0 N-CA-C 113.707 0.618 . . . . 74.32 113.707 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.513 ' HA ' HD13 ' A' ' 8' ' ' ILE . 7.8 t70 -73.07 -29.31 62.87 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.221 0.534 . . . . 75.01 111.018 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.34 -31.6 62.5 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.916 0.886 . . . . 54.4 110.218 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.32 -35.93 80.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.715 0.806 . . . . 65.31 109.589 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.528 HD12 ' HE2' ' A' ' 38' ' ' LYS . 88.1 mt -56.91 -40.21 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.228 1.011 . . . . 71.51 111.289 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -36.22 69.96 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.76 0.663 . . . . 73.31 111.14 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -75.51 -40.57 56.91 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.899 0.48 . . . . 75.4 110.936 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -67.8 -25.73 65.73 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.457 0.703 . . . . 74.23 112.331 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.22 -37.03 66.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.781 0.832 . . . . 72.35 110.175 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -45.04 85.98 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.134 0.574 . . . . 74.33 109.49 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.5 69.93 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.99 -1.005 . . . . 72.03 111.13 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -67.87 -43.28 79.77 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.202 0.601 . . . . 74.11 110.259 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.97 -30.28 71.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.323 0.649 . . . . 74.42 111.415 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -73.1 -40.22 65.16 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.188 0.595 . . . . 74.41 110.145 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.624 0.77 . . . . 72.21 110.822 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -75.98 -39.4 55.97 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.374 1.47 . . . . 72.35 111.513 -170.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.57 -32.77 73.75 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.054 0.454 . . . . 74.25 110.13 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.42 -11.33 58.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.585 0.754 . . . . 74.34 111.343 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 m120 64.94 22.44 12.47 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.04 1.336 . . . . 73.4 112.543 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -93.08 90.52 6.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.431 -0.951 . . . . 74.02 108.431 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' HB2' ' A' ' 27' ' ' MET . . . -63.91 -18.94 62.76 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 115.408 0.923 . . . . 74.22 115.408 -171.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.27 -46.06 90.48 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 109.393 -0.595 . . . . 74.24 109.393 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.56 -41.05 69.55 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.511 1.124 . . . . 75.22 110.762 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.433 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 81.2 mtp -62.8 -40.29 96.91 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.107 0.963 . . . . 73.11 110.872 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.34 -50.79 48.09 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 114.743 -1.117 . . . . 63.34 111.597 175.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -60.65 -31.8 71.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.253 0.621 . . . . 74.15 111.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.47 -52.04 55.82 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.467 0.707 . . . . 75.23 110.789 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 92.5 mt -69.05 -30.67 69.06 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.772 0.67 . . . . 75.45 110.887 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -64.82 -44.96 88.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.814 0.846 . . . . 64.4 110.325 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 94.8 m-20 -62.5 -44.4 96.46 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.866 0.729 . . . . 55.13 110.174 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.87 -43.79 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.053 0.845 . . . . 75.41 110.649 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.58 96.32 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.429 -0.805 . . . . 62.4 112.595 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.68 -40.42 96.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.337 0.655 . . . . 74.1 110.209 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 15.1 mm-40 -64.13 -43.12 96.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.141 0.901 . . . . 72.54 110.352 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HE2' HD12 ' A' ' 8' ' ' ILE . 74.6 mmtt -59.84 -48.58 81.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.147 0.579 . . . . 74.33 110.484 176.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.6 -41.91 95.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.39 1.076 . . . . 73.11 111.621 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -74.23 -23.1 59.12 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.564 0.346 . . . . 65.34 111.555 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.503 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 70.8 mtm -85.01 -8.56 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.219 0.607 . . . . 75.3 111.818 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.5 -0.53 65.68 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-O 120.145 -0.253 . . . . 74.4 112.908 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -81.53 69.83 8.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.773 0.829 . . . . 75.54 109.167 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 48' ' ' ILE . 98.0 t -67.86 -45.0 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 125.153 1.381 . . . . 62.14 111.626 -173.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -70.1 -33.79 72.3 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.883 0.873 . . . . 75.32 110.515 -176.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.61 -35.79 70.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.544 -0.753 . . . . 74.31 110.293 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.68 97.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.665 0.786 . . . . 75.51 110.655 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 81' ' ' VAL . 98.7 mt -53.2 -50.08 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 124.61 1.194 . . . . 74.21 111.109 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -54.13 -51.39 64.4 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 124.282 0.989 . . . . 73.32 110.83 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 55.6 m-85 -71.23 -31.4 67.52 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.124 0.787 . . . . 74.42 113.124 -175.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.66 -30.96 61.78 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 117.765 0.257 . . . . 75.13 110.563 175.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.11 -43.44 64.74 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.174 0.59 . . . . 64.24 109.672 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 57' ' ' VAL . 71.8 mtt180 -70.94 -41.06 71.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.098 -0.955 . . . . 74.41 110.088 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.53 73.73 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.844 0.715 . . . . 75.1 110.793 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -60.37 -43.2 96.8 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.716 1.26 . . . . 75.35 110.486 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -56.75 -41.96 78.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.741 1.216 . . . . 74.34 111.147 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.1 t -71.36 -38.23 68.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.859 -0.61 . . . . 74.44 110.256 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -63.0 -37.38 86.96 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.063 0.545 . . . . 70.04 111.324 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -66.34 -34.27 77.59 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.777 0.831 . . . . 74.45 110.353 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.66 86.73 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.537 0.735 . . . . 71.33 110.89 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.67 -13.66 59.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.85 0.86 . . . . 74.14 111.341 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.7 m80 67.78 21.63 9.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.255 1.422 . . . . 75.2 111.271 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -82.28 86.58 6.65 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.822 -1.177 . . . . 73.52 107.822 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 t -64.76 -24.07 67.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.412 -1.267 . . . . 74.24 111.876 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.31 -55.17 23.14 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.669 0.788 . . . . 74.2 110.603 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.34 72.0 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 124.054 0.847 . . . . 73.0 112.667 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.96 86.38 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.101 0.561 . . . . 70.43 110.606 174.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -70.3 -30.52 67.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.006 0.922 . . . . 75.02 111.129 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -69.9 -42.62 73.14 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.969 0.908 . . . . 73.53 110.359 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.28 71.6 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 115.233 -0.894 . . . . 73.43 110.064 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -71.86 -27.41 62.86 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.644 0.778 . . . . 74.4 111.783 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -73.79 -42.13 61.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.097 0.559 . . . . 74.41 109.541 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 m -69.13 -28.99 66.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.83 0.852 . . . . 72.3 111.049 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.439 HD22 ' HH ' ' A' ' 78' ' ' TYR . 16.5 mt -64.33 -41.18 96.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.239 0.616 . . . . 75.24 110.735 170.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.9 t -63.45 -41.6 98.64 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 123.707 0.63 . . . . 74.14 110.042 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HA ' HE21 ' A' ' 79' ' ' GLN . 0.6 OUTLIER -57.44 -39.1 75.53 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.037 1.335 . . . . 71.23 110.96 174.113 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' O ' HG22 ' A' ' 81' ' ' VAL . . . -74.04 -44.31 54.73 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.789 0.836 . . . . 74.4 111.504 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.439 ' HH ' HD22 ' A' ' 74' ' ' LEU . 19.4 m-85 -65.96 -30.41 70.96 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.552 0.741 . . . . 75.31 111.88 -174.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 76' ' ' GLU . 48.1 mt-30 -59.49 -37.93 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.714 0.634 . . . . 72.51 110.553 172.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -83.39 -10.26 58.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.139 0.976 . . . . 73.44 112.378 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 HD13 ' A' ' 48' ' ' ILE . 46.4 t . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.3 -0.629 . . . . 73.31 109.3 173.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 8' ' ' ILE . 91.1 Cg_exo . . . . . 0 N--CA 1.493 1.457 0 N-CA-C 114.052 0.751 . . . . 74.54 114.052 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.538 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.5 m-20 -58.08 -43.19 86.88 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.774 1.229 . . . . 75.34 111.92 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.88 -33.07 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.867 0.467 . . . . 74.45 110.613 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -63.4 -39.13 93.67 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.604 -0.725 . . . . 74.3 109.952 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.8 mt -57.98 -41.76 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.34 1.056 . . . . 72.25 110.978 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -56.28 -40.42 74.22 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.048 0.842 . . . . 74.25 111.01 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.32 -39.72 78.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.721 0.809 . . . . 74.23 111.227 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -68.3 -27.43 66.3 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.409 -0.36 . . . . 74.54 110.523 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.95 -33.07 61.89 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 75.44 110.687 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 61.4 mttm -64.19 -46.64 83.06 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.16 0.584 . . . . 71.21 109.613 172.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.4 68.2 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 114.608 -1.178 . . . . 72.43 111.294 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.86 -49.95 40.46 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.254 1.022 . . . . 73.3 110.704 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.86 -31.32 64.65 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.962 -0.563 . . . . 73.44 111.247 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -70.72 -40.94 72.52 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 123.467 0.479 . . . . 73.14 109.989 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . . . -55.88 -42.05 75.37 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.276 -0.874 . . . . 72.01 111.143 173.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.94 -39.17 93.53 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.555 -1.202 . . . . 75.42 110.685 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.88 -40.24 94.7 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.805 0.842 . . . . 73.42 110.749 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.04 -7.21 59.51 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.096 -0.956 . . . . 71.11 111.345 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.404 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.8 OUTLIER 62.77 21.25 12.66 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.945 1.298 . . . . 73.35 111.39 -179.058 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -95.02 101.27 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.013 0.925 . . . . 74.14 109.255 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.04 -24.79 74.55 Favored Glycine 0 C--O 1.216 -0.987 0 CA-C-N 115.581 -0.736 . . . . 71.32 112.319 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.68 -44.15 73.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.98 0.912 . . . . 75.53 111.398 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 33.6 mt -73.83 -37.22 64.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.989 0.915 . . . . 74.41 110.626 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.37 -38.61 87.97 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.217 0.607 . . . . 73.22 111.156 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.57 84.57 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 111.002 -0.839 . . . . 72.11 111.002 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -62.57 -38.56 90.55 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.19 0.596 . . . . 74.43 110.564 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 34' ' ' ILE . . . -60.64 -52.45 65.08 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.91 0.756 . . . . 71.35 110.279 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 66.5 mt -66.76 -38.63 87.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.971 0.908 . . . . 74.32 111.2 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.75 -42.74 93.87 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.128 0.971 . . . . 75.23 110.365 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -69.97 -44.9 68.52 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.09 -0.959 . . . . 71.1 110.795 -179.363 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 30' ' ' ALA . 89.7 mt -59.52 -33.58 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 124.038 0.836 . . . . 73.1 110.208 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.03 -44.48 95.82 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.844 -0.616 . . . . 41.02 112.459 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.8 -34.41 78.29 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.307 0.643 . . . . 73.54 110.562 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.1 mm-40 -69.72 -38.45 76.9 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.349 0.66 . . . . 74.21 111.234 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 8' ' ' ILE . 5.3 mptp? -67.06 -43.38 82.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.092 0.557 . . . . 74.23 110.073 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.65 -41.99 96.08 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.067 0.854 . . . . 73.31 110.69 -173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.65 -24.19 58.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.268 0.627 . . . . 73.51 112.069 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.86 6.96 29.25 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.146 0.578 . . . . 75.31 111.625 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.96 8.16 84.63 Favored Glycine 0 C--N 1.351 1.393 0 O-C-N 123.126 0.266 . . . . 54.34 113.395 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -93.65 55.37 2.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.5 1.12 . . . . 73.1 108.728 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 80' ' ' LYS . 87.4 t -67.77 -32.21 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 113.778 -1.555 . . . . 74.12 111.901 -170.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -62.66 -43.94 97.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.904 0.481 . . . . 75.13 111.129 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -67.87 -42.07 81.88 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.75 -0.659 . . . . 64.44 109.69 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.71 67.66 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 124.486 1.116 . . . . 75.14 111.65 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 81' ' ' VAL . 88.6 mt -51.96 -54.08 15.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 124.598 1.186 . . . . 72.34 110.684 174.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.86 -31.83 73.25 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.973 0.796 . . . . 73.45 111.701 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 56.8 m-85 -70.84 -34.73 71.97 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.356 0.41 . . . . 73.5 111.283 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.2 -28.1 59.86 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.892 0.477 . . . . 75.51 110.583 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 92.8 mt -69.59 -47.89 62.01 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.132 -0.692 . . . . 74.4 109.132 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' O ' HG21 ' A' ' 57' ' ' VAL . 78.3 mtp180 -62.54 -52.5 63.2 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 114.07 -1.423 . . . . 75.12 109.993 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.05 70.22 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.42 1.075 . . . . 54.13 111.212 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.83 -51.19 70.62 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.742 1.277 . . . . 75.53 111.057 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.49 -33.25 74.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.693 0.797 . . . . 72.42 111.478 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 53' ' ' ARG . 94.6 t -74.16 -32.97 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 123.157 0.583 . . . . 73.33 109.585 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.01 -33.4 73.59 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.827 0.451 . . . . 75.12 110.509 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -67.39 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.141 0.577 . . . . 74.02 110.346 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.68 -31.71 69.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.765 . . . . 65.1 111.026 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -87.82 -12.6 44.49 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.593 0.757 . . . . 75.04 111.784 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 65.58 24.99 11.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.591 1.156 . . . . 50.33 111.546 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.78 83.71 6.47 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.11 -1.441 . . . . 71.21 107.11 171.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.54 -39.66 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 114.94 -1.027 . . . . 64.23 112.123 -170.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.48 -42.17 79.04 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.134 0.271 . . . . 53.53 111.29 -173.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.63 -38.37 90.09 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.453 0.47 . . . . 71.52 112.351 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.29 94.71 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.315 0.646 . . . . 72.52 110.965 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -71.35 -29.08 64.55 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.952 0.901 . . . . 74.4 111.495 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -75.3 -33.43 61.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.44 0.696 . . . . 73.2 110.065 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.86 74.46 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.638 -0.71 . . . . 74.31 110.088 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.11 65.63 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 124.085 0.866 . . . . 72.31 112.055 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -70.69 -44.22 67.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.362 0.665 . . . . 75.42 110.391 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -64.92 -29.82 70.78 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.153 -0.93 . . . . 73.21 110.877 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.642 0.777 . . . . 71.11 110.761 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.6 m -56.89 -43.87 81.73 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.694 0.621 . . . . 75.44 110.96 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.78 -40.04 78.9 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.371 1.468 . . . . 73.22 111.543 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.19 -43.5 61.3 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.531 0.733 . . . . 71.44 111.58 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.18 -26.13 64.54 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.544 0.738 . . . . 64.14 112.898 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -60.56 -42.79 97.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.819 0.818 . . . . 71.43 110.351 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.469 ' HB2' HG12 ' A' ' 44' ' ' VAL . 84.8 mttt -79.29 -23.81 43.31 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.272 -1.331 . . . . 65.24 111.37 -175.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.702 HG23 HD13 ' A' ' 48' ' ' ILE . 43.1 t . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 123.526 0.73 . . . . 74.14 110.223 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo . . . . . 0 N--CA 1.499 1.801 0 N-CA-C 114.986 1.11 . . . . 75.23 114.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.552 ' HB2' ' HE3' ' A' ' 41' ' ' MET . 7.1 t70 -69.23 -36.37 77.12 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.676 0.79 . . . . 74.12 111.377 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.27 -29.49 61.69 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.295 0.638 . . . . 73.54 110.598 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -72.0 -29.65 64.43 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.771 0.828 . . . . 74.23 110.447 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.716 HG22 HG22 ' A' ' 34' ' ' ILE . 47.1 mt -67.54 -43.12 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.541 1.137 . . . . 74.33 109.92 173.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.62 79.55 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.905 0.753 . . . . 65.54 111.233 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -62.29 -45.9 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.031 0.932 . . . . 75.33 110.588 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -67.5 -27.9 67.38 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.372 0.669 . . . . 74.13 111.776 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -71.56 -33.1 68.81 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.36 0.664 . . . . 73.24 111.099 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 6.3 ttpm? -69.17 -45.9 68.86 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.514 -0.55 . . . . 75.44 109.514 173.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -29.39 70.79 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.419 0.687 . . . . 73.31 111.289 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -69.28 -44.36 72.02 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 115.934 -0.575 . . . . 74.52 110.306 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 30.0 mmmt -58.46 -40.68 83.31 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 123.258 0.349 . . . . 71.5 110.873 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -60.49 -46.98 88.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.136 0.574 . . . . 73.24 110.143 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.85 77.35 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.743 -1.117 . . . . 71.02 111.886 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.53 -37.26 63.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 73.43 111.407 -174.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 12.6 mm-40 -71.3 -24.74 62.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.594 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt -91.24 -8.24 48.98 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.552 0.741 . . . . 74.44 110.663 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.8 32.28 21.24 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 125.442 1.497 . . . . 72.14 111.053 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -92.14 89.13 6.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.201 -0.909 . . . . 75.32 109.012 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.89 -24.29 41.24 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 116.553 1.381 . . . . 64.21 116.553 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.59 -52.96 48.23 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 117.839 0.819 . . . . 72.23 109.654 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.72 -41.21 94.86 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.907 0.883 . . . . 74.44 111.555 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.475 ' HB2' HG13 ' A' ' 57' ' ' VAL . 80.7 mtp -67.19 -50.47 60.86 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.016 0.822 . . . . 74.35 110.697 -175.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.49 95.87 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 124.228 0.955 . . . . 74.33 112.441 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -61.45 -39.84 92.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.35 0.66 . . . . 75.31 111.383 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.62 60.69 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.712 0.633 . . . . 74.12 110.52 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 53' ' ' ARG . 32.5 mt -62.06 -37.75 86.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.861 0.864 . . . . 73.32 111.45 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.95 -44.18 90.25 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.617 0.767 . . . . 74.33 110.735 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 62.2 t30 -66.98 -42.31 85.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.379 1.071 . . . . 75.04 110.265 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.716 HG22 HG22 ' A' ' 8' ' ' ILE . 94.7 mt -57.82 -46.35 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.45 1.1 . . . . 75.01 110.179 174.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -40.97 99.39 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-N 115.103 -0.953 . . . . 61.31 112.288 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.4 mt -62.12 -41.89 98.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.162 0.585 . . . . 75.54 110.508 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 41.1 mm-40 -63.63 -44.78 92.89 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.202 0.601 . . . . 75.11 111.191 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HE2' HG21 ' A' ' 8' ' ' ILE . 71.1 mmtt -58.26 -41.35 84.06 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.866 0.866 . . . . 74.23 110.875 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.38 -29.19 66.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.092 0.957 . . . . 72.02 111.217 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 92.0 mttt -76.07 -35.74 59.26 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.589 0.756 . . . . 73.3 111.496 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.552 ' HE3' ' HB2' ' A' ' 5' ' ' ASP . 22.9 ptm -96.24 12.31 31.42 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.441 0.696 . . . . 74.41 112.367 -173.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.88 -3.06 81.61 Favored Glycine 0 N--CA 1.474 1.225 0 N-CA-C 114.48 0.552 . . . . 74.31 114.48 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.27 55.62 3.12 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.302 1.049 . . . . 73.32 109.654 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.41 -21.09 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 113.83 -1.532 . . . . 75.14 111.658 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -43.71 98.06 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.979 0.912 . . . . 74.13 110.291 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.97 -30.06 58.47 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.891 0.476 . . . . 70.1 110.468 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.3 75.18 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.95 0.781 . . . . 74.45 110.62 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.6 mt -54.05 -54.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.549 1.156 . . . . 72.24 110.566 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.18 -43.49 74.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 124.176 0.922 . . . . 72.54 111.027 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -74.12 -30.58 62.37 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.735 0.814 . . . . 75.3 113.029 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.75 -28.14 60.64 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.205 0.457 . . . . 75.41 110.131 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 93.9 mt -70.78 -42.6 70.15 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.745 -0.835 . . . . 74.44 108.745 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HB3' HD11 ' A' ' 31' ' ' LEU . 95.3 mtt180 -65.1 -44.59 88.31 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.738 -1.119 . . . . 74.54 110.502 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.63 71.34 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.329 0.651 . . . . 74.12 110.783 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.07 -34.72 79.09 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.47 1.106 . . . . 74.43 110.253 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -58.85 -44.29 90.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 74.45 110.837 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 27' ' ' MET . 57.3 t -71.84 -36.93 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.357 -0.838 . . . . 75.12 110.498 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.8 -32.45 73.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.177 0.591 . . . . 73.42 111.521 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -75.42 -29.78 59.86 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.03 0.532 . . . . 75.32 110.066 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.56 0.744 . . . . 75.4 110.305 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.3 -15.36 55.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.365 0.666 . . . . 74.44 111.087 171.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 61.93 20.26 11.38 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.126 1.37 . . . . 72.14 111.699 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.94 97.79 10.43 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 123.872 0.869 . . . . 74.51 108.706 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 11.5 t -67.63 -31.74 71.96 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.634 -0.712 . . . . 75.31 111.527 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.03 -53.41 58.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.391 1.076 . . . . 74.22 111.312 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.29 -37.24 86.17 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 115.611 -0.722 . . . . 75.44 111.931 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.11 72.1 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.019 0.528 . . . . 74.43 111.869 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 64' ' ' THR . 94.0 mtt180 -70.38 -31.63 68.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.368 0.667 . . . . 72.45 110.646 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -67.47 -47.06 71.21 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.118 0.567 . . . . 73.34 109.715 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.97 -34.34 77.88 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.483 -0.781 . . . . 72.25 111.238 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.38 62.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.497 0.719 . . . . 71.23 111.2 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.41 -48.25 80.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.397 0.679 . . . . 73.34 109.727 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -69.56 -29.23 66.75 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.728 -1.124 . . . . 73.44 111.603 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.96 -42.28 99.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.264 0.626 . . . . 72.41 110.913 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.0 t -63.72 -39.91 95.46 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.157 0.583 . . . . 74.54 110.242 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.19 -34.81 78.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.335 1.054 . . . . 74.11 110.896 173.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.72 -47.03 56.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.906 0.882 . . . . 73.11 112.19 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.89 -34.13 75.47 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.944 0.498 . . . . 75.13 111.39 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.64 -36.68 72.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.445 0.698 . . . . 62.24 112.209 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.91 -29.92 26.75 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.587 0.755 . . . . 74.34 111.477 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 123.841 0.856 . . . . 72.55 112.594 -172.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 N--CA 1.492 1.389 0 N-CA-C 115.1 1.154 . . . . 74.23 115.1 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.1 p-10 -72.43 -32.36 66.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.975 0.51 . . . . 71.21 111.683 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.87 -37.33 78.99 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.34 109.936 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -66.44 -42.2 88.03 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.007 -0.997 . . . . 72.15 110.18 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.594 HD11 ' HE2' ' A' ' 38' ' ' LYS . 72.3 mt -54.73 -49.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.632 1.173 . . . . 72.43 110.483 173.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.11 73.64 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.883 0.739 . . . . 71.44 111.572 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -69.18 -47.18 65.6 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.129 0.972 . . . . 72.3 110.783 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.85 -24.98 64.42 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.753 0.821 . . . . 72.42 111.825 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 4.5 tm-20 -74.19 -37.04 64.05 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.281 1.032 . . . . 73.44 110.378 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.6 -39.24 73.92 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.861 -0.422 . . . . 72.42 109.861 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.36 70.58 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.531 -0.759 . . . . 74.52 111.249 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 46.6 t80 -66.87 -45.68 77.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.4 1.08 . . . . 73.24 111.111 174.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 97.5 mttt -65.59 -39.67 91.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.403 0.681 . . . . 71.23 111.074 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -66.76 -41.68 87.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.113 0.565 . . . . 71.45 110.407 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.77 76.77 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.773 1.229 . . . . 71.0 111.618 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -70.92 -34.43 71.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.774 1.23 . . . . 63.44 110.003 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 54.8 mt-10 -66.94 -38.17 85.66 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.723 0.809 . . . . 75.22 110.822 174.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.6 -12.66 59.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.2 -0.909 . . . . 73.11 111.78 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 t30 61.99 31.17 18.1 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.563 1.145 . . . . 64.43 110.803 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.432 ' HB2' HD13 ' A' ' 26' ' ' LEU . 46.7 mt-30 -105.08 98.76 8.42 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.217 -1.031 . . . . 72.02 108.217 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.74 -23.79 76.63 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.127 -0.942 . . . . 72.53 113.276 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.06 -40.13 80.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.097 0.559 . . . . 74.53 110.235 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 23' ' ' GLN . 71.0 mt -72.64 -46.65 52.97 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.999 0.92 . . . . 72.01 110.368 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.0 mtm -61.38 -39.16 89.67 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.491 0.716 . . . . 73.34 112.108 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.17 -45.82 68.84 Favored Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.049 -0.978 . . . . 61.32 111.734 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.63 -30.94 71.97 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.628 0.771 . . . . 74.04 110.811 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.5 57.48 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.381 0.672 . . . . 73.0 110.779 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.48 -30.41 68.29 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.043 0.937 . . . . 74.13 111.708 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.73 -47.66 80.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.502 -0.772 . . . . 73.32 109.97 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.28 -40.96 98.83 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.62 0.768 . . . . 73.02 111.166 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG21 HG21 ' A' ' 8' ' ' ILE . 81.6 mt -60.15 -43.65 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.877 0.871 . . . . 73.55 110.363 175.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.29 -36.7 93.08 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.359 -0.837 . . . . 74.43 112.817 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.92 -39.03 93.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.344 0.658 . . . . 64.33 110.438 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.797 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 29.6 mm-40 -66.01 -47.08 75.66 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.978 -0.555 . . . . 74.51 110.717 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.594 ' HE2' HD11 ' A' ' 8' ' ' ILE . 71.3 mmtt -56.82 -41.87 78.6 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.988 0.915 . . . . 64.14 112.25 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -61.27 -40.44 94.13 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.062 0.945 . . . . 73.4 110.606 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.797 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 36.9 mtmt -65.42 -38.6 90.41 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.541 0.736 . . . . 74.25 110.569 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.536 ' HE3' ' HD2' ' A' ' 43' ' ' LYS . 79.8 mtp -73.46 -9.12 58.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.895 0.878 . . . . 72.41 111.776 -175.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.09 -0.16 83.66 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 123.442 0.464 . . . . 71.34 112.02 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HD2' ' HE3' ' A' ' 41' ' ' MET . 45.7 mttm -87.88 55.74 3.6 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.562 1.145 . . . . 75.41 109.514 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.96 -25.63 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 113.769 -1.56 . . . . 74.33 110.793 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -59.89 -45.04 93.77 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.184 0.594 . . . . 74.32 109.83 174.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.217 -0.901 . . . . 72.52 110.433 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.07 73.23 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.686 0.795 . . . . 74.21 111.384 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.553 HD13 HG22 ' A' ' 81' ' ' VAL . 95.3 mt -52.77 -52.25 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.059 1.344 . . . . 75.13 110.474 173.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.8 -34.19 76.76 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.053 0.845 . . . . 74.33 111.977 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.74 -36.44 65.15 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.98 0.512 . . . . 74.41 111.673 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.73 -27.98 62.37 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.48 0.488 . . . . 75.52 110.609 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.58 -45.01 63.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.228 0.611 . . . . 73.11 109.461 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 57' ' ' VAL . 95.5 mtt180 -59.74 -52.19 66.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.054 0.846 . . . . 75.31 109.348 173.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.55 72.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 124.265 0.978 . . . . 73.41 111.064 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.72 -36.16 83.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.075 0.95 . . . . 72.23 111.205 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -64.86 -42.06 95.18 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.87 0.868 . . . . 75.4 110.866 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 53' ' ' ARG . 90.4 t -71.58 -39.24 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-N 115.164 -0.926 . . . . 74.25 110.223 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.21 -33.36 75.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.517 0.727 . . . . 74.24 111.44 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.28 -38.76 92.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.988 0.915 . . . . 75.35 109.871 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.27 72.37 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.212 -0.904 . . . . 65.13 111.179 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.43 -15.43 60.91 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.31 0.644 . . . . 71.21 111.566 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.1 m170 61.24 27.77 17.44 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.562 1.145 . . . . 54.43 110.97 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -82.63 90.52 6.83 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.951 -1.129 . . . . 61.01 107.951 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.01 -27.85 69.7 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.042 -0.981 . . . . 75.35 112.449 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.53 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 29.2 t70 -68.46 -44.59 74.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.191 0.596 . . . . 73.34 110.958 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.67 -35.21 51.82 Favored Glycine 0 C--N 1.334 0.445 0 O-C-N 124.043 0.839 . . . . 63.15 112.216 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.02 97.46 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.049 0.54 . . . . 74.35 110.701 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 37.8 ptt85 -72.71 -30.98 64.66 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.197 0.599 . . . . 75.34 111.023 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 12.8 ttt180 -68.81 -48.96 62.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.873 1.269 . . . . 75.41 110.02 -174.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.62 66.08 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 114.262 -1.336 . . . . 75.1 110.675 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.49 86.04 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.513 0.725 . . . . 73.12 111.883 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -73.18 -41.77 63.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.618 -0.719 . . . . 74.31 109.809 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -67.2 -28.65 68.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.527 0.731 . . . . 73.42 111.402 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.24 -51.12 70.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.512 0.725 . . . . 74.54 110.011 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -56.74 -45.01 82.22 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 124.134 0.896 . . . . 74.21 110.776 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -33.22 75.03 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.389 1.476 . . . . 64.52 111.496 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 -47.54 35.57 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.573 0.749 . . . . 63.02 110.462 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -57.98 -24.83 59.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.443 0.697 . . . . 73.22 112.284 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -55.86 -43.12 76.8 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.102 0.961 . . . . 73.53 111.72 176.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -72.62 -32.58 66.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.867 0.867 . . . . 75.44 110.445 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.553 HG22 HD13 ' A' ' 48' ' ' ILE . 61.6 t . . . . . 0 CA--C 1.552 1.035 0 C-N-CA 123.962 0.905 . . . . 74.45 110.751 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 N--CA 1.492 1.408 0 CA-C-O 120.726 0.219 . . . . 74.51 112.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.71 -37.04 77.77 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.636 1.175 . . . . 74.33 111.888 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -61.85 -42.68 99.34 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.107 0.563 . . . . 74.45 110.726 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -68.75 -40.65 79.7 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.406 0.682 . . . . 65.22 110.122 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.43 -36.31 58.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.305 1.042 . . . . 75.15 110.724 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.75 76.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.663 0.785 . . . . 71.01 111.86 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -70.6 -35.34 72.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.111 0.564 . . . . 74.32 110.322 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.67 -27.25 60.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.167 0.587 . . . . 72.25 111.31 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.94 -38.13 61.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.669 0.787 . . . . 73.21 109.76 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HB3' ' HZ3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.22 -36.27 74.43 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.285 -0.635 . . . . 73.24 109.285 174.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.91 78.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.106 0.562 . . . . 73.41 110.581 174.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.72 -47.24 78.99 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.644 0.778 . . . . 73.42 109.781 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 72.0 mmtt -70.52 -32.74 70.32 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.19 0.931 . . . . 74.31 111.768 -177.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -67.08 -46.28 74.75 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.542 0.526 . . . . 74.01 109.621 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.75 -27.21 67.42 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.185 -0.916 . . . . 65.02 111.809 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.08 -35.44 59.38 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.429 1.091 . . . . 73.53 111.106 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 32.2 mm-40 -71.81 -32.68 67.83 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.341 -0.39 . . . . 75.01 110.578 175.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.15 -16.02 51.29 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.667 0.787 . . . . 74.44 110.66 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.37 27.57 15.56 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.859 1.664 . . . . 75.05 111.904 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -73.44 95.68 2.26 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.555 -0.905 . . . . 75.04 108.555 173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' HA2' ' HE1' ' A' ' 27' ' ' MET . . . -55.16 -53.48 40.22 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 124.416 1.073 . . . . 70.11 113.499 -172.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HE1' ' A' ' 58' ' ' PHE . 32.6 tt0 -52.79 -46.7 67.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.054 0.942 . . . . 74.5 111.582 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -40.11 94.68 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.017 0.823 . . . . 72.24 110.003 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.509 ' HE1' ' HA2' ' A' ' 24' ' ' GLY . 56.1 mtm -61.57 -40.95 96.6 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.734 -0.666 . . . . 75.33 111.247 175.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.91 97.15 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.531 0.519 . . . . 74.31 111.838 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 87.0 mtt-85 -64.7 -38.47 91.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.27 0.628 . . . . 74.51 110.515 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.02 83.69 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.336 1.022 . . . . 73.42 110.897 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.94 -38.9 92.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.949 0.9 . . . . 74.23 111.105 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.91 -43.57 98.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.103 0.961 . . . . 72.54 110.323 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -65.24 -42.61 93.16 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.734 0.813 . . . . 73.35 111.127 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.88 -44.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.325 0.65 . . . . 75.34 109.857 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.13 98.29 Favored Glycine 0 C--N 1.348 1.227 0 O-C-N 124.38 1.05 . . . . 51.21 113.18 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.44 -40.9 88.28 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.126 0.57 . . . . 72.42 110.666 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.616 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 19.1 mt-10 -80.82 -27.05 36.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.51 0.724 . . . . 72.12 112.63 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.59 -40.35 96.73 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.118 -0.697 . . . . 73.43 109.118 170.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -62.07 -48.89 78.17 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 114.566 -1.197 . . . . 75.01 111.159 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.616 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 15.1 ptmt -68.83 -20.59 64.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.486 0.55 . . . . 73.3 112.486 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' HE2' ' HD2' ' A' ' 43' ' ' LYS . 72.6 mtm -80.59 -18.09 49.35 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.466 0.306 . . . . 72.35 111.732 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.97 1.91 67.02 Favored Glycine 0 N--CA 1.47 0.915 0 N-CA-C 111.967 -0.453 . . . . 71.51 111.967 -172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HD2' ' HE2' ' A' ' 41' ' ' MET . 89.1 mttt -91.56 54.15 2.43 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.176 -1.046 . . . . 73.21 108.176 174.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 t -76.85 -22.37 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.37 -1.286 . . . . 72.32 110.878 -170.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -57.88 -45.61 86.14 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.541 0.336 . . . . 70.23 110.18 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.72 -45.38 93.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.684 -0.689 . . . . 65.21 110.19 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.55 70.74 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 124.01 0.924 . . . . 74.31 111.796 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.8 mt -56.96 -52.35 56.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.541 0 O-C-N 124.483 1.114 . . . . 70.42 110.026 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.6 -31.91 73.34 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.919 0.762 . . . . 75.02 111.707 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.68 -35.93 67.78 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.658 0.383 . . . . 74.14 111.101 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.57 -29.25 63.37 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 123.58 0.55 . . . . 74.43 109.912 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.6 mt -73.07 -44.44 60.59 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.324 0.65 . . . . 72.33 110.365 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 57' ' ' VAL . 26.7 mtp180 -66.39 -44.58 82.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.524 0.73 . . . . 75.12 109.4 178.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.22 70.83 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 123.999 0.812 . . . . 75.43 110.925 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.62 -45.61 85.15 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 124.432 1.082 . . . . 74.41 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -59.85 -38.22 81.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.4 1.062 . . . . 74.11 110.991 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 53' ' ' ARG . 46.4 t -68.98 -43.74 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.775 -0.648 . . . . 74.31 109.83 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' HE1' ' HG3' ' A' ' 25' ' ' GLU . 50.9 m-85 -64.4 -26.95 68.68 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.905 0.482 . . . . 75.22 111.818 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.47 -35.22 75.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.423 0.689 . . . . 64.25 109.726 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.02 -36.42 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.961 0.904 . . . . 75.34 110.989 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 25.6 mm-40 -76.48 -15.85 59.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.971 0.908 . . . . 74.04 111.185 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.7 m80 66.01 21.45 11.28 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 124.652 1.181 . . . . 73.31 111.663 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.7 88.01 7.06 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.734 -0.839 . . . . 75.34 108.734 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -59.92 -32.22 70.56 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.926 0.89 . . . . 70.23 111.582 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.04 -51.46 69.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.071 0.948 . . . . 72.23 110.42 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.49 -37.3 78.45 Favored Glycine 0 C--N 1.354 1.583 0 O-C-N 123.865 0.728 . . . . 63.24 113.218 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.997 0.519 . . . . 71.24 110.692 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.07 -29.06 67.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.045 -0.979 . . . . 71.02 111.396 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -65.31 -44.76 86.84 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.542 0.737 . . . . 74.35 110.737 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.65 78.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.718 -0.674 . . . . 64.14 110.691 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -68.73 -26.85 65.46 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.698 0.799 . . . . 72.21 112.369 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -68.88 -43.21 75.77 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.727 0.811 . . . . 74.51 109.741 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -69.2 -30.93 69.22 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 114.876 -1.056 . . . . 62.44 110.955 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 71' ' ' ALA . 28.1 mt -62.1 -45.74 92.16 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.774 0.83 . . . . 73.13 111.049 172.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 t -57.59 -37.42 73.17 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.132 0.895 . . . . 63.31 111.258 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -78.27 -37.63 44.58 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.042 0.937 . . . . 74.33 111.565 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.18 93.83 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.51 0.724 . . . . 74.24 111.383 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -66.76 -24.91 66.27 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.442 0.697 . . . . 73.31 112.302 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -67.67 -42.36 82.28 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.471 0.308 . . . . 71.24 111.196 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -83.09 -32.39 26.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.228 -0.442 . . . . 75.04 111.924 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 122.974 0.51 . . . . 74.5 109.861 178.075 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo . . . . . 0 N--CA 1.497 1.704 0 N-CA-C 114.662 0.985 . . . . 72.33 114.662 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.458 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 21.6 t70 -60.35 -47.8 84.47 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.711 0.805 . . . . 73.33 111.376 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.6 -31.34 57.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.775 -1.102 . . . . 62.14 110.291 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -68.62 -26.88 65.58 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.592 1.157 . . . . 63.23 111.132 -173.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 4' ' ' PRO . 96.7 mt -52.61 -41.59 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.527 1.131 . . . . 73.24 111.608 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.75 65.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.683 0.793 . . . . 74.23 112.456 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -65.3 -46.46 80.25 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 73.54 110.418 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.14 -24.87 62.35 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.605 0.762 . . . . 73.35 111.989 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.09 -39.72 86.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.473 0.709 . . . . 72.21 110.101 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HB3' ' HZ2' ' A' ' 13' ' ' LYS . 8.4 mtpm? -76.36 -32.8 58.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.493 -0.776 . . . . 74.3 110.457 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.46 78.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.112 0.565 . . . . 73.24 109.79 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.36 -45.53 79.82 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 115.14 -0.936 . . . . 71.45 109.945 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 19' ' ' GLU . 58.6 mttm -74.05 -24.17 59.49 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.739 0.649 . . . . 73.53 112.615 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -74.44 -35.08 63.35 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.203 -1.036 . . . . 63.25 108.203 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.6 75.53 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.596 -0.729 . . . . 43.21 111.249 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.576 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 37.1 tt0 -77.01 -39.25 50.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.732 1.613 . . . . 73.24 111.652 -173.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 9.3 pt-20 -62.55 -32.85 73.87 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.051 0.453 . . . . 72.12 110.206 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 59.6 mt -90.42 -17.81 26.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.844 0.858 . . . . 74.02 110.696 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.3 m120 60.02 27.92 17.39 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.648 1.179 . . . . 70.14 112.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.472 ' HG2' ' HB2' ' A' ' 21' ' ' LEU . 18.6 mm-40 -57.05 -72.66 0.08 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.742 0.817 . . . . 74.31 111.568 -172.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.08 -92.15 0.15 Allowed Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.393 -0.821 . . . . 74.13 111.499 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 6.8 pt-20 -56.03 -31.05 62.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.061 0.944 . . . . 71.3 112.895 -166.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.96 -46.42 89.47 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.896 0.878 . . . . 72.13 110.724 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.9 mtm -59.92 -43.98 94.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.73 0.412 . . . . 75.25 110.099 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.89 93.79 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.671 0.607 . . . . 71.31 112.92 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 65.1 mtt-85 -68.79 -42.95 76.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.755 0.822 . . . . 75.22 110.003 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.49 -51.77 67.27 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.254 0.971 . . . . 64.22 110.211 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 43.8 mt -55.55 -48.42 74.77 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.574 1.171 . . . . 73.22 110.792 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.461 ' HE1' ' HA ' ' A' ' 70' ' ' ALA . 72.8 t80 -59.12 -45.83 89.89 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.534 0.734 . . . . 73.12 111.016 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.1 m-20 -67.35 -40.62 85.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.565 0.746 . . . . 73.35 111.328 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 84.9 mt -61.92 -41.9 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.046 0.539 . . . . 63.54 109.77 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.44 -38.02 95.08 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-N 115.222 -0.899 . . . . 72.14 111.814 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 96.0 mt -61.74 -45.77 92.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.081 0.553 . . . . 74.52 109.688 174.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 13.3 mm-40 -59.12 -41.15 87.51 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 123.801 0.688 . . . . 74.34 110.874 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 75.8 mmtt -62.53 -48.67 78.49 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.87 -0.604 . . . . 65.35 110.128 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -61.14 -33.62 73.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.378 1.071 . . . . 74.51 111.175 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 87.8 mttt -67.39 -39.47 85.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.864 0.866 . . . . 75.33 110.659 175.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.458 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 78.0 mtm -79.53 -6.28 56.66 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.726 0.81 . . . . 75.11 112.271 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.2 12.4 82.35 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 112.774 -0.13 . . . . 72.33 112.774 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.82 55.28 2.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.771 1.229 . . . . 75.24 109.287 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 48' ' ' ILE . 32.6 t -68.81 -25.64 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 123.578 0.751 . . . . 75.44 111.778 -169.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HE3' HG12 ' A' ' 81' ' ' VAL . 48.6 mmtm -62.7 -47.23 84.51 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.235 0.614 . . . . 75.44 110.937 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.39 -39.91 89.34 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.155 -0.929 . . . . 71.31 109.575 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.26 -46.63 72.7 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.058 0.943 . . . . 64.42 111.488 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.708 HD13 HG21 ' A' ' 81' ' ' VAL . 81.5 mt -52.96 -53.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 124.481 1.113 . . . . 72.2 110.494 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -39.23 66.35 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 124.378 1.049 . . . . 62.11 112.438 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 65.3 m-85 -73.42 -39.81 64.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.08 0.552 . . . . 71.54 111.934 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.16 -27.88 64.89 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.777 0.431 . . . . 75.14 110.897 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 85.5 mt -68.36 -48.84 63.72 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.114 -0.698 . . . . 64.53 109.114 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 57' ' ' VAL . 80.6 mtt85 -69.3 -34.14 74.24 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.112 -1.404 . . . . 75.22 110.857 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.35 -50.48 67.6 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.136 0.574 . . . . 73.31 110.155 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.32 -41.47 93.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 114.94 -1.027 . . . . 74.32 110.668 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -44.68 94.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.723 1.209 . . . . 75.54 111.503 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 53' ' ' ARG . 66.4 t -65.84 -51.95 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.553 -0.748 . . . . 74.21 110.398 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -58.98 -36.01 74.16 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.623 0.577 . . . . 74.14 111.368 177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.27 -39.9 89.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.406 0.683 . . . . 54.01 110.67 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.64 75.06 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.768 0.667 . . . . 72.24 111.32 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -87.29 -9.33 55.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.383 1.073 . . . . 74.24 111.722 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 66.78 29.05 8.7 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.838 1.255 . . . . 72.14 111.079 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.69 98.48 6.24 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.445 -1.317 . . . . 73.13 107.445 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.3 t -64.1 -40.81 97.02 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.986 -1.006 . . . . 72.33 111.865 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.86 -55.99 26.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.746 0.418 . . . . 72.11 110.54 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.22 -34.46 75.39 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 124.797 1.31 . . . . 53.12 114.632 -170.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.81 70.62 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.902 -0.407 . . . . 54.24 109.902 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -69.56 -28.88 66.36 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.795 0.838 . . . . 74.53 111.082 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -69.41 -42.27 75.26 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.175 1.39 . . . . 72.31 110.519 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HA ' ' HE1' ' A' ' 32' ' ' TYR . . . -69.71 -38.61 77.0 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 114.881 -1.054 . . . . 71.12 110.011 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.23 71.18 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 124.061 0.851 . . . . 73.14 111.676 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -71.98 -45.97 59.04 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.319 1.048 . . . . 73.53 110.609 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -69.5 -30.04 67.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.37 -0.832 . . . . 43.15 110.121 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.64 -37.01 83.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.791 0.836 . . . . 75.21 111.298 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -64.2 -34.21 77.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.55 0.34 . . . . 74.13 110.952 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 58.1 mm-40 -70.68 -47.79 58.1 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.942 0.497 . . . . 63.14 110.657 170.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.0 73.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.111 0.964 . . . . 75.15 112.147 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -62.61 -33.89 75.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.183 0.993 . . . . 75.12 112.446 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.59 -47.0 77.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.267 -0.642 . . . . 75.12 109.267 175.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 76' ' ' GLU . 49.4 mttm -68.85 -20.42 64.29 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.374 0.67 . . . . 75.44 111.432 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.708 HG21 HD13 ' A' ' 48' ' ' ILE . 39.0 t . . . . . 0 N--CA 1.475 0.806 0 C-N-CA 124.576 1.15 . . . . 72.25 111.243 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 N--CA 1.496 1.637 0 N-CA-C 114.003 0.732 . . . . 54.33 114.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.88 -38.04 87.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.63 0.772 . . . . 74.31 111.566 176.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.13 -37.46 87.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.893 0.477 . . . . 73.23 110.377 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -69.88 -33.24 71.96 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 115.705 -0.679 . . . . 71.42 111.155 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.49 HD11 ' HE2' ' A' ' 38' ' ' LYS . 58.1 mt -52.72 -50.93 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.212 0.605 . . . . 74.53 110.143 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.39 79.69 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 124.314 1.009 . . . . 74.34 111.329 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 84.3 tttt -66.2 -38.63 88.45 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.636 0.774 . . . . 74.41 111.449 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -75.75 -24.92 56.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.338 0.655 . . . . 65.42 110.602 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 50.0 mt-10 -70.7 -31.64 68.57 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.606 0.763 . . . . 74.33 110.772 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 26.8 mtpp -63.68 -42.39 98.05 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.411 0.684 . . . . 65.21 109.445 172.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.24 -29.55 66.38 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.251 -0.886 . . . . 74.23 111.26 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -68.86 -45.72 70.34 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.164 0.986 . . . . 72.11 111.232 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mmtp -76.41 -31.99 58.26 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.468 -0.787 . . . . 75.24 111.019 -176.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.51 -43.27 85.75 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.774 -0.454 . . . . 74.44 109.774 172.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.284 1.033 . . . . 64.13 111.222 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.316 1.046 . . . . 62.11 110.731 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 28.6 mm-40 -70.0 -31.56 69.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.001 0.52 . . . . 72.34 111.17 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.78 -13.77 59.79 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.304 0.642 . . . . 74.02 110.603 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 m120 62.81 30.62 16.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.651 1.18 . . . . 73.53 111.086 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' HB2' HD13 ' A' ' 26' ' ' LEU . 73.7 mt-30 -110.4 105.73 14.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.303 -0.999 . . . . 74.14 108.303 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' ' HE1' ' A' ' 27' ' ' MET . . . -66.65 -37.88 92.81 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.321 -0.854 . . . . 71.03 113.27 -174.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.53 -36.74 69.56 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.518 0.727 . . . . 73.44 111.401 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 23' ' ' GLN . 78.2 mt -66.48 -43.25 85.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.998 0.919 . . . . 74.42 110.655 174.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.475 ' HE1' ' HA2' ' A' ' 24' ' ' GLY . 52.0 mtm -64.49 -35.22 80.22 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.622 0.769 . . . . 71.11 111.203 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.52 -45.97 80.86 Favored Glycine 0 C--N 1.347 1.152 0 N-CA-C 110.934 -0.866 . . . . 61.41 110.934 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.32 -35.25 76.86 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.537 0.735 . . . . 73.12 110.715 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.55 57.31 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.656 0.782 . . . . 64.23 111.031 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 96.3 mt -63.3 -36.36 83.42 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.627 0.771 . . . . 72.5 110.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -58.83 -49.76 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.466 1.106 . . . . 74.22 110.829 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 85.7 m-20 -66.19 -37.63 86.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.681 0.792 . . . . 72.34 111.281 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.445 HG23 HG21 ' A' ' 8' ' ' ILE . 95.1 mt -59.72 -43.16 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.776 0.83 . . . . 73.3 110.013 173.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.43 89.57 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 114.967 -1.015 . . . . 74.33 112.514 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.79 -38.77 92.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.106 0.562 . . . . 74.33 110.547 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 27.2 mm-40 -70.76 -40.79 72.47 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.883 0.74 . . . . 72.42 110.677 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE2' HD11 ' A' ' 8' ' ' ILE . 73.8 mmtt -59.77 -45.12 93.25 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.144 0.577 . . . . 74.31 110.142 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.91 -44.04 97.16 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.533 1.133 . . . . 72.25 110.836 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -74.66 -21.11 59.59 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.16 0.584 . . . . 74.43 111.605 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.6 mtp -84.32 -0.86 54.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.57 0.748 . . . . 75.13 111.706 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.54 1.98 90.56 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.276 0.36 . . . . 62.13 112.993 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -93.28 56.0 2.39 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.844 1.258 . . . . 73.1 108.702 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.2 t -65.53 -25.44 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 CA-C-N 113.217 -1.811 . . . . 73.22 111.311 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -63.48 -51.9 63.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.205 0.602 . . . . 74.02 111.091 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.02 -32.71 74.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.043 0.839 . . . . 73.34 110.774 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.67 72.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.772 0.829 . . . . 73.43 110.903 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.35 -46.11 81.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 124.884 1.274 . . . . 73.14 110.702 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -53.89 -45.51 71.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.327 1.017 . . . . 61.01 110.928 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.455 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 40.6 m-85 -73.62 -32.01 63.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.366 -0.834 . . . . 75.02 112.731 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -74.7 -28.67 60.91 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.301 0.375 . . . . 73.14 110.444 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -75.41 -41.38 56.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.464 0.706 . . . . 72.45 109.618 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.513 ' O ' HG21 ' A' ' 57' ' ' VAL . 72.1 mtt85 -70.62 -35.92 73.19 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.125 -0.943 . . . . 74.04 110.562 175.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.65 68.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.255 0.622 . . . . 62.13 110.146 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.64 -34.96 79.43 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 124.578 1.174 . . . . 72.21 110.691 -178.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.95 -47.66 77.19 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.627 0.771 . . . . 63.31 110.923 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 53' ' ' ARG . 25.2 t -70.57 -34.42 57.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.743 -0.662 . . . . 75.14 110.127 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.76 -37.82 87.39 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.123 0.569 . . . . 71.15 111.338 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.47 -33.16 72.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.408 0.683 . . . . 75.2 109.677 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.37 85.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.597 0.759 . . . . 73.14 110.637 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.85 -14.0 58.99 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.739 0.816 . . . . 72.14 111.831 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.8 m80 68.97 22.66 6.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.96 1.304 . . . . 75.12 110.463 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -88.42 101.5 13.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.538 1.135 . . . . 74.23 109.309 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.172 0.589 . . . . 75.25 111.777 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.81 -47.18 78.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.542 0.737 . . . . 74.41 110.734 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.78 -32.04 61.75 Favored Glycine 0 C--N 1.339 0.742 0 O-C-N 124.142 0.901 . . . . 75.13 112.734 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.4 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.738 0.415 . . . . 73.11 110.412 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.31 -35.11 66.02 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.227 1.011 . . . . 73.33 110.856 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -60.17 -46.23 90.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.952 0.901 . . . . 75.35 109.487 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.25 84.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 114.646 -1.161 . . . . 74.05 110.866 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.274 0.842 . . . . 71.23 113.274 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -75.61 -40.18 56.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.391 0.676 . . . . 75.5 109.585 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.6 m -70.55 -29.71 66.25 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.416 -0.811 . . . . 75.34 111.073 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -69.86 -42.91 72.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.892 0.877 . . . . 75.02 110.555 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 31.2 t -60.01 -41.79 92.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.909 0.755 . . . . 62.5 110.113 -177.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 43.4 mt-10 -65.03 -45.46 85.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.657 0.598 . . . . 74.01 111.268 171.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.58 79.73 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.112 0.882 . . . . 73.45 111.339 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -66.53 -32.46 73.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.97 0.908 . . . . 72.41 111.652 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 75' ' ' SER . 77.1 mt-30 -62.61 -44.03 97.33 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.374 0.67 . . . . 74.32 110.912 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 44.7 mttm -72.46 -36.54 68.51 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.803 0.841 . . . . 65.1 110.327 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.481 1.082 0 C-N-CA 124.802 1.241 . . . . 75.13 111.342 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.433 ' HA ' HD21 ' A' ' 7' ' ' ASN . 98.4 Cg_exo . . . . . 0 CA--C 1.545 1.052 0 N-CA-C 113.298 0.461 . . . . 73.4 113.298 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.82 -47.17 86.31 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.212 1.005 . . . . 73.34 111.012 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.76 -27.29 61.93 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.888 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.433 HD21 ' HA ' ' A' ' 4' ' ' PRO . 83.4 m-20 -66.65 -38.76 87.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.011 0.524 . . . . 72.43 109.822 177.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.87 -38.33 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.141 0.976 . . . . 74.44 110.666 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.19 82.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.356 0.662 . . . . 74.24 111.312 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.04 -47.45 82.96 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.472 0.653 . . . . 74.22 109.788 172.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -70.68 -21.3 62.6 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.783 -1.099 . . . . 71.2 111.404 -174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.72 -42.15 97.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.862 0.865 . . . . 74.03 110.913 171.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -37.73 88.1 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.231 -0.655 . . . . 64.31 109.231 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.46 91.16 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.656 0.598 . . . . 74.41 111.497 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -74.29 -49.95 20.93 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.603 0.761 . . . . 75.21 111.362 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.11 -32.83 63.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.543 0.737 . . . . 74.32 111.503 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 56.8 tttp -78.3 -28.45 47.46 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 110.199 -0.297 . . . . 63.51 110.199 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.17 94.97 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.351 0.596 . . . . 73.21 110.027 169.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.93 -43.28 75.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.982 1.313 . . . . 74.13 111.576 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 14.5 pt-20 -67.15 -30.23 70.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 120.832 0.348 . . . . 64.32 110.606 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.76 -9.08 59.06 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.77 0.828 . . . . 74.11 111.531 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.59 21.25 9.49 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.337 1.455 . . . . 73.44 111.528 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.82 101.83 13.5 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.849 -0.797 . . . . 70.45 108.849 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' HA2' ' HE2' ' A' ' 27' ' ' MET . . . -63.45 -35.07 91.56 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 114.856 -1.065 . . . . 74.03 113.083 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -54.16 -41.13 68.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.591 0.756 . . . . 70.32 111.935 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.81 -37.58 67.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.966 0.906 . . . . 74.34 110.854 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.425 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 50.7 mtm -65.47 -41.11 93.72 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.557 0.536 . . . . 63.31 110.764 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.89 96.74 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.96 0.787 . . . . 72.22 111.474 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -56.45 -44.86 80.89 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.236 0.614 . . . . 74.32 110.408 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.94 73.09 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.235 0.959 . . . . 64.5 111.692 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.14 -46.34 87.67 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.136 0.974 . . . . 74.23 111.446 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -56.16 -47.13 78.82 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.271 0.982 . . . . 73.42 110.322 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -69.0 -37.46 78.72 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.602 -1.181 . . . . 73.13 110.898 -173.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.0 -37.34 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.978 0.911 . . . . 75.2 110.007 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.94 -37.29 94.68 Favored Glycine 0 C--N 1.343 0.944 0 O-C-N 123.891 0.744 . . . . 71.55 112.37 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.93 -37.61 87.7 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.984 0.514 . . . . 63.3 110.299 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.1 -36.25 66.74 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.763 -0.653 . . . . 71.13 110.908 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.706 ' HZ1' ' HE2' ' A' ' 50' ' ' TYR . 33.0 mmtp -66.86 -42.4 85.75 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.949 0.499 . . . . 72.02 110.028 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.89 -45.15 95.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.041 0.936 . . . . 75.23 110.131 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -76.33 -22.05 55.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.492 0.717 . . . . 72.52 112.004 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.4 mtp -80.98 2.42 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.429 0.691 . . . . 74.52 111.639 173.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.77 78.34 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 122.794 0.235 . . . . 73.21 112.802 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -85.19 58.26 4.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.593 1.157 . . . . 75.24 110.247 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' A' ' 80' ' ' LYS . 46.8 t -71.05 -30.34 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.691 0.796 . . . . 73.35 111.186 -173.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.0 -40.58 71.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.112 0.565 . . . . 73.43 109.941 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.25 -43.0 99.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.598 0.759 . . . . 74.13 109.907 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.6 91.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.042 0.937 . . . . 73.21 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.1 mt -53.63 -50.94 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.301 1.04 . . . . 73.21 109.983 175.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.52 -35.05 75.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.624 0.769 . . . . 64.31 111.463 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.706 ' HE2' ' HZ1' ' A' ' 38' ' ' LYS . 41.0 m-85 -69.37 -40.64 77.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.957 0.503 . . . . 70.23 111.478 175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.53 -29.99 65.39 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.381 0.426 . . . . 73.41 110.405 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 81.9 mt -70.26 -46.36 64.54 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.832 0.853 . . . . 72.13 109.638 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 57' ' ' VAL . 82.3 mtp180 -63.72 -48.59 76.44 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 124.082 0.864 . . . . 62.52 109.651 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.55 72.43 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.971 0.908 . . . . 72.13 110.821 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.92 -42.39 90.18 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.141 -0.936 . . . . 73.15 110.499 -177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -61.81 -37.2 83.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.949 0.9 . . . . 72.5 110.906 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 53' ' ' ARG . 94.7 t -71.89 -40.18 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.291 -0.868 . . . . 65.11 110.051 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -64.16 -33.03 74.85 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.462 0.705 . . . . 74.15 110.888 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -66.73 -40.68 88.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.879 0.872 . . . . 74.44 109.323 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -27.36 64.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.363 -0.835 . . . . 74.55 111.364 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -80.31 -11.8 59.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.714 0.806 . . . . 73.24 111.048 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 64.09 24.98 13.65 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.036 0.934 . . . . 63.24 110.838 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.38 100.82 12.54 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.902 1.281 . . . . 73.2 108.587 175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 t -73.37 -31.28 63.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.349 -0.842 . . . . 75.04 110.654 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.0 -50.66 72.88 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.244 1.018 . . . . 74.43 111.014 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.93 -36.15 61.21 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 115.374 -0.83 . . . . 70.21 112.568 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.52 94.06 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.962 0.448 . . . . 72.41 111.198 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -74.03 -32.08 63.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.552 1.141 . . . . 74.2 111.448 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttp-105 -68.42 -38.34 81.14 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 73.32 110.257 176.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.51 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.226 -0.897 . . . . 71.0 110.22 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.9 74.37 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.952 0.901 . . . . 73.31 111.505 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.39 -44.74 78.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.352 0.661 . . . . 75.24 110.019 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 t -68.26 -33.93 75.26 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.412 -0.813 . . . . 63.35 110.355 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.4 -38.58 91.71 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.599 -0.728 . . . . 75.2 111.034 172.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.457 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 26.0 t -61.08 -37.27 82.09 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.132 0.573 . . . . 75.4 110.057 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.62 -40.29 61.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.67 0.788 . . . . 75.22 111.0 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.66 88.05 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.559 0.744 . . . . 72.01 111.531 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.889 0.476 . . . . 74.11 110.8 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 75' ' ' SER . 74.9 mt-30 -59.47 -36.38 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.34 0.59 . . . . 74.14 111.016 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' HB2' HG11 ' A' ' 44' ' ' VAL . 93.4 mttt -82.67 -6.62 59.47 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.607 -1.179 . . . . 72.45 111.831 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.1 t . . . . . 0 CA--C 1.549 0.934 0 C-N-CA 123.831 0.853 . . . . 73.12 109.456 -177.327 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 N--CA 1.496 1.646 0 N-CA-C 115.794 1.421 . . . . 75.45 115.794 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.562 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 t70 -69.81 -23.3 63.3 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.286 0.476 . . . . 74.31 112.286 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.19 -36.88 61.38 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.051 0.54 . . . . 75.41 109.689 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.586 -0.734 . . . . 64.43 109.714 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 5' ' ' ASP . 80.1 mt -60.7 -42.23 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.547 1.139 . . . . 74.34 111.589 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -31.59 67.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.263 0.625 . . . . 74.22 111.229 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -75.17 -44.15 48.36 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.057 0.943 . . . . 72.14 110.72 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.65 -24.88 64.59 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.633 0.773 . . . . 75.45 111.612 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -41.74 47.69 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.839 1.255 . . . . 71.3 108.284 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -68.95 -32.39 71.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.557 -0.747 . . . . 74.43 110.307 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.12 61.3 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.024 0.929 . . . . 75.31 110.71 175.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.59 -46.39 63.54 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.981 0.912 . . . . 75.31 110.056 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.4 mmtm -65.47 -35.36 80.68 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.196 0.935 . . . . 73.4 111.196 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -67.15 -46.5 73.87 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.075 0.95 . . . . 74.35 109.77 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.36 75.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.605 1.162 . . . . 74.11 111.256 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.18 -35.76 66.45 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.872 1.269 . . . . 74.41 109.464 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 44.0 mm-40 -63.25 -38.27 90.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.15 0.58 . . . . 71.11 110.706 174.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.65 -15.24 59.32 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.063 -0.971 . . . . 74.21 111.34 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.85 24.5 14.6 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.996 1.318 . . . . 64.41 110.464 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -96.87 99.85 11.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.905 . . . . 74.44 109.397 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.84 -22.63 78.69 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 115.148 -0.933 . . . . 64.21 114.728 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.32 -47.45 86.0 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.241 -0.651 . . . . 74.25 109.241 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.46 -45.27 93.82 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.712 -1.131 . . . . 74.35 110.894 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -62.43 -40.58 97.03 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.545 0.738 . . . . 74.14 111.816 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.62 75.49 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.234 -0.894 . . . . 54.03 111.36 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.19 -31.73 73.05 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.611 0.765 . . . . 71.54 110.691 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.31 66.32 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.612 0.765 . . . . 62.44 110.27 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.27 -33.41 75.26 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.004 0.922 . . . . 74.14 111.621 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 45.8 t80 -65.84 -45.05 83.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.493 0.717 . . . . 73.02 109.079 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 93.9 m-20 -66.13 -45.33 81.44 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.98 0.8 . . . . 75.24 111.006 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 90.4 mt -56.2 -41.67 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.338 0.655 . . . . 74.23 109.75 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.32 89.04 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.092 0.87 . . . . 64.15 112.717 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 90.0 mt -59.54 -37.32 78.09 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.585 0.754 . . . . 72.52 110.311 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 25.7 mm-40 -66.84 -47.91 70.49 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.029 0.831 . . . . 75.42 110.391 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 72.6 mmtt -57.17 -38.89 74.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.011 0.434 . . . . 74.51 110.563 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -64.6 -46.91 80.65 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.617 1.167 . . . . 74.34 110.149 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -76.65 -16.4 59.56 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.346 0.659 . . . . 71.24 111.983 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 90.4 mtp -74.74 -22.35 58.85 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.972 0.509 . . . . 74.52 110.594 171.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.24 -17.5 40.57 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.127 -0.488 . . . . 70.51 112.248 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -87.66 64.23 7.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.087 0.946 . . . . 75.23 109.954 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.63 -25.25 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 113.72 -1.582 . . . . 71.03 110.828 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -40.82 91.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.788 1.235 . . . . 73.41 110.917 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.69 -38.94 70.51 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.154 0.582 . . . . 64.21 110.148 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -41.65 67.66 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.507 1.123 . . . . 75.04 111.375 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.424 HD13 HG23 ' A' ' 81' ' ' VAL . 84.9 mt -52.28 -54.29 15.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 O-C-N 124.885 1.366 . . . . 70.34 111.27 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.44 -34.08 74.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.47 0.708 . . . . 72.43 111.961 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -73.59 -34.07 64.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.259 0.624 . . . . 71.35 112.393 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.83 -29.26 58.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.598 0.359 . . . . 74.31 110.389 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.31 -44.5 71.64 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.625 0.77 . . . . 73.42 109.296 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 57' ' ' VAL . 66.1 mtt-85 -66.49 -47.93 71.45 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 114.621 -1.172 . . . . 74.45 110.257 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.47 72.22 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.143 0.902 . . . . 72.11 111.206 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.92 -34.79 78.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.373 1.069 . . . . 74.11 111.567 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.53 -39.2 70.88 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.922 0.889 . . . . 73.23 111.021 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 53' ' ' ARG . 50.0 t -69.63 -38.63 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 109.185 -0.672 . . . . 75.23 109.185 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.28 -29.89 69.62 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.712 0.805 . . . . 75.45 111.697 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.82 -40.18 83.83 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.114 -0.698 . . . . 62.11 109.114 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.64 90.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.316 0.647 . . . . 65.52 110.644 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 12.1 mm-40 -76.93 -16.3 59.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.671 -0.695 . . . . 74.53 111.977 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 m80 60.81 26.74 16.56 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.571 1.149 . . . . 75.22 110.177 -173.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.67 101.22 10.69 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.315 1.046 . . . . 63.13 108.711 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 t -66.95 -29.63 69.54 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.313 -0.858 . . . . 65.01 112.114 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.5 -59.41 5.28 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.229 0.612 . . . . 62.43 110.695 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.23 -32.27 65.59 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 124.236 0.96 . . . . 64.34 113.416 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.49 97.35 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.54 0.336 . . . . 74.2 110.451 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -73.06 -30.52 63.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.441 0.697 . . . . 71.21 111.246 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -60.24 -48.61 81.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.582 0.753 . . . . 74.31 110.445 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.46 -34.42 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 114.926 -1.034 . . . . 73.52 110.638 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.66 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.56 0.744 . . . . 65.11 111.678 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -67.09 -48.45 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.418 1.087 . . . . 72.32 109.271 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -68.69 -29.93 68.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.294 -0.866 . . . . 74.11 110.879 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.44 -45.48 87.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.916 0.886 . . . . 74.11 110.743 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 t -59.63 -39.33 83.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.632 0.373 . . . . 74.45 110.326 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.03 -37.8 75.7 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.97 0.508 . . . . 63.43 110.128 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.57 81.2 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.929 0.892 . . . . 75.34 111.226 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.262 0.625 . . . . 75.42 111.745 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -68.91 -28.32 66.56 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.676 0.39 . . . . 72.32 110.981 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.43 -44.8 16.97 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.273 0.629 . . . . 73.24 110.865 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.424 HG23 HD13 ' A' ' 48' ' ' ILE . 69.3 t . . . . . 0 N--CA 1.482 1.138 0 C-N-CA 124.116 0.966 . . . . 71.32 110.53 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.45 ' O ' HG13 ' A' ' 8' ' ' ILE . 9.9 Cg_endo . . . . . 0 N--CA 1.487 1.128 0 N-CA-C 112.642 0.208 . . . . 73.34 112.642 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 8' ' ' ILE . 34.6 t70 -58.69 -43.61 90.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.361 1.064 . . . . 72.14 111.376 174.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -69.43 -38.18 77.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.254 0.622 . . . . 74.24 111.548 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -66.03 -30.74 71.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.816 0.447 . . . . 71.12 111.479 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.8 mt -52.96 -43.43 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 124.341 1.056 . . . . 72.34 111.161 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.55 74.61 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 124.183 0.927 . . . . 72.05 111.998 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.64 -39.93 88.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.02 0.928 . . . . 75.43 110.66 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.3 -28.45 65.2 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.994 -0.548 . . . . 74.12 110.868 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 52.5 mt-10 -73.97 -33.53 63.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.446 0.698 . . . . 75.3 110.919 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -69.14 -37.29 78.2 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.988 0.423 . . . . 72.24 109.918 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.48 66.53 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.982 -1.008 . . . . 63.33 110.828 174.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.45 -43.87 59.36 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.628 1.171 . . . . 71.43 111.199 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 34.3 mmtp -76.48 -33.21 58.68 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.878 0.471 . . . . 74.42 111.146 -176.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -67.84 -44.71 76.57 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 109.442 -0.577 . . . . 74.32 109.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.26 70.29 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.845 0.858 . . . . 52.12 111.304 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.28 -48.82 79.64 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.857 1.263 . . . . 73.43 111.787 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.19 -19.72 61.04 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.574 0.349 . . . . 73.03 111.306 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.7 -9.39 58.88 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.555 0.742 . . . . 74.3 111.191 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 t30 66.21 19.96 11.09 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.137 1.375 . . . . 73.4 110.822 -176.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -93.1 89.79 6.62 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.904 -0.776 . . . . 74.45 108.904 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.55 -22.61 76.64 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 114.724 -1.125 . . . . 74.02 113.21 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.517 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 7.0 pt-20 -61.73 -43.91 97.94 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 109.749 -0.463 . . . . 75.21 109.749 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.8 -42.89 97.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.092 0.957 . . . . 74.23 110.23 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 mtm -62.93 -36.74 84.42 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.698 0.624 . . . . 74.54 111.713 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.57 -43.75 75.33 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.323 -0.711 . . . . 62.24 111.323 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 24.0 mtt-85 -66.56 -33.6 76.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.392 0.677 . . . . 75.33 109.969 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -51.86 65.51 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.155 0.909 . . . . 75.23 110.207 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.9 mt -64.01 -34.89 79.04 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.891 0.745 . . . . 72.2 111.197 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -62.82 -47.79 81.89 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.537 0.735 . . . . 75.41 109.945 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 91.0 m-20 -67.94 -41.68 82.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.311 0.645 . . . . 75.21 111.092 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.5 mt -58.62 -41.08 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.46 0.704 . . . . 72.12 109.958 174.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.36 97.2 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.289 -0.869 . . . . 60.12 111.937 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.0 mt -64.47 -35.76 81.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.306 0.642 . . . . 74.22 111.048 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' HA ' ' HZ1' ' A' ' 40' ' ' LYS . 17.0 mm-40 -65.58 -43.22 90.43 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.48 0.487 . . . . 75.42 110.457 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HE2' HD11 ' A' ' 8' ' ' ILE . 5.2 mptp? -60.76 -44.2 97.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.875 0.87 . . . . 74.55 110.072 174.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -63.26 -35.59 80.84 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 124.257 0.973 . . . . 73.44 110.721 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.543 ' HZ1' ' HA ' ' A' ' 37' ' ' GLU . 34.5 mtmm -71.75 -30.39 65.55 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.29 0.636 . . . . 74.12 111.295 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.446 ' HE2' ' HD2' ' A' ' 43' ' ' LYS . 77.4 mtm -81.53 -4.11 55.07 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.03 0.532 . . . . 73.34 111.3 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.96 88.06 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 120.064 -0.298 . . . . 72.24 112.977 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HD2' ' HE2' ' A' ' 41' ' ' MET . 92.4 mttt -89.54 62.29 5.87 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.056 1.342 . . . . 74.55 108.799 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 t -72.02 -27.01 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.35 -1.295 . . . . 71.31 112.007 -166.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.649 ' HE3' HG11 ' A' ' 81' ' ' VAL . 10.7 mptt -63.97 -42.16 97.32 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 110.338 -0.245 . . . . 74.21 110.338 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.43 -43.43 94.35 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.81 0.694 . . . . 74.04 110.327 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.9 -44.24 70.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.076 0.951 . . . . 64.21 110.843 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.608 HD13 HG23 ' A' ' 81' ' ' VAL . 96.6 mt -56.41 -48.71 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.898 1.279 . . . . 73.43 111.295 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.37 -47.13 76.25 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.326 1.016 . . . . 72.44 110.326 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 57.2 m-85 -66.3 -39.13 89.13 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.186 0.929 . . . . 75.14 112.364 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.65 -29.61 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.382 0.426 . . . . 75.21 110.922 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.13 -43.02 59.05 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.54 0.736 . . . . 74.4 110.323 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 57' ' ' VAL . 75.6 mtt180 -66.51 -46.96 74.49 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.43 -0.804 . . . . 74.54 109.581 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.02 75.43 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.671 1.232 . . . . 74.1 110.562 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.17 -39.77 91.39 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.499 1.125 . . . . 75.14 111.725 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HB2' ' HZ2' ' A' ' 56' ' ' LYS . 4.1 ttmp? -68.94 -45.76 69.95 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.243 0.617 . . . . 74.42 110.977 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 53' ' ' ARG . 46.8 t -66.99 -32.37 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 C-N-CA 123.519 0.728 . . . . 74.13 110.144 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -67.22 -45.55 76.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.186 0.994 . . . . 72.42 110.244 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.16 -40.27 85.07 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.983 0.913 . . . . 64.44 111.439 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.53 79.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.184 -0.916 . . . . 71.02 111.184 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 12.2 mm-40 -85.75 -7.93 58.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 74.31 112.045 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.2 m80 64.76 24.24 12.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 124.527 1.131 . . . . 71.02 111.283 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.37 70.44 10.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.9 1.28 . . . . 72.13 107.576 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -73.43 -31.66 63.95 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.301 -0.863 . . . . 74.24 112.772 -166.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.77 -32.05 65.35 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.706 0.402 . . . . 74.4 110.772 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.23 86.16 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.441 -0.663 . . . . 71.01 111.441 172.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.91 83.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.926 0.89 . . . . 54.12 111.116 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -70.6 -34.07 71.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.546 1.539 . . . . 73.11 110.948 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -75.5 -35.1 60.86 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 73.44 109.975 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.71 94.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 115.703 -0.68 . . . . 73.44 109.561 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HA ' HD11 ' A' ' 74' ' ' LEU . . . -72.19 -30.27 64.79 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.265 1.026 . . . . 75.4 111.79 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.59 -37.25 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.423 0.689 . . . . 74.13 110.231 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -71.46 -31.09 66.77 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.485 -0.78 . . . . 73.14 109.452 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 71' ' ' ALA . 14.5 mt -62.79 -52.39 63.38 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.177 0.991 . . . . 72.11 111.302 175.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.7 p -59.52 -38.78 81.87 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.616 0.572 . . . . 71.44 111.46 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HA ' HE21 ' A' ' 79' ' ' GLN . 0.8 OUTLIER -67.78 -34.95 77.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.494 1.118 . . . . 75.01 111.335 174.387 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.61 63.63 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.949 0.9 . . . . 72.5 111.732 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -61.31 -30.86 70.76 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.494 0.718 . . . . 75.35 112.064 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.416 HE21 ' HA ' ' A' ' 76' ' ' GLU . 34.7 mt-30 -60.8 -35.78 77.34 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.414 0.686 . . . . 74.15 110.966 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -74.15 -34.39 63.83 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.008 -0.996 . . . . 74.51 110.411 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.649 HG11 ' HE3' ' A' ' 45' ' ' LYS . 57.2 t . . . . . 0 N--CA 1.485 1.321 0 C-N-CA 124.26 1.024 . . . . 75.43 110.669 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 N--CA 1.491 1.357 0 N-CA-C 113.072 0.374 . . . . 74.02 113.072 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.35 -40.29 85.95 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.22 1.008 . . . . 73.32 112.013 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.37 -33.71 69.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.907 0.883 . . . . 72.24 110.739 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.4 -42.23 92.82 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.519 -0.764 . . . . 74.54 111.09 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.52 -48.12 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.732 0.813 . . . . 74.34 110.612 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.64 68.52 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.347 0.659 . . . . 74.21 111.843 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -74.99 -37.61 61.82 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.165 0.986 . . . . 71.14 111.342 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.48 -29.78 66.4 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.489 0.315 . . . . 75.45 110.679 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.54 -34.68 70.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.542 0.737 . . . . 72.14 111.051 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -71.81 -39.55 69.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.185 0.594 . . . . 71.03 110.254 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.27 -27.74 60.88 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.257 -0.883 . . . . 74.22 111.101 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -58.45 -49.47 77.21 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.549 1.14 . . . . 72.01 111.184 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -30.9 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.826 . . . . 64.31 112.087 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -61.52 -43.59 98.59 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.099 0.56 . . . . 74.05 110.155 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.69 65.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.423 -0.808 . . . . 64.13 111.52 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.87 -41.66 78.07 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.007 0.923 . . . . 73.53 111.578 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.05 -27.72 61.06 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.506 -0.77 . . . . 74.12 111.013 -178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -85.75 -4.74 59.24 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.736 0.814 . . . . 74.44 111.096 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER 65.19 21.44 12.11 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.095 1.358 . . . . 60.33 111.58 177.495 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.533 ' HB3' HD11 ' A' ' 26' ' ' LEU . 77.0 mt-30 -82.86 79.51 9.21 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.402 1.081 . . . . 74.11 108.66 175.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.77 -29.6 75.72 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.226 -0.897 . . . . 74.23 113.108 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.83 -44.66 82.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.222 1.009 . . . . 75.32 111.295 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 23' ' ' GLN . 6.4 mp -75.56 -28.04 58.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.708 0.803 . . . . 65.01 111.611 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.1 mtm -68.27 -37.61 80.9 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.171 0.589 . . . . 72.11 110.733 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.83 -40.98 89.39 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-N 115.529 -0.759 . . . . 73.01 111.273 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.23 -38.47 83.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.045 0.938 . . . . 75.21 110.568 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.29 58.04 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 122.925 0.49 . . . . 61.24 111.191 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.66 -33.18 75.08 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.844 0.715 . . . . 73.13 111.392 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -63.13 -49.0 76.14 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.384 0.674 . . . . 73.14 110.149 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.7 m-20 -66.99 -33.23 75.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.153 -0.931 . . . . 61.23 111.52 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.26 -43.76 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.318 0.647 . . . . 71.23 109.775 172.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.68 -36.86 93.86 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 124.027 0.829 . . . . 54.2 112.319 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.2 mt -62.1 -45.61 92.72 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.456 0.702 . . . . 73.34 109.801 174.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 8.8 mm-40 -65.34 -36.89 85.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.684 0.615 . . . . 71.43 111.797 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -63.44 -44.04 95.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.919 0.487 . . . . 74.21 110.212 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.59 -40.87 96.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.023 0.929 . . . . 73.31 110.123 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 74.0 mmtt -61.47 -39.74 91.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.754 0.822 . . . . 72.42 111.361 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -84.4 -3.57 58.4 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.483 -0.781 . . . . 71.01 111.704 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.39 7.23 86.81 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.724 -0.486 . . . . 74.02 113.829 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -84.89 66.2 9.58 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 107.551 -1.277 . . . . 75.35 107.551 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 80' ' ' LYS . 47.6 t -74.11 -26.98 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 114.807 -1.088 . . . . 74.22 112.148 -167.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -68.89 -44.15 73.81 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.908 -0.405 . . . . 73.3 109.908 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.55 -28.66 67.16 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 123.804 0.69 . . . . 75.5 110.652 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.39 81.85 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.852 0.72 . . . . 60.04 110.515 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.57 -48.91 82.12 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 124.819 1.324 . . . . 72.42 111.256 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.19 -44.0 87.82 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.986 0.803 . . . . 74.45 110.679 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.35 -32.27 64.43 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.808 0.67 . . . . 75.51 112.808 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -69.49 -32.03 70.66 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 118.011 0.369 . . . . 75.4 110.786 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.9 -45.25 61.91 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 124.126 0.891 . . . . 72.11 109.513 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' O ' HG21 ' A' ' 57' ' ' VAL . 96.1 mtt180 -63.65 -43.57 96.39 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.12 0.887 . . . . 74.3 110.381 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.54 81.3 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 123.815 0.697 . . . . 72.33 111.197 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.81 1.318 . . . . 64.51 110.556 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.96 -41.88 98.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.592 1.157 . . . . 74.44 110.916 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 53' ' ' ARG . 41.1 t -73.85 -37.21 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.682 -0.69 . . . . 71.22 110.262 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -59.83 -36.91 77.79 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.353 0.661 . . . . 64.01 111.67 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.92 -39.22 93.18 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.126 0.57 . . . . 75.22 110.584 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.18 76.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.786 0.834 . . . . 75.01 110.968 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -76.04 -14.23 60.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.59 0.756 . . . . 75.44 111.578 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 67.41 21.17 9.77 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.891 1.276 . . . . 74.54 111.582 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.77 81.93 6.89 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.881 -1.155 . . . . 74.54 107.881 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.0 t -67.24 -29.91 69.67 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.349 -1.296 . . . . 73.33 111.229 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.85 -49.48 65.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.876 0.47 . . . . 74.22 110.438 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.61 -36.63 93.38 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.905 -0.589 . . . . 60.11 112.899 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -42.43 91.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.187 0.595 . . . . 72.34 112.384 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 64' ' ' THR . 95.9 mtt180 -65.55 -34.96 79.48 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.706 0.403 . . . . 75.45 110.762 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -70.37 -34.57 72.75 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.828 0.851 . . . . 73.25 110.411 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.02 73.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.393 0.677 . . . . 63.22 110.605 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -73.94 -26.27 60.41 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.189 0.931 . . . . 73.42 111.527 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -43.48 65.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.988 -0.745 . . . . 70.54 108.988 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 m -67.14 -30.23 70.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.586 0.754 . . . . 73.24 111.637 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 71' ' ' ALA . 16.3 mt -60.67 -45.37 94.42 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.436 0.695 . . . . 75.34 110.698 169.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m -56.88 -36.4 70.06 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.682 0.614 . . . . 75.15 111.616 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 25.8 mm-40 -70.47 -41.62 72.53 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.134 0.896 . . . . 73.3 110.78 176.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.15 82.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.441 0.696 . . . . 75.5 112.078 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -64.5 -23.5 67.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.19 0.596 . . . . 74.14 111.632 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 76' ' ' GLU . 72.8 mt-30 -60.62 -44.0 96.82 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.023 0.529 . . . . 64.3 111.314 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.578 ' HB2' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -79.81 -35.23 38.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.618 0.367 . . . . 75.13 111.118 -178.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 123.719 0.808 . . . . 74.01 111.504 -175.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.446 ' O ' HG13 ' A' ' 8' ' ' ILE . 51.3 Cg_exo . . . . . 0 N--CA 1.486 1.035 0 N-CA-C 114.481 0.916 . . . . 71.3 114.481 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -69.92 -37.56 75.98 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.505 0.722 . . . . 73.14 111.265 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -74.13 -27.11 60.7 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.972 -0.558 . . . . 73.34 109.978 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -72.37 -39.86 67.74 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.397 -0.82 . . . . 72.43 109.626 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 34' ' ' ILE . 75.5 mt -57.76 -47.52 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.142 0.977 . . . . 75.25 109.898 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -59.62 -37.42 78.57 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 124.334 1.021 . . . . 72.14 111.324 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.24 -42.76 88.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.014 0.926 . . . . 73.02 110.968 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.41 -26.16 61.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.875 0.47 . . . . 74.34 110.724 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.19 -28.78 65.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.166 0.986 . . . . 71.54 111.576 176.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 87.6 mttt -68.45 -48.38 64.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.509 -0.552 . . . . 74.33 109.509 173.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.28 -27.94 68.32 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.832 -1.076 . . . . 75.2 111.417 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -70.32 -55.66 8.63 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.942 0.897 . . . . 75.54 110.784 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -77.13 -25.74 52.43 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.412 -0.813 . . . . 75.41 112.095 -173.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -70.81 -41.3 71.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.466 -0.568 . . . . 72.04 109.466 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.49 68.95 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.337 0.398 . . . . 74.44 111.004 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.49 -47.7 77.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.664 0.786 . . . . 61.14 109.625 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -60.62 -39.84 89.7 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 114.205 -1.361 . . . . 74.22 110.347 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.68 -9.64 59.28 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.27 0.628 . . . . 73.02 111.928 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 64.69 26.62 13.14 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.316 1.046 . . . . 62.55 111.451 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.507 ' HB3' HD12 ' A' ' 26' ' ' LEU . 20.9 mm-40 -84.13 91.71 7.74 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.39 1.476 . . . . 75.31 108.606 172.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.11 -52.28 50.96 Favored Glycine 0 C--N 1.342 0.889 0 O-C-N 123.253 0.345 . . . . 75.12 112.855 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.701 ' HG3' HD13 ' A' ' 26' ' ' LEU . 7.1 pt-20 -53.12 -40.63 64.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.459 1.103 . . . . 72.12 112.292 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' A' ' 25' ' ' GLU . 4.7 mp -69.08 -32.39 71.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.904 0.481 . . . . 75.3 111.831 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.3 mtm -67.36 -41.35 85.24 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 123.305 0.378 . . . . 74.51 110.725 172.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.99 -37.61 94.15 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 115.595 -0.73 . . . . 54.21 112.308 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 40.3 mtm180 -59.33 -47.45 85.35 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.203 0.601 . . . . 74.22 109.826 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.19 -46.71 85.32 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.665 1.228 . . . . 54.41 111.157 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 53' ' ' ARG . 70.4 mt -62.7 -42.55 99.7 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.88 0.738 . . . . 72.11 111.269 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.23 -43.84 98.23 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.041 0.937 . . . . 74.51 110.707 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -39.17 64.09 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.716 0.807 . . . . 75.31 111.415 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 8' ' ' ILE . 96.8 mt -63.16 -35.54 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.526 0.73 . . . . 74.4 109.659 172.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.11 99.07 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.301 -0.863 . . . . 71.4 112.019 172.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.25 -33.16 75.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.27 0.628 . . . . 73.03 110.945 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -68.35 -40.86 81.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.918 0.487 . . . . 72.23 110.841 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.08 -39.64 90.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.019 0.528 . . . . 73.43 110.319 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -64.68 -40.71 95.87 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.904 1.281 . . . . 74.25 111.06 -174.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.4 -21.67 58.06 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.917 0.487 . . . . 74.44 111.999 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.541 ' HE2' ' HD2' ' A' ' 43' ' ' LYS . 71.3 mtm -89.21 -2.07 58.34 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.053 0.541 . . . . 72.4 112.193 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 2.92 88.95 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-O 120.225 -0.209 . . . . 52.25 112.79 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HD2' ' HE2' ' A' ' 41' ' ' MET . 93.6 mttt -92.63 50.91 1.65 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.059 -1.089 . . . . 75.02 108.059 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG13 ' HB2' ' A' ' 80' ' ' LYS . 21.7 t -71.19 -21.99 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 113.716 -1.584 . . . . 73.33 110.439 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.568 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 3.1 mptp? -62.59 -36.98 84.45 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.059 -1.428 . . . . 71.34 110.01 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.47 -38.92 39.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.923 0.889 . . . . 74.01 110.154 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.22 -40.11 70.46 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 124.377 1.071 . . . . 63.34 112.63 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.83 -52.91 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.446 1.091 . . . . 65.31 110.502 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.34 -36.6 80.61 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.128 0.892 . . . . 73.2 111.347 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -68.33 -38.71 81.79 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.144 0.577 . . . . 70.22 111.809 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.91 -28.6 62.56 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.825 0.45 . . . . 74.53 110.365 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.77 -45.04 68.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.603 0.761 . . . . 62.01 110.038 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.455 ' O ' HG21 ' A' ' 57' ' ' VAL . 81.0 mtp180 -64.55 -49.14 72.4 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.291 -0.868 . . . . 75.22 109.752 175.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.66 -49.48 72.79 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.456 1.098 . . . . 72.01 111.434 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.51 -36.59 84.7 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.176 0.922 . . . . 75.22 110.904 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -66.08 -39.6 90.17 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.664 0.603 . . . . 75.0 111.029 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 53' ' ' ARG . 93.0 t -69.3 -47.73 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.75 -0.659 . . . . 65.33 109.723 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -61.47 -29.51 70.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.799 0.84 . . . . 72.52 111.895 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -43.75 78.35 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.672 0.789 . . . . 73.33 110.082 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.54 80.32 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.869 -0.605 . . . . 75.44 111.517 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.5 -13.7 59.85 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.61 0.764 . . . . 74.42 111.077 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m80 60.09 29.72 19.26 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.349 1.059 . . . . 71.14 111.15 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.3 102.36 11.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.335 1.054 . . . . 71.2 108.361 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -65.17 -42.4 93.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.585 0.754 . . . . 74.01 112.668 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -65.59 -48.17 73.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.869 0.468 . . . . 73.21 111.762 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.53 85.98 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.649 0.593 . . . . 75.43 112.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.5 98.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.445 0.698 . . . . 75.12 111.657 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -68.71 -41.42 79.13 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.614 -0.721 . . . . 73.33 110.761 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -70.7 -31.23 68.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 111.636 0.235 . . . . 73.34 111.636 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.25 92.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.716 0.406 . . . . 72.11 110.007 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.14 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.562 0.745 . . . . 75.2 112.322 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.7 -40.11 56.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.974 0.51 . . . . 71.42 109.697 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.6 m -67.75 -30.58 70.08 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.262 -0.881 . . . . 74.32 110.419 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.85 -43.08 94.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.755 0.822 . . . . 70.3 111.137 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -57.55 -41.98 82.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.47 0.708 . . . . 72.15 110.543 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.35 -37.23 66.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.425 0.69 . . . . 72.41 110.884 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.39 96.08 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.812 0.845 . . . . 65.03 111.751 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -67.46 -24.61 65.64 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.103 0.961 . . . . 75.52 111.181 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -77.99 -30.81 50.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.923 0.489 . . . . 73.43 110.867 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.419 ' HB2' HG13 ' A' ' 44' ' ' VAL . 60.7 mttm -78.89 -24.36 44.25 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.237 0.615 . . . . 74.51 111.141 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 123.888 0.875 . . . . 73.41 109.68 177.735 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.494 1.508 0 N-CA-C 113.726 0.625 . . . . 73.3 113.726 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.676 ' HA ' HD12 ' A' ' 8' ' ' ILE . 31.1 t70 -60.61 -33.38 72.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.926 0.89 . . . . 73.31 111.968 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.33 -39.57 74.67 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 72.4 110.602 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -63.43 -36.47 83.85 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.96 0.504 . . . . 64.52 110.652 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -60.04 -43.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.222 1.009 . . . . 73.04 111.339 177.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.24 71.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.045 0.538 . . . . 73.2 111.069 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.17 -41.6 76.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.454 0.701 . . . . 74.32 110.795 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -73.12 -26.98 61.43 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.895 0.478 . . . . 75.44 111.518 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.46 -33.56 60.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.164 0.585 . . . . 75.53 110.178 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -71.11 -36.13 72.05 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.089 0.556 . . . . 72.51 109.589 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.43 -31.35 65.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.706 0.802 . . . . 62.21 110.614 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -39.43 77.4 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.723 1.209 . . . . 74.12 110.743 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mmtm -66.92 -46.2 75.55 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.573 -0.739 . . . . 74.13 110.122 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 58.8 tptt -59.33 -44.95 92.55 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.1 0.875 . . . . 75.42 109.84 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.5 75.65 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.685 1.194 . . . . 64.1 111.792 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.72 -40.22 84.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.317 1.047 . . . . 75.33 110.137 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 65.1 mt-10 -64.62 -34.8 79.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.646 0.778 . . . . 61.53 110.996 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 82.4 mt -80.5 -11.73 59.63 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.544 0.737 . . . . 74.53 111.251 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.24 29.27 13.86 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.761 1.224 . . . . 74.42 110.142 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -105.41 94.13 5.05 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.225 1.01 . . . . 71.14 108.702 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' HE2' ' A' ' 27' ' ' MET . . . -63.21 -34.1 89.05 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.835 -1.075 . . . . 71.4 113.822 -174.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.13 -33.64 69.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.132 0.573 . . . . 73.54 110.84 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.67 -37.59 62.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.73 0.812 . . . . 74.1 111.066 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.439 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 47.7 mtm -66.85 -54.85 18.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.228 0.611 . . . . 74.02 110.945 -176.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.3 -38.09 94.08 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.424 -0.807 . . . . 62.25 112.275 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -63.57 -38.8 92.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.321 0.648 . . . . 62.24 110.3 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.19 88.9 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 123.704 0.802 . . . . 72.32 110.834 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 94.9 mt -64.25 -37.22 86.7 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.991 0.807 . . . . 72.04 110.78 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.403 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.7 t80 -62.83 -40.64 98.03 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.647 0.779 . . . . 75.54 109.918 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -64.01 -43.78 94.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.208 0.603 . . . . 73.12 111.167 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -38.17 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 63.02 110.28 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 -36.91 93.67 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 115.306 -0.861 . . . . 64.43 112.263 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 93.3 mt -69.14 -32.81 72.43 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.608 0.763 . . . . 73.44 110.878 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.57 -37.21 68.27 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.054 0.454 . . . . 75.24 110.892 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HE2' HD11 ' A' ' 8' ' ' ILE . 6.1 mptp? -66.47 -39.62 88.9 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.456 0.702 . . . . 75.33 109.901 173.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -61.92 -44.74 96.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.475 1.11 . . . . 65.23 110.757 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.07 -17.68 61.39 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.731 0.412 . . . . 75.51 111.966 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.482 ' HB3' ' HZ1' ' A' ' 43' ' ' LYS . 74.8 mtm -90.07 -6.04 55.92 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.129 0.572 . . . . 75.32 111.783 174.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 6.08 89.56 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 116.598 -0.274 . . . . 54.44 113.121 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HZ1' ' HB3' ' A' ' 41' ' ' MET . 56.8 mttp -85.77 60.6 6.33 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.868 0.842 . . . . 65.54 109.021 176.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.6 -26.72 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.459 -1.246 . . . . 74.43 110.484 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -49.73 -55.88 12.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.705 1.202 . . . . 72.34 111.11 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 36.6 mt-10 -75.62 -37.34 59.83 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.744 -1.116 . . . . 74.5 111.113 -177.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.52 69.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.801 0.84 . . . . 75.02 110.877 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.458 HD13 HG23 ' A' ' 81' ' ' VAL . 79.0 mt -55.07 -51.21 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 124.563 1.164 . . . . 74.31 111.51 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.97 -43.86 73.86 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 124.072 0.858 . . . . 74.45 110.686 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 67.4 m-85 -69.23 -39.67 78.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.315 -0.857 . . . . 72.51 112.031 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -69.74 -28.66 65.98 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.413 0.446 . . . . 74.1 111.125 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.02 -45.93 54.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.429 0.691 . . . . 73.43 110.028 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' O ' HG22 ' A' ' 57' ' ' VAL . 99.0 mtt180 -67.9 -36.67 80.61 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.072 -0.967 . . . . 75.24 110.532 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.92 -50.81 69.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 75.32 110.398 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -59.13 -42.55 90.9 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 124.909 1.381 . . . . 73.22 110.788 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -57.87 -39.55 78.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.435 1.094 . . . . 74.13 110.877 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 53' ' ' ARG . 40.8 t -75.94 -37.12 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.521 -0.763 . . . . 74.34 110.629 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -65.58 -28.15 68.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.725 0.41 . . . . 74.53 111.074 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -67.86 -38.19 82.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.347 0.659 . . . . 71.3 110.29 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -32.4 67.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.033 0.933 . . . . 62.32 111.424 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -78.58 -13.99 59.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.062 0.945 . . . . 75.3 111.405 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.6 m170 67.54 20.07 9.81 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.969 1.307 . . . . 70.4 111.84 -175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -83.26 82.62 8.19 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 108.584 -0.895 . . . . 74.14 108.584 168.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -65.49 -27.65 68.64 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.35 -0.386 . . . . 74.41 110.452 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.96 -49.85 68.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.014 0.926 . . . . 75.54 110.489 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.47 Favored Glycine 0 C--N 1.347 1.177 0 CA-C-N 115.414 -0.812 . . . . 74.5 112.986 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.09 71.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.022 0.929 . . . . 61.22 111.269 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -72.37 -30.63 64.87 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.792 0.837 . . . . 75.13 110.331 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -66.05 -42.64 89.24 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.716 0.806 . . . . 74.13 110.349 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.68 87.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.746 -0.661 . . . . 55.41 110.478 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HA ' HD11 ' A' ' 74' ' ' LEU . . . -69.67 -27.91 65.43 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.784 0.834 . . . . 73.51 111.643 176.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -70.81 -44.57 66.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.403 0.681 . . . . 72.33 110.172 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -61.53 -34.75 76.07 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.261 0.624 . . . . 74.54 110.951 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 71' ' ' ALA . 49.6 mt -64.47 -44.49 90.91 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.127 0.971 . . . . 75.34 111.211 171.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.4 t -61.29 -33.94 74.39 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.894 0.878 . . . . 72.02 111.336 -177.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.07 -38.31 57.21 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.608 0.763 . . . . 74.43 110.487 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.48 65.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.123 0.969 . . . . 74.51 112.281 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -60.49 -30.85 69.96 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.403 1.081 . . . . 74.34 112.655 -175.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -60.92 -42.11 97.46 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.607 0.763 . . . . 70.21 110.234 176.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -76.24 -28.35 57.1 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.585 1.154 . . . . 72.24 111.788 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.458 HG23 HD13 ' A' ' 48' ' ' ILE . 64.5 t . . . . . 0 N--CA 1.486 1.343 0 C-N-CA 123.58 0.752 . . . . 75.52 110.706 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.451 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 54.3 Cg_exo . . . . . 0 N--CA 1.498 1.753 0 N-CA-C 114.896 1.075 . . . . 62.31 114.896 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.533 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.8 m-20 -73.59 -24.41 60.06 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.655 0.382 . . . . 73.23 111.738 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.87 -39.38 72.92 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.569 0.748 . . . . 72.12 109.63 171.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -64.72 -35.58 81.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.514 0.725 . . . . 74.4 109.78 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 5' ' ' ASP . 96.0 mt -61.61 -46.26 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.198 0.999 . . . . 73.11 110.865 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.34 66.08 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.733 0.646 . . . . 71.14 111.192 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.48 -39.12 54.07 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.03 0.932 . . . . 75.43 110.937 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -65.78 -32.34 73.81 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.359 0.664 . . . . 62.35 111.081 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 15' ' ' TYR . 65.1 mt-10 -67.54 -28.04 67.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.681 0.792 . . . . 61.33 111.075 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.2 -48.07 74.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.0 0.52 . . . . 73.44 109.92 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.61 75.55 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.296 -0.865 . . . . 73.41 110.806 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.452 ' HB3' ' HA ' ' A' ' 12' ' ' GLU . 46.9 t80 -69.83 -40.75 75.68 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.194 0.998 . . . . 75.21 112.098 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.3 mmmm -72.48 -30.35 64.46 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 117.616 0.189 . . . . 75.02 110.541 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -32.24 64.08 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 109.087 -0.709 . . . . 75.13 109.087 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.24 80.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.833 0.853 . . . . 65.13 110.796 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.1 -37.37 58.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.928 1.291 . . . . 73.54 111.639 -171.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.18 -33.64 76.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.974 0.416 . . . . 72.15 110.625 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -89.51 -11.19 43.62 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.732 0.813 . . . . 74.34 110.818 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 66.42 22.04 10.78 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.007 1.723 . . . . 61.53 111.959 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -79.98 99.36 7.59 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 109.192 -0.67 . . . . 72.33 109.192 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.91 -27.17 73.27 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 114.773 -1.103 . . . . 65.41 114.199 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.61 -37.97 74.15 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.693 0.397 . . . . 73.51 110.206 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.42 -48.05 24.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.456 1.102 . . . . 73.45 110.859 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 46.4 mtm -64.37 -38.12 89.92 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.753 0.658 . . . . 72.4 112.043 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.14 97.95 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.915 0.76 . . . . 74.25 111.906 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.81 -41.23 99.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.488 0.715 . . . . 74.24 110.409 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.1 -52.32 63.12 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.547 0.739 . . . . 54.14 111.152 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 85.3 mt -66.07 -31.34 72.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 70.01 111.143 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.7 -46.94 83.19 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.749 0.819 . . . . 72.41 110.119 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 55.4 m-80 -70.25 -34.67 73.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.945 0.498 . . . . 70.51 111.989 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.68 -43.57 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 109.017 -0.735 . . . . 73.15 109.017 173.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.48 -45.62 95.25 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 114.843 -1.071 . . . . 62.04 112.321 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.54 -36.31 73.66 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.817 0.847 . . . . 75.44 111.782 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 20.4 mm-40 -65.21 -48.52 73.1 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.694 0.621 . . . . 71.34 110.439 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 3.3 mptp? -60.5 -40.96 93.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.733 0.413 . . . . 71.23 110.873 175.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.99 -45.87 90.34 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.443 1.097 . . . . 62.34 111.254 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 60.4 pttt -74.45 -25.67 59.56 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.681 -0.69 . . . . 74.14 111.376 -178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.451 ' SD ' ' HB2' ' A' ' 4' ' ' PRO . 76.3 mtm -76.74 -17.68 58.93 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.018 0.527 . . . . 74.4 111.983 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.86 65.43 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.095 -0.402 . . . . 52.24 112.095 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 85.5 mttt -88.37 52.14 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.207 1.003 . . . . 74.0 108.391 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.1 -23.83 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 114.245 -1.343 . . . . 75.41 111.706 -164.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -55.5 -50.73 69.16 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.386 0.674 . . . . 73.44 110.773 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.544 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 2.5 mp0 -67.0 -37.28 83.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.848 -0.614 . . . . 75.33 110.751 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.9 76.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.057 0.943 . . . . 74.03 111.487 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 81' ' ' VAL . 85.3 mt -52.47 -50.57 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 125.086 1.491 . . . . 75.23 110.919 176.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HA ' HD13 ' A' ' 52' ' ' LEU . 42.5 mt-10 -60.16 -38.36 82.92 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.287 0.992 . . . . 70.42 111.15 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 50.1 m-85 -73.91 -34.03 64.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.327 0.651 . . . . 75.53 112.541 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.24 -28.71 65.47 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 110.137 -0.319 . . . . 73.35 110.137 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 49' ' ' GLU . 83.4 mt -69.57 -43.95 71.83 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.491 0.717 . . . . 74.13 109.752 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 86.7 mtt180 -60.96 -51.39 69.45 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.953 0.783 . . . . 74.31 109.321 174.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.31 76.94 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.569 1.168 . . . . 65.51 111.292 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -62.48 -41.7 98.98 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.31 1.006 . . . . 74.11 111.026 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -63.19 -42.32 99.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.76 0.824 . . . . 74.02 111.373 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 53' ' ' ARG . 96.0 t -72.0 -35.3 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.019 0.528 . . . . 72.52 110.056 -175.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -69.15 -36.11 77.07 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.125 0.57 . . . . 74.12 110.401 171.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.4 -41.68 98.75 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.199 0.6 . . . . 72.44 110.278 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.8 81.75 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.949 -1.023 . . . . 70.54 111.096 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -86.2 -1.95 57.92 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.621 0.768 . . . . 72.33 112.245 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 58.79 25.94 14.12 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.348 1.059 . . . . 74.12 111.737 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -80.47 90.92 5.68 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 107.795 -1.187 . . . . 72.44 107.795 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 9.8 t -59.54 -41.17 89.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.649 -1.16 . . . . 72.13 111.274 -174.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.86 -58.48 7.69 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.697 0.799 . . . . 74.21 110.986 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.15 -30.91 76.3 Favored Glycine 0 C--N 1.343 0.918 0 O-C-N 124.193 0.933 . . . . 73.44 113.611 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.78 93.14 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.349 0.575 . . . . 71.5 110.628 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 64' ' ' THR . 9.4 mpt_? -74.31 -32.28 62.8 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.543 -0.753 . . . . 75.45 110.619 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 -75.17 -33.56 61.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.964 0.905 . . . . 74.13 111.35 -176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.22 73.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.886 0.474 . . . . 64.21 110.034 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.79 -27.82 62.22 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.896 0.748 . . . . 54.23 111.361 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -67.96 -48.23 66.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.476 0.71 . . . . 73.21 109.577 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.3 t -67.29 -29.93 69.65 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.23 -0.895 . . . . 62.12 110.432 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.85 -43.51 98.24 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.713 0.805 . . . . 72.03 111.588 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 49.1 m -61.54 -44.3 97.29 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.486 0.315 . . . . 73.25 110.289 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.32 -31.14 72.21 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.085 0.866 . . . . 73.34 111.03 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.66 -45.75 61.04 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.891 0.876 . . . . 74.01 111.449 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.46 -23.76 65.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.176 0.591 . . . . 73.31 111.699 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 75' ' ' SER . 97.0 mt-30 -60.45 -38.94 85.79 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.407 0.623 . . . . 73.14 110.917 172.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -80.73 -32.62 35.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.015 -0.993 . . . . 72.34 110.856 -173.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.413 HG22 HD13 ' A' ' 48' ' ' ILE . 88.8 t . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 123.755 0.822 . . . . 71.52 110.768 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.189 0.412 . . . . 73.33 111.983 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.89 -38.75 86.87 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.237 1.015 . . . . 74.42 111.06 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.05 -38.7 89.02 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.752 -0.832 . . . . 71.03 108.752 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -62.13 -44.24 97.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.299 1.04 . . . . 64.5 111.159 175.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.466 HG21 HG22 ' A' ' 34' ' ' ILE . 71.1 mt -53.22 -49.64 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.884 0.874 . . . . 74.04 111.054 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.4 73.91 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.971 0.794 . . . . 72.01 111.569 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -69.95 -40.25 75.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.799 0.84 . . . . 75.1 110.781 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -76.12 -25.67 55.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.104 0.961 . . . . 73.53 110.607 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 tm-20 -74.4 -38.48 63.09 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.627 -0.879 . . . . 74.04 108.627 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -64.34 -45.38 88.08 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.464 -0.939 . . . . 74.34 108.464 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.89 70.06 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.566 0.746 . . . . 64.21 110.954 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -68.99 -42.93 75.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 72.23 110.441 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.8 mmmt -68.43 -35.86 78.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.658 0.598 . . . . 74.53 111.193 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -67.68 -43.68 79.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 75.12 109.943 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.83 72.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.321 -1.309 . . . . 71.03 111.32 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.72 -31.03 63.19 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.202 1.401 . . . . 74.14 110.774 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 15.8 mm-40 -68.56 -38.43 80.74 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.3 0.64 . . . . 71.34 110.465 173.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.78 -14.64 57.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.175 -0.92 . . . . 75.14 110.82 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 60.47 22.21 11.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.299 1.44 . . . . 73.03 112.078 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -84.72 110.69 18.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.302 0.641 . . . . 74.43 110.288 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.6 -26.6 69.91 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 124.164 0.915 . . . . 74.13 114.028 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HA ' ' HE1' ' A' ' 58' ' ' PHE . 21.6 tt0 -59.1 -53.82 54.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.606 0.763 . . . . 71.03 109.786 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.62 -43.73 75.75 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.931 -1.031 . . . . 75.43 111.391 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.4 mtm -68.31 -42.3 79.61 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.892 0.477 . . . . 74.42 111.607 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.51 93.42 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-N 115.596 -0.729 . . . . 61.11 112.006 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.6 -36.21 80.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.224 0.609 . . . . 74.14 111.407 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.03 71.1 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.277 0.631 . . . . 74.21 110.921 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.76 -33.56 76.15 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.045 0.841 . . . . 74.55 110.896 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.31 -47.6 78.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.881 0.872 . . . . 72.14 110.462 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 33.2 m-80 -66.33 -40.91 90.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.336 0.654 . . . . 75.02 111.473 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG22 HG21 ' A' ' 8' ' ' ILE . 91.6 mt -58.3 -41.08 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 123.779 0.674 . . . . 74.24 110.178 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.93 -39.51 98.14 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.284 -0.871 . . . . 75.0 112.722 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -39.94 96.1 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.534 0.734 . . . . 62.05 111.021 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 16.8 mm-40 -70.11 -38.0 75.49 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.605 -0.725 . . . . 64.54 110.809 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HE2' HD11 ' A' ' 8' ' ' ILE . 71.2 mmtt -62.13 -44.42 96.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.978 0.418 . . . . 72.43 110.188 172.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -67.95 -35.67 78.8 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.128 -0.942 . . . . 64.54 111.262 -170.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.9 -25.16 59.87 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.249 0.343 . . . . 65.33 111.069 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.514 ' HE1' ' HD2' ' A' ' 43' ' ' LYS . 77.8 mtm -86.28 3.37 43.53 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.425 0.69 . . . . 73.1 112.052 177.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.34 2.14 90.36 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.025 0.203 . . . . 74.12 113.318 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD2' ' HE1' ' A' ' 41' ' ' MET . 59.3 mttm -88.91 53.42 2.69 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.466 1.106 . . . . 72.54 108.735 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.83 -23.72 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 114.464 -1.243 . . . . 74.32 110.15 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.621 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 2.8 mptp? -63.99 -42.84 97.08 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.429 1.092 . . . . 72.35 109.737 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.52 -40.07 61.98 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.87 -1.059 . . . . 70.33 110.152 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.93 79.66 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.319 1.048 . . . . 73.51 111.959 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -53.57 -50.69 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 124.603 1.189 . . . . 61.41 110.441 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.88 -38.62 91.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.82 0.7 . . . . 75.34 110.813 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.78 -37.19 86.78 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.13 0.572 . . . . 73.23 112.334 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -76.03 -28.47 57.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.769 0.427 . . . . 73.24 110.476 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 mt -68.11 -41.7 81.35 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.466 -0.568 . . . . 75.34 109.466 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' O ' HG21 ' A' ' 57' ' ' VAL . 73.4 mtt180 -75.26 -39.12 60.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.159 0.984 . . . . 74.15 110.326 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.86 75.49 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.742 0.651 . . . . 75.14 109.993 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 70' ' ' ALA . 54.7 tttp -59.68 -45.77 91.06 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.433 1.083 . . . . 72.13 110.084 175.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.85 -39.27 71.22 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.562 1.163 . . . . 74.24 112.134 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 53' ' ' ARG . 49.6 t -64.02 -55.99 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 109.211 -0.663 . . . . 75.31 109.211 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' HE1' ' HA ' ' A' ' 25' ' ' GLU . 61.3 m-85 -63.15 -30.45 71.6 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.398 0.679 . . . . 75.2 112.205 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.34 -36.57 58.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.072 0.949 . . . . 75.15 109.444 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.28 -30.54 57.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.451 -0.795 . . . . 72.13 111.026 175.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 16.9 mm-40 -78.23 -14.11 59.58 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.142 0.577 . . . . 73.13 110.578 172.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.8 m80 62.36 30.04 17.34 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.011 1.324 . . . . 75.01 111.991 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.58 93.99 6.82 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.065 -1.457 . . . . 62.23 107.065 164.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 5.8 t -63.99 -36.96 85.69 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.945 -1.025 . . . . 75.31 111.766 -172.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 15.3 m-20 -66.17 -41.59 90.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.139 0.576 . . . . 75.04 111.08 -176.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.39 -40.23 87.07 Favored Glycine 0 C--N 1.344 0.976 0 O-C-N 123.772 0.67 . . . . 72.14 112.471 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.84 79.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.965 -0.618 . . . . 74.42 110.432 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 64' ' ' THR . 79.7 mtp180 -70.91 -32.42 69.36 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.084 0.954 . . . . 74.52 111.707 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 68.6 mtt-85 -57.25 -54.03 51.44 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 109.213 -0.662 . . . . 75.24 109.213 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 55' ' ' LYS . . . -75.98 -33.82 59.75 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.061 -1.427 . . . . 72.1 111.954 -174.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -35.99 63.5 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 122.759 0.424 . . . . 74.11 111.352 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -65.26 -45.73 83.37 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.224 -0.658 . . . . 71.22 109.224 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 t -66.01 -28.39 68.84 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.648 -1.16 . . . . 72.3 110.871 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.55 -47.19 56.65 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 73.02 110.806 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -57.4 -45.49 84.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.632 0.773 . . . . 72.31 110.878 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.46 -28.28 60.96 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.444 -0.798 . . . . 73.45 111.349 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.47 74.2 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.454 0.701 . . . . 74.33 110.926 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -62.92 -39.1 93.53 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.07 0.548 . . . . 64.34 110.059 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.88 -29.61 67.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.526 0.73 . . . . 75.13 111.9 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.77 -29.04 50.72 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.509 0.723 . . . . 73.44 111.346 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.49 1.537 0 C-N-CA 124.216 1.006 . . . . 74.15 111.649 -176.651 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.491 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo . . . . . 0 N--CA 1.491 1.334 0 N-CA-C 112.764 0.255 . . . . 74.14 112.764 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.635 ' HA ' HD13 ' A' ' 8' ' ' ILE . 37.5 t70 -67.26 -38.1 84.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.737 0.815 . . . . 74.32 111.757 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -69.58 -36.14 76.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.761 0.424 . . . . 73.23 110.706 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -66.56 -36.04 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.037 0.935 . . . . 61.42 110.638 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 5' ' ' ASP . 95.5 mt -53.04 -47.06 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.626 0.771 . . . . 73.21 110.365 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.8 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.357 1.036 . . . . 73.31 112.255 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -69.46 -45.24 69.53 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.666 0.386 . . . . 74.55 110.382 175.229 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -70.41 -25.59 63.3 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.561 0.744 . . . . 72.23 110.898 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.68 -42.33 74.28 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.244 1.018 . . . . 72.43 108.999 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.87 -37.6 84.73 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.072 -0.513 . . . . 74.44 110.354 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.96 67.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.855 -0.611 . . . . 71.33 111.363 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -67.78 -47.17 69.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.943 0.897 . . . . 75.51 109.884 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 29.0 mmmt -64.39 -43.02 95.78 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.35 1.032 . . . . 75.1 111.265 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' A' ' 21' ' ' LEU . 54.6 tptt -57.74 -45.72 85.44 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.158 0.911 . . . . 75.41 110.434 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.64 96.49 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.355 -0.839 . . . . 72.13 111.517 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 2.4 tm-20 -64.91 -40.98 95.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.998 0.919 . . . . 74.03 110.296 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 25.6 mm-40 -68.31 -29.41 68.17 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.635 -0.711 . . . . 74.2 111.155 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD11 ' HE3' ' A' ' 17' ' ' LYS . 94.0 mt -87.2 -9.1 56.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.501 0.72 . . . . 70.32 112.149 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.37 27.53 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.988 1.315 . . . . 75.12 111.942 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -85.77 98.0 10.49 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.503 0.721 . . . . 72.35 109.981 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.48 -46.96 86.88 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 124.122 0.889 . . . . 60.24 112.338 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' HD13 ' A' ' 26' ' ' LEU . 6.7 pt-20 -52.62 -51.66 58.99 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.608 0.763 . . . . 73.41 111.764 -174.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD13 ' HG3' ' A' ' 25' ' ' GLU . 1.4 mp -71.37 -27.65 63.49 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.793 0.437 . . . . 71.15 111.886 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.413 ' SD ' ' HG2' ' A' ' 19' ' ' GLU . 39.0 mtm -69.33 -44.59 71.36 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.23 0.331 . . . . 75.04 110.592 176.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.87 99.6 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.805 0.69 . . . . 74.12 111.509 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.86 -45.01 96.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 75.12 110.322 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.46 -51.88 67.97 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.886 0.875 . . . . 64.43 111.547 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.0 mt -64.41 -34.69 78.76 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.974 0.796 . . . . 72.24 111.332 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.426 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 43.3 t80 -63.0 -49.8 73.23 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 123.748 0.655 . . . . 71.54 109.913 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 68.4 m-80 -65.88 -39.23 90.48 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.798 0.686 . . . . 71.24 111.185 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 8' ' ' ILE . 75.2 mt -60.1 -46.84 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 75.42 109.865 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.35 94.07 Favored Glycine 0 C--N 1.348 1.216 0 O-C-N 124.369 1.043 . . . . 71.14 112.062 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.3 mt -60.99 -43.62 98.58 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.046 0.538 . . . . 74.45 110.315 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 14.0 mm-40 -72.43 -28.07 62.73 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.826 0.704 . . . . 73.43 112.165 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HE3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 mptp? -62.94 -48.02 80.69 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.067 -0.716 . . . . 75.3 109.067 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.15 -29.04 70.19 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.424 -1.262 . . . . 33.12 110.964 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 34.5 mmtp -66.21 -40.0 90.05 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.659 0.784 . . . . 72.1 110.733 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.418 ' HE1' ' HD2' ' A' ' 43' ' ' LYS . 64.8 mtm -81.23 -2.04 47.22 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.223 -0.899 . . . . 75.31 111.285 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.5 4.36 90.08 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 119.823 -0.432 . . . . 74.13 112.656 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD2' ' HE1' ' A' ' 41' ' ' MET . 93.2 mttt -83.23 68.38 9.6 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 122.319 1.056 . . . . 75.21 109.165 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.58 -25.76 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 113.882 -1.508 . . . . 75.43 111.492 -169.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -40.02 80.64 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.037 0.535 . . . . 73.43 110.278 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.99 -41.9 77.21 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.67 0.606 . . . . 72.1 109.681 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.36 69.62 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.365 1.041 . . . . 72.43 111.154 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.8 mt -52.05 -52.05 26.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.946 1.298 . . . . 71.45 110.821 174.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.06 -41.88 88.98 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.921 0.763 . . . . 73.45 111.857 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 63.7 m-85 -71.55 -34.19 69.79 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.793 -0.64 . . . . 75.33 111.656 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.39 -28.43 62.01 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.392 0.433 . . . . 73.21 110.345 176.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.34 -50.09 55.74 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.17 -0.678 . . . . 75.35 109.17 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 57' ' ' VAL . 79.1 mtp180 -63.14 -48.88 76.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.684 -1.144 . . . . 75.24 110.365 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.03 75.49 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.141 0.977 . . . . 74.1 111.536 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.05 -46.47 82.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.57 1.169 . . . . 74.5 110.725 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -65.43 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.348 1.03 . . . . 73.11 111.036 -177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 53' ' ' ARG . 85.7 t -72.18 -36.71 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.907 0.483 . . . . 75.24 110.212 174.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.77 -30.47 69.92 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.605 0.362 . . . . 64.23 110.726 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -70.16 -34.42 72.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.207 0.603 . . . . 72.25 110.179 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.03 72.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.36 0.664 . . . . 73.34 110.681 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -78.98 -14.57 59.12 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.314 0.646 . . . . 75.14 111.163 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.7 m80 64.69 21.09 12.33 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.199 1.4 . . . . 74.4 111.839 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.91 102.64 11.81 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.629 1.172 . . . . 73.12 109.212 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -68.27 -38.99 82.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.039 0.536 . . . . 63.22 111.804 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.93 -50.18 74.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.661 0.784 . . . . 64.33 111.077 -175.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.17 83.11 Favored Glycine 0 C--N 1.346 1.115 0 O-C-N 124.117 0.886 . . . . 71.12 112.985 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.89 90.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.64 0.376 . . . . 64.11 111.035 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -69.59 -31.06 68.98 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.606 0.762 . . . . 71.12 111.0 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -74.28 -37.49 63.67 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.564 0.746 . . . . 72.24 110.508 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.68 61.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.355 0.662 . . . . 74.41 110.469 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.38 64.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.591 0.756 . . . . 73.51 111.193 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.44 -44.87 61.79 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.967 0.507 . . . . 75.42 109.959 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.1 m -63.47 -29.56 70.82 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.476 -0.784 . . . . 73.22 110.654 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.34 -45.54 79.88 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.663 0.785 . . . . 75.21 111.019 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -58.34 -49.87 75.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.976 0.51 . . . . 75.41 110.179 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -61.79 -36.29 80.67 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.789 0.836 . . . . 74.52 111.69 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.35 79.57 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.128 0.571 . . . . 72.13 111.18 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -65.4 -30.67 71.5 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.571 0.349 . . . . 73.31 111.276 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -68.61 -30.06 68.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.59 0.756 . . . . 75.3 111.36 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.19 -26.65 33.18 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.548 0.739 . . . . 72.33 111.583 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.477 0.898 0 C-N-CA 123.77 0.828 . . . . 71.13 109.548 171.375 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo . . . . . 0 N--CA 1.491 1.376 0 N-CA-C 112.665 0.217 . . . . 75.44 112.665 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.08 -45.03 96.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.369 1.068 . . . . 73.21 110.747 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.45 -32.87 68.83 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.099 -0.955 . . . . 75.12 110.521 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.83 -36.17 79.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.005 0.522 . . . . 65.11 109.913 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.29 -44.39 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.358 1.063 . . . . 70.3 110.639 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.77 68.84 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.755 0.822 . . . . 64.23 112.13 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.5 -42.97 86.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.03 0.532 . . . . 72.13 109.916 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -74.25 -25.16 59.47 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.681 0.792 . . . . 75.32 111.43 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.91 -48.2 79.98 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.639 0.775 . . . . 63.11 109.596 172.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.15 -42.33 99.44 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.886 -1.052 . . . . 63.21 110.416 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.44 65.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.685 0.794 . . . . 71.21 112.248 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.69 -45.4 65.09 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.997 0.919 . . . . 73.12 110.446 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.522 -0.763 . . . . 73.12 110.99 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.16 -41.75 98.6 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.958 -1.019 . . . . 75.41 110.355 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.21 77.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.294 -0.866 . . . . 75.23 110.471 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.12 -41.23 83.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.525 0.73 . . . . 74.41 111.641 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.29 -41.89 76.64 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.146 0.979 . . . . 73.31 110.447 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 68.7 mt -89.71 -2.81 58.37 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.014 -0.994 . . . . 72.3 111.665 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 68.57 27.62 6.08 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.999 1.32 . . . . 63.12 111.23 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.1 mm-40 -74.22 91.05 2.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.649 1.18 . . . . 71.53 109.984 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -58.74 10.36 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.338 0.399 . . . . 65.33 112.515 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.07 -39.84 63.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.896 0.879 . . . . 74.54 112.035 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 23' ' ' GLN . 5.6 mp -74.61 -28.28 60.82 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.077 0.551 . . . . 73.55 112.179 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.71 -43.03 73.23 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.994 -0.373 . . . . 73.3 109.994 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.18 96.71 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 115.324 -0.853 . . . . 74.31 112.012 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -66.01 -41.44 91.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.497 0.719 . . . . 63.31 110.619 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.87 79.15 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.514 0.725 . . . . 74.04 110.735 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.69 -42.7 90.93 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.977 0.911 . . . . 75.42 111.064 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.68 -41.87 91.66 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.411 1.084 . . . . 72.53 110.95 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -68.53 -45.46 72.16 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.465 0.706 . . . . 75.32 110.39 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.45 -37.31 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.572 . . . . 72.03 110.186 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.08 -45.28 96.25 Favored Glycine 0 C--N 1.345 1.052 0 O-C-N 123.987 0.804 . . . . 64.31 111.971 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.72 -31.42 72.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.341 0.657 . . . . 75.35 111.071 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 28.7 mm-40 -72.82 -33.17 66.01 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.673 0.389 . . . . 74.24 110.868 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HE3' ' HE2' ' A' ' 50' ' ' TYR . 73.6 mmtt -71.31 -40.9 70.52 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.97 0.508 . . . . 75.42 109.998 173.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.34 -38.48 91.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.594 1.158 . . . . 72.32 110.719 -176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 37' ' ' GLU . 12.1 ptmt -75.36 -23.13 57.14 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.556 0.742 . . . . 74.43 110.944 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.457 ' HE1' ' HD2' ' A' ' 43' ' ' LYS . 77.1 mtm -92.28 0.24 57.44 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.354 0.661 . . . . 74.33 112.328 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.84 10.8 84.96 Favored Glycine 0 C--N 1.348 1.217 0 N-CA-C 113.492 0.157 . . . . 50.24 113.492 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HD2' ' HE1' ' A' ' 41' ' ' MET . 64.9 mttm -92.72 55.37 2.42 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 73.52 108.224 176.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 80' ' ' LYS . 43.4 t -71.83 -25.8 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 114.297 -1.32 . . . . 72.43 112.302 -163.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -67.39 -39.29 85.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.798 0.439 . . . . 72.21 110.096 177.749 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.22 -42.54 88.57 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 123.809 0.693 . . . . 61.51 109.71 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.6 71.15 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.312 1.045 . . . . 71.25 111.11 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.16 -51.46 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.726 1.267 . . . . 73.31 110.886 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 36.7 mt-10 -62.16 -40.01 94.54 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.055 0.847 . . . . 64.15 111.039 -174.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.417 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 63.7 m-85 -69.2 -38.46 78.62 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.198 0.599 . . . . 74.45 111.604 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -71.04 -29.87 65.9 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.388 0.43 . . . . 61.42 110.523 177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.32 -44.88 67.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.326 0.65 . . . . 75.55 109.381 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.5 mtp180 -64.91 -48.7 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.862 -1.063 . . . . 74.15 110.081 176.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.15 -46.95 79.08 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.187 0.995 . . . . 71.23 111.201 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.92 -38.9 92.8 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.055 1.342 . . . . 74.45 110.837 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -68.73 -31.98 71.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.91 0.884 . . . . 72.12 110.759 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 53' ' ' ARG . 89.3 t -74.42 -41.41 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.828 0.451 . . . . 75.32 110.007 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -66.64 -30.08 70.26 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.034 0.534 . . . . 73.12 110.687 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -70.4 -38.02 74.57 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.72 1.208 . . . . 73.14 110.065 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.59 80.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.644 -0.707 . . . . 74.1 110.455 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 18.8 mm-40 -71.48 -12.35 61.35 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.785 0.834 . . . . 75.41 110.716 173.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 m80 63.01 25.36 15.0 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.848 1.259 . . . . 73.12 111.622 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -96.12 94.21 7.4 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.115 -1.439 . . . . 73.35 107.115 171.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.8 t -60.32 -35.7 76.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.032 -0.531 . . . . 72.21 111.407 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.6 -34.38 72.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.467 0.707 . . . . 75.02 111.443 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.6 -40.32 86.03 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.672 -0.571 . . . . 72.3 111.672 175.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.44 88.75 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.328 0.651 . . . . 72.4 110.838 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.06 -28.53 64.44 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.996 0.918 . . . . 74.11 111.17 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -40.25 71.61 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.296 -0.631 . . . . 73.31 109.296 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.4 -29.99 69.64 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.864 -0.607 . . . . 71.44 110.481 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.45 -27.85 62.57 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.904 0.882 . . . . 71.23 111.6 175.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.527 ' HB2' ' HZ3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -67.23 -49.63 63.78 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.254 -0.647 . . . . 73.4 109.254 174.163 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.0 m -63.4 -30.92 71.96 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.429 -0.805 . . . . 71.32 111.27 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.22 -48.18 68.59 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.657 0.783 . . . . 74.14 111.748 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.1 p -63.69 -35.24 79.9 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.481 0.313 . . . . 71.04 110.732 -176.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.71 -43.75 98.0 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.764 0.826 . . . . 64.32 110.192 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.955 -1.021 . . . . 75.42 111.505 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -69.54 -21.71 63.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.726 0.81 . . . . 74.14 111.694 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -78.04 -30.79 50.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.822 0.449 . . . . 61.2 111.407 173.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.653 ' HB2' HG11 ' A' ' 44' ' ' VAL . 97.6 mttt -81.6 -25.46 35.71 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.678 0.391 . . . . 73.24 111.087 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 N--CA 1.477 0.903 0 C-N-CA 123.345 0.658 . . . . 71.32 109.494 173.791 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.482 ' O ' HG13 ' A' ' 8' ' ' ILE . 74.5 Cg_exo . . . . . 0 N--CA 1.495 1.6 0 N-CA-C 112.34 0.092 . . . . 75.25 112.34 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.29 -44.76 80.17 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.476 1.111 . . . . 72.12 111.122 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -64.53 -37.95 89.33 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.509 1.124 . . . . 72.05 109.694 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -68.64 -31.26 70.28 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.149 0.58 . . . . 74.31 111.245 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.64 HG22 HG23 ' A' ' 34' ' ' ILE . 80.0 mt -62.03 -43.42 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.233 0.613 . . . . 75.04 110.18 177.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.25 64.05 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.945 0.898 . . . . 71.24 111.702 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -67.82 -49.53 61.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.78 0.832 . . . . 53.55 110.659 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -62.34 -33.98 75.76 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.221 0.608 . . . . 74.32 111.128 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.8 -35.27 74.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.078 0.951 . . . . 74.52 111.354 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -77.12 -39.2 50.21 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.691 -0.686 . . . . 74.1 110.369 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.78 77.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.522 0.729 . . . . 74.51 110.264 172.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.415 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 48.1 t80 -62.02 -35.16 77.75 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.378 -1.283 . . . . 75.22 111.432 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -64.52 -34.34 78.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.689 0.396 . . . . 73.1 110.795 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -72.95 -45.15 59.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.092 0.87 . . . . 74.3 110.41 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.25 -41.61 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.135 0.974 . . . . 74.2 111.103 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -73.29 -41.31 63.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.264 1.426 . . . . 75.33 110.19 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.45 -40.04 81.54 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.114 1.365 . . . . 75.55 111.513 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.0 mt -87.69 -5.56 58.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.171 -0.922 . . . . 75.33 111.306 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 62.43 37.85 13.24 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.816 1.247 . . . . 73.24 111.593 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -97.49 86.5 3.87 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.003 -1.11 . . . . 74.32 108.003 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.63 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 123.822 0.701 . . . . 73.24 114.496 -172.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.82 -51.77 51.75 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.886 -0.783 . . . . 73.41 108.886 171.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.29 -34.46 77.73 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.203 1.001 . . . . 75.43 111.127 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.9 mtp -69.38 -50.09 49.29 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.901 0.881 . . . . 72.35 110.606 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.0 99.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 123.794 0.684 . . . . 61.23 112.215 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -63.3 -40.38 97.2 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.305 1.042 . . . . 75.32 110.637 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 15' ' ' TYR . . . -63.18 -50.99 68.15 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.696 0.799 . . . . 71.01 110.145 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 34' ' ' ILE . 93.6 mt -63.54 -33.34 75.38 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.885 0.874 . . . . 74.44 111.162 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.48 -42.49 87.41 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.779 0.674 . . . . 74.51 109.895 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -44.39 85.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.559 0.743 . . . . 73.44 110.362 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.64 HG23 HG22 ' A' ' 8' ' ' ILE . 88.2 mt -56.23 -44.24 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 124.21 0.944 . . . . 75.23 110.101 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.67 -42.13 99.73 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 124.135 0.897 . . . . 61.01 112.468 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.51 -35.42 80.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.161 0.585 . . . . 72.54 111.003 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.97 -40.63 75.28 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.589 0.756 . . . . 71.25 110.665 178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.23 -42.93 96.26 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.275 0.63 . . . . 74.54 109.98 173.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -60.61 -46.29 90.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.242 1.417 . . . . 73.45 111.019 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -75.65 -24.03 56.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.102 0.561 . . . . 73.13 112.081 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.9 mtp -75.81 -16.77 60.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.104 0.562 . . . . 71.43 111.082 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.4 -1.21 64.15 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 119.784 -0.453 . . . . 73.25 112.546 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -87.21 67.3 9.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.231 1.012 . . . . 70.33 109.826 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 80' ' ' LYS . 44.8 t -72.46 -26.84 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 114.375 -1.284 . . . . 73.51 111.6 -171.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -40.66 79.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.005 0.522 . . . . 75.43 109.696 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.03 -36.68 75.23 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.798 0.686 . . . . 74.35 110.394 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -47.41 74.07 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.706 0.802 . . . . 65.03 109.985 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -47.41 77.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 124.515 1.134 . . . . 72.33 111.418 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.29 -48.62 73.8 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.976 0.798 . . . . 74.33 110.637 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -71.04 -32.18 68.83 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.499 -0.773 . . . . 54.4 112.595 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -75.52 -30.13 59.68 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.921 0.328 . . . . 70.43 110.406 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.2 -45.44 69.91 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.775 -0.824 . . . . 72.3 108.775 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' HG22 ' A' ' 57' ' ' VAL . 70.6 mtp180 -61.5 -50.79 71.28 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 114.177 -1.374 . . . . 73.45 110.6 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.2 73.82 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.485 1.114 . . . . 72.32 110.674 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.48 -43.78 98.26 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.131 0.972 . . . . 74.21 111.264 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -39.32 94.04 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.055 0.847 . . . . 70.22 110.443 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 53' ' ' ARG . 61.9 t -68.6 -42.44 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 122.945 0.498 . . . . 74.04 109.89 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -64.56 -34.17 77.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.781 0.832 . . . . 72.22 111.222 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.22 -36.1 78.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.761 0.824 . . . . 74.52 110.044 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.4 80.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.202 -0.908 . . . . 64.3 110.7 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 13.2 mm-40 -75.82 -11.26 59.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.879 0.872 . . . . 73.3 111.494 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 64.69 21.63 12.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.502 1.121 . . . . 74.32 110.95 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -83.6 99.82 10.42 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.214 -1.032 . . . . 73.14 108.214 173.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 t -65.72 -41.13 92.63 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.945 -1.025 . . . . 72.22 111.418 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.56 -44.34 87.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.689 0.796 . . . . 73.25 111.597 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.12 -37.12 86.79 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.654 0.596 . . . . 55.01 112.516 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -37.76 88.6 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.069 0.548 . . . . 71.13 110.205 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.37 -32.51 70.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.783 0.833 . . . . 74.43 111.206 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -50.18 70.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.283 1.033 . . . . 74.42 109.436 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.83 86.91 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.609 -1.178 . . . . 75.22 110.778 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.45 70.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.731 0.813 . . . . 63.03 112.096 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.64 -48.87 44.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.866 0.866 . . . . 71.12 109.877 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -65.91 -29.88 70.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.808 -1.087 . . . . 72.05 110.23 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.38 -46.75 82.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.044 0.938 . . . . 73.21 110.855 170.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.4 t -58.59 -33.13 69.64 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.42 0.688 . . . . 72.13 110.821 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -76.91 -37.83 54.66 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.819 0.847 . . . . 74.22 110.671 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.27 82.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.734 0.814 . . . . 73.55 111.723 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -68.14 -26.1 65.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.139 0.576 . . . . 64.22 111.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -61.77 -44.49 96.79 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.166 0.587 . . . . 73.43 110.471 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.59 ' HB2' HG12 ' A' ' 44' ' ' VAL . 47.7 mttm -69.61 -38.68 77.36 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.999 -1.001 . . . . 75.42 110.713 -174.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 124.188 0.995 . . . . 74.54 110.992 178.211 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 8.0 Cg_endo . . . . . 0 N--CA 1.492 1.401 0 N-CA-C 114.899 1.077 . . . . 75.22 114.899 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.445 ' HA ' HD11 ' A' ' 8' ' ' ILE . 26.3 t70 -57.97 -46.48 85.08 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.874 0.734 . . . . 74.42 111.064 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -68.92 -34.7 75.81 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.967 -1.015 . . . . 65.25 109.232 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.09 -31.46 70.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.027 0.931 . . . . 73.14 111.497 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 91.1 mt -52.54 -51.21 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.577 0.751 . . . . 73.13 109.726 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -34.11 77.61 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.544 0.738 . . . . 60.53 112.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -64.99 -41.11 95.7 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.373 0.669 . . . . 75.11 110.288 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.12 -25.13 51.77 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.276 -0.875 . . . . 75.31 111.115 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 53.0 mt-10 -72.83 -31.99 65.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.015 0.526 . . . . 71.22 110.707 173.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.99 59.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.114 0.566 . . . . 74.22 109.716 174.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.19 66.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.453 0.701 . . . . 75.45 110.26 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -70.09 -44.16 69.61 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.822 0.849 . . . . 74.32 110.301 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -73.12 -31.6 64.41 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.742 0.652 . . . . 74.31 111.123 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -69.99 -29.46 66.54 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.986 0.422 . . . . 74.43 110.035 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.12 60.43 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.556 0.742 . . . . 73.11 110.877 172.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.55 -33.87 60.7 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.551 1.14 . . . . 72.43 111.414 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.36 -31.71 71.29 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.152 0.501 . . . . 73.14 110.266 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.98 -16.61 57.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.14 -0.937 . . . . 72.22 110.316 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 62.4 25.66 15.31 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.926 1.291 . . . . 75.43 110.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -97.25 92.23 5.9 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.366 -0.834 . . . . 72.41 109.107 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.64 -31.0 57.29 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.173 -0.921 . . . . 73.11 114.582 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 9.3 pt-20 -61.65 -30.52 70.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.896 0.478 . . . . 70.14 111.504 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -81.23 -42.59 20.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.386 1.074 . . . . 75.22 111.217 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 85.0 mtp -63.2 -43.07 99.19 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.269 1.028 . . . . 70.45 111.926 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -32.03 82.4 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.54 -0.755 . . . . 73.12 112.667 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 95.0 mtt180 -59.54 -50.19 74.85 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.216 -0.661 . . . . 73.22 109.216 175.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.08 91.86 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.587 1.18 . . . . 74.11 111.625 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 53' ' ' ARG . 91.6 mt -66.15 -39.59 89.93 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.498 0.719 . . . . 71.11 110.84 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HE1' ' HA ' ' A' ' 70' ' ' ALA . 65.5 t80 -64.21 -38.32 90.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.529 0.731 . . . . 75.41 110.177 177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -64.32 -48.65 74.8 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.461 0.705 . . . . 74.12 110.673 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 72.2 mt -59.96 -37.98 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 124.075 0.86 . . . . 65.34 110.08 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.77 96.79 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 124.007 0.817 . . . . 72.31 112.333 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.26 -34.01 77.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.271 0.628 . . . . 71.34 110.652 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.04 -45.66 76.79 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.715 0.634 . . . . 62.42 110.662 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 73.7 mmtt -60.0 -43.74 95.0 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.389 0.676 . . . . 74.25 110.196 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -64.01 -43.82 94.47 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.332 1.053 . . . . 75.51 110.797 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.575 ' HD2' ' HB3' ' A' ' 4' ' ' PRO . 16.4 ptpt -75.29 -23.18 57.34 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.681 0.392 . . . . 71.44 110.956 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.513 ' HE1' ' HE2' ' A' ' 43' ' ' LYS . 90.6 mtp -75.39 -15.36 60.47 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.493 0.717 . . . . 64.23 110.973 170.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.51 -13.84 59.54 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 116.075 -0.511 . . . . 74.34 112.694 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.513 ' HE2' ' HE1' ' A' ' 41' ' ' MET . 54.4 mtmt -84.71 70.89 10.85 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 122.05 0.929 . . . . 64.2 109.888 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.46 -24.09 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 114.129 -1.396 . . . . 75.31 111.215 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -56.06 -52.5 64.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.553 0.741 . . . . 65.33 111.257 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.47 -33.34 72.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.647 0.379 . . . . 73.2 110.775 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.1 74.61 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.744 0.818 . . . . 61.01 111.061 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.408 HD13 HG22 ' A' ' 81' ' ' VAL . 96.5 mt -53.81 -52.34 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 124.7 1.25 . . . . 75.52 110.981 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' A' ' 52' ' ' LEU . 49.0 mt-10 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.028 0.83 . . . . 63.01 111.309 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -74.8 -31.32 61.68 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.053 0.76 . . . . 74.41 113.053 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -75.44 -27.44 58.94 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.75 -0.463 . . . . 73.03 109.75 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 49' ' ' GLU . 90.1 mt -69.2 -44.92 71.13 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.572 0.749 . . . . 74.33 109.35 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' A' ' 31' ' ' LEU . 76.3 mtp180 -67.48 -44.85 77.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.376 -0.829 . . . . 73.15 110.843 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.86 -47.79 83.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.261 0.624 . . . . 35.43 110.471 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.5 -41.17 96.89 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.382 1.051 . . . . 75.44 110.896 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.53 -46.17 87.34 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 124.092 0.87 . . . . 72.44 110.87 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 73.3 t -69.47 -44.31 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 115.088 -0.96 . . . . 73.0 110.533 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -64.69 -30.86 71.88 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.311 0.644 . . . . 74.34 111.769 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.28 -37.76 81.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.201 1.0 . . . . 72.14 109.414 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.43 68.75 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.789 -1.096 . . . . 65.44 111.012 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 19.4 mm-40 -76.62 -14.65 59.97 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.312 0.645 . . . . 75.0 111.862 175.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 m170 63.03 27.67 15.94 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.03 0.932 . . . . 74.11 111.408 -172.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.04 99.33 11.82 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.361 -0.978 . . . . 73.43 108.361 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.3 t -61.88 -40.55 95.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.388 0.675 . . . . 75.04 111.672 -173.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 14.7 m-20 -68.29 -32.5 72.69 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.303 0.641 . . . . 75.22 111.642 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.61 87.79 Favored Glycine 0 CA--C 1.526 0.766 0 O-C-N 123.441 0.463 . . . . 74.22 112.005 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.13 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.285 0.634 . . . . 74.03 111.232 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' ASP . 97.4 mtt180 -64.63 -53.71 43.36 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 74.12 110.43 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -69.96 -33.92 72.73 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.394 -0.821 . . . . 72.42 111.276 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HA ' ' HE1' ' A' ' 32' ' ' TYR . . . -72.72 -42.78 63.79 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 122.906 0.483 . . . . 74.35 110.484 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.54 65.47 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.766 0.666 . . . . 71.25 110.982 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 1.2 tpmt? -76.41 -40.64 50.23 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.017 0.527 . . . . 73.44 110.326 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.0 t -68.03 -32.21 72.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.674 0.79 . . . . 70.41 109.802 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -47.01 88.35 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.438 -0.801 . . . . 73.1 110.657 168.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m -61.72 -36.49 81.1 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.667 0.605 . . . . 74.32 111.555 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.6 -42.33 82.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.605 0.762 . . . . 74.2 110.746 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.12 95.35 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.328 1.051 . . . . 74.23 111.9 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -72.28 -23.63 61.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.23 0.612 . . . . 71.12 111.805 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.34 -21.06 56.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.712 0.405 . . . . 75.5 111.165 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -82.19 -44.44 16.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.641 0.776 . . . . 74.22 109.71 174.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 HD13 ' A' ' 48' ' ' ILE . 94.3 t . . . . . 0 CA--C 1.547 0.862 0 CA-C-N 115.463 -0.79 . . . . 75.04 110.016 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 N--CA 1.497 1.683 0 N-CA-C 112.937 0.322 . . . . 74.44 112.937 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.711 ' HA ' HD13 ' A' ' 8' ' ' ILE . 28.4 t70 -62.35 -43.44 98.82 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.051 0.94 . . . . 70.5 111.397 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.47 -47.6 84.93 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 73.1 110.092 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.458 ' HA ' ' HZ2' ' A' ' 10' ' ' LYS . 84.7 m-20 -56.2 -39.76 72.94 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 124.227 0.954 . . . . 73.32 111.058 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 5' ' ' ASP . 67.5 mt -51.87 -54.47 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.747 1.219 . . . . 74.13 111.748 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -62.37 -33.4 74.66 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.237 0.961 . . . . 72.24 111.253 -176.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HZ2' ' HA ' ' A' ' 7' ' ' ASN . 7.4 ttpm? -72.94 -42.55 63.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.62 0.768 . . . . 72.22 110.802 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -72.33 -22.68 61.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.384 0.673 . . . . 74.02 111.311 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -73.85 -35.47 64.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 64.41 110.245 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 56.5 mttm -68.34 -41.17 81.13 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.374 -0.602 . . . . 71.42 109.374 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.19 68.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.914 -1.039 . . . . 72.41 111.632 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.34 -37.78 80.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.106 0.962 . . . . 73.33 110.899 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.62 -36.86 79.2 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.859 0.362 . . . . 74.44 111.218 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -69.68 -39.5 76.96 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.973 0.909 . . . . 74.24 109.076 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.11 85.24 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.68 -1.145 . . . . 74.33 110.604 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.91 -41.45 95.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.396 -1.274 . . . . 74.51 110.464 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.48 -40.28 82.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.511 1.124 . . . . 72.55 111.681 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.8 mt -94.77 11.3 31.93 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.591 -0.731 . . . . 73.14 111.676 -177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 64.06 22.56 12.96 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.805 1.242 . . . . 75.42 111.841 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -83.65 85.02 7.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.777 0.831 . . . . 75.35 109.761 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.73 78.24 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-N 115.783 -0.644 . . . . 73.33 111.99 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.3 -51.51 64.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.007 0.923 . . . . 74.24 110.369 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.4 mt -67.76 -39.37 84.15 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.266 -0.879 . . . . 75.42 111.207 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.6 mtm -65.72 -39.22 90.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.671 0.389 . . . . 72.24 111.821 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.87 -46.43 82.3 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.019 -0.832 . . . . 51.52 111.019 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.43 -35.72 78.36 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.558 0.743 . . . . 74.24 110.905 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.65 42.51 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.95 0.782 . . . . 71.4 110.739 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.5 -34.61 78.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.27 0.628 . . . . 74.04 111.159 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' OH ' ' HG2' ' A' ' 69' ' ' ARG . 64.3 t80 -66.93 -43.89 82.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 63.21 110.599 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 36.8 t-20 -67.05 -46.98 72.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.779 0.832 . . . . 62.15 109.847 -177.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.544 HG21 HG21 ' A' ' 8' ' ' ILE . 81.3 mt -56.83 -44.22 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.542 1.137 . . . . 74.5 110.543 173.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.31 -41.3 99.47 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.877 0.735 . . . . 62.2 112.834 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.69 -47.96 80.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.068 0.547 . . . . 74.34 109.967 174.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 12.2 mm-40 -62.83 -30.78 71.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.842 0.714 . . . . 75.42 112.364 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.54 ' HZ3' HD12 ' A' ' 8' ' ' ILE . 5.7 mptp? -62.35 -47.53 83.8 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.851 -0.426 . . . . 74.34 109.851 169.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -64.19 -31.9 73.27 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 124.335 1.022 . . . . 73.03 111.338 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -63.48 -39.33 94.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.548 0.739 . . . . 75.2 110.615 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.526 ' HE2' ' HD3' ' A' ' 43' ' ' LYS . 46.6 mtm -88.92 0.54 56.52 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.515 0.726 . . . . 74.43 112.042 -175.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.54 9.5 78.68 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-O 119.904 -0.387 . . . . 71.4 113.643 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HD3' ' HE2' ' A' ' 41' ' ' MET . 0.1 OUTLIER -87.64 69.29 9.67 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.099 -1.074 . . . . 73.41 108.099 170.672 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.565 HG13 ' HB2' ' A' ' 80' ' ' LYS . 57.5 t -74.56 -30.35 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 115.009 -0.996 . . . . 62.34 111.945 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -68.18 -40.07 82.35 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.196 -0.668 . . . . 74.23 109.196 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.93 -35.2 66.97 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.379 -0.828 . . . . 75.02 109.604 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.51 72.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.204 0.94 . . . . 61.5 110.302 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -52.22 -49.78 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 124.809 1.318 . . . . 75.33 111.404 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -45.44 82.95 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.205 1.402 . . . . 74.54 110.298 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -71.94 -33.49 68.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.629 0.772 . . . . 75.32 112.495 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -71.02 -29.75 65.77 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.433 0.293 . . . . 75.11 110.433 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.39 -43.94 63.21 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.812 0.695 . . . . 75.41 109.416 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 57' ' ' VAL . 58.9 mtt180 -61.05 -53.47 56.74 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.012 0.82 . . . . 72.15 109.827 176.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.3 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.653 1.181 . . . . 73.32 111.994 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -58.21 -45.72 87.12 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.674 1.234 . . . . 74.21 110.657 -178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.09 -36.31 83.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.964 0.79 . . . . 73.24 111.2 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 53' ' ' ARG . 44.4 t -68.61 -39.4 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 N-CA-C 109.74 -0.467 . . . . 74.55 109.74 176.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -63.06 -35.32 79.85 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.572 0.749 . . . . 72.55 110.761 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.33 -35.17 73.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.998 0.519 . . . . 70.23 110.924 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.55 82.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.574 0.75 . . . . 64.2 110.515 175.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -83.43 -11.98 56.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.18 0.992 . . . . 74.11 111.259 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 66.17 22.81 11.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.642 1.177 . . . . 70.23 112.279 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.45 94.69 5.61 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.246 -1.02 . . . . 71.01 108.246 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -64.4 -33.85 76.81 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.016 -0.993 . . . . 75.03 111.801 -175.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.49 -59.11 5.65 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.315 1.046 . . . . 60.45 111.7 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.05 68.31 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-N 115.794 -0.639 . . . . 64.22 113.078 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.12 85.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.89 0.376 . . . . 45.1 111.095 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -72.06 -32.36 67.01 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.323 0.649 . . . . 74.42 110.701 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HG2' ' OH ' ' A' ' 32' ' ' TYR . 71.3 ttt180 -74.55 -32.7 62.52 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.688 0.795 . . . . 75.11 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.04 70.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.749 -0.66 . . . . 73.21 109.456 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.11 70.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.797 0.839 . . . . 73.25 111.445 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -68.57 -49.33 60.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.563 0.745 . . . . 74.31 109.794 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.6 m -63.95 -30.36 71.45 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.772 -0.649 . . . . 54.4 111.714 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.82 -43.56 71.78 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.642 0.777 . . . . 72.21 110.676 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.9 t -58.37 -37.24 74.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.463 0.705 . . . . 74.41 110.288 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.86 -47.04 55.72 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.369 1.068 . . . . 70.51 110.926 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.71 88.43 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.036 0.935 . . . . 71.52 111.718 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -66.97 -36.38 82.06 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.779 0.431 . . . . 75.21 110.851 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.63 -33.13 71.12 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.422 0.689 . . . . 75.23 111.257 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HB2' HG13 ' A' ' 44' ' ' VAL . 92.3 mttt -75.78 -34.21 60.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.301 0.641 . . . . 75.14 110.758 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 123.803 0.841 . . . . 73.44 111.409 179.122 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 112.441 -0.264 . . . . 71.12 112.441 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.3 44.49 0.02 OUTLIER Glycine 0 C--N 1.34 0.8 0 N-CA-C 111.147 -0.781 . . . . 74.44 111.147 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -63.24 146.16 96.3 Favored Pre-proline 0 N--CA 1.477 0.92 0 CA-C-O 118.553 -0.737 . . . . 75.25 110.235 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.1 Cg_exo -58.85 -38.74 86.91 Favored 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 122.49 2.126 . . . . 74.32 113.707 -171.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' HA ' HD13 ' A' ' 8' ' ' ILE . 7.8 t70 -73.07 -29.31 62.87 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.221 0.534 . . . . 75.01 111.018 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.34 -31.6 62.5 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.916 0.886 . . . . 54.4 110.218 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.32 -35.93 80.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.715 0.806 . . . . 65.31 109.589 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.528 HD12 ' HE2' ' A' ' 38' ' ' LYS . 88.1 mt -56.91 -40.21 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.228 1.011 . . . . 71.51 111.289 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -36.22 69.96 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.76 0.663 . . . . 73.31 111.14 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -75.51 -40.57 56.91 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.899 0.48 . . . . 75.4 110.936 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -67.8 -25.73 65.73 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.457 0.703 . . . . 74.23 112.331 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.22 -37.03 66.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.781 0.832 . . . . 72.35 110.175 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -45.04 85.98 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.134 0.574 . . . . 74.33 109.49 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.5 69.93 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.99 -1.005 . . . . 72.03 111.13 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -67.87 -43.28 79.77 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.202 0.601 . . . . 74.11 110.259 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.97 -30.28 71.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.323 0.649 . . . . 74.42 111.415 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -73.1 -40.22 65.16 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.188 0.595 . . . . 74.41 110.145 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.624 0.77 . . . . 72.21 110.822 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -75.98 -39.4 55.97 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.374 1.47 . . . . 72.35 111.513 -170.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.57 -32.77 73.75 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.054 0.454 . . . . 74.25 110.13 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.42 -11.33 58.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.585 0.754 . . . . 74.34 111.343 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 m120 64.94 22.44 12.47 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.04 1.336 . . . . 73.4 112.543 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -93.08 90.52 6.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.431 -0.951 . . . . 74.02 108.431 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' HB2' ' A' ' 27' ' ' MET . . . -63.91 -18.94 62.76 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 115.408 0.923 . . . . 74.22 115.408 -171.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.27 -46.06 90.48 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 109.393 -0.595 . . . . 74.24 109.393 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.56 -41.05 69.55 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.511 1.124 . . . . 75.22 110.762 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.433 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 81.2 mtp -62.8 -40.29 96.91 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.107 0.963 . . . . 73.11 110.872 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.34 -50.79 48.09 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 114.743 -1.117 . . . . 63.34 111.597 175.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -60.65 -31.8 71.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.253 0.621 . . . . 74.15 111.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.47 -52.04 55.82 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.467 0.707 . . . . 75.23 110.789 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 92.5 mt -69.05 -30.67 69.06 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.772 0.67 . . . . 75.45 110.887 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -64.82 -44.96 88.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.814 0.846 . . . . 64.4 110.325 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 94.8 m-20 -62.5 -44.4 96.46 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.866 0.729 . . . . 55.13 110.174 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.87 -43.79 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.053 0.845 . . . . 75.41 110.649 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.58 96.32 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.429 -0.805 . . . . 62.4 112.595 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.68 -40.42 96.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.337 0.655 . . . . 74.1 110.209 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 15.1 mm-40 -64.13 -43.12 96.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.141 0.901 . . . . 72.54 110.352 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HE2' HD12 ' A' ' 8' ' ' ILE . 74.6 mmtt -59.84 -48.58 81.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.147 0.579 . . . . 74.33 110.484 176.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.6 -41.91 95.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.39 1.076 . . . . 73.11 111.621 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -74.23 -23.1 59.12 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.564 0.346 . . . . 65.34 111.555 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.503 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 70.8 mtm -85.01 -8.56 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.219 0.607 . . . . 75.3 111.818 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.5 -0.53 65.68 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-O 120.145 -0.253 . . . . 74.4 112.908 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -81.53 69.83 8.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.773 0.829 . . . . 75.54 109.167 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 48' ' ' ILE . 98.0 t -67.86 -45.0 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 125.153 1.381 . . . . 62.14 111.626 -173.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -70.1 -33.79 72.3 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.883 0.873 . . . . 75.32 110.515 -176.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.61 -35.79 70.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.544 -0.753 . . . . 74.31 110.293 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.68 97.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.665 0.786 . . . . 75.51 110.655 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 81' ' ' VAL . 98.7 mt -53.2 -50.08 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 124.61 1.194 . . . . 74.21 111.109 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -54.13 -51.39 64.4 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 124.282 0.989 . . . . 73.32 110.83 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 55.6 m-85 -71.23 -31.4 67.52 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.124 0.787 . . . . 74.42 113.124 -175.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.66 -30.96 61.78 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 117.765 0.257 . . . . 75.13 110.563 175.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.11 -43.44 64.74 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.174 0.59 . . . . 64.24 109.672 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 57' ' ' VAL . 71.8 mtt180 -70.94 -41.06 71.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.098 -0.955 . . . . 74.41 110.088 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.53 73.73 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.844 0.715 . . . . 75.1 110.793 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -60.37 -43.2 96.8 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.716 1.26 . . . . 75.35 110.486 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -56.75 -41.96 78.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.741 1.216 . . . . 74.34 111.147 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.1 t -71.36 -38.23 68.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.859 -0.61 . . . . 74.44 110.256 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -63.0 -37.38 86.96 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.063 0.545 . . . . 70.04 111.324 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -66.34 -34.27 77.59 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.777 0.831 . . . . 74.45 110.353 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.66 86.73 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.537 0.735 . . . . 71.33 110.89 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.67 -13.66 59.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.85 0.86 . . . . 74.14 111.341 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.7 m80 67.78 21.63 9.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.255 1.422 . . . . 75.2 111.271 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -82.28 86.58 6.65 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.822 -1.177 . . . . 73.52 107.822 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 t -64.76 -24.07 67.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.412 -1.267 . . . . 74.24 111.876 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.31 -55.17 23.14 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.669 0.788 . . . . 74.2 110.603 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.34 72.0 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 124.054 0.847 . . . . 73.0 112.667 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.96 86.38 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.101 0.561 . . . . 70.43 110.606 174.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -70.3 -30.52 67.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.006 0.922 . . . . 75.02 111.129 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -69.9 -42.62 73.14 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.969 0.908 . . . . 73.53 110.359 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.28 71.6 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 115.233 -0.894 . . . . 73.43 110.064 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -71.86 -27.41 62.86 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.644 0.778 . . . . 74.4 111.783 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -73.79 -42.13 61.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.097 0.559 . . . . 74.41 109.541 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 m -69.13 -28.99 66.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.83 0.852 . . . . 72.3 111.049 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.439 HD22 ' HH ' ' A' ' 78' ' ' TYR . 16.5 mt -64.33 -41.18 96.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.239 0.616 . . . . 75.24 110.735 170.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.9 t -63.45 -41.6 98.64 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 123.707 0.63 . . . . 74.14 110.042 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HA ' HE21 ' A' ' 79' ' ' GLN . 0.6 OUTLIER -57.44 -39.1 75.53 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.037 1.335 . . . . 71.23 110.96 174.113 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' O ' HG22 ' A' ' 81' ' ' VAL . . . -74.04 -44.31 54.73 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.789 0.836 . . . . 74.4 111.504 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.439 ' HH ' HD22 ' A' ' 74' ' ' LEU . 19.4 m-85 -65.96 -30.41 70.96 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.552 0.741 . . . . 75.31 111.88 -174.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 76' ' ' GLU . 48.1 mt-30 -59.49 -37.93 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.714 0.634 . . . . 72.51 110.553 172.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -83.39 -10.26 58.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.139 0.976 . . . . 73.44 112.378 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 HD13 ' A' ' 48' ' ' ILE . 46.4 t -86.45 -30.32 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 109.3 -0.629 . . . . 73.31 109.3 173.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -86.08 -69.24 0.68 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.159 0.984 . . . . 74.55 109.657 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.62 92.4 0.63 Allowed Glycine 0 C--N 1.35 1.336 0 N-CA-C 110.95 -0.86 . . . . 75.14 110.95 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.5 t -58.58 88.09 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.736 1.214 . . . . 73.32 112.707 -171.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.64 -65.1 4.18 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.447 -0.797 . . . . 61.21 112.867 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.4 t70 69.81 145.69 0.06 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.476 1.51 . . . . 53.44 111.555 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.528 ' HZ3' ' HB3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -71.49 88.43 0.91 Allowed 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 108.173 -1.047 . . . . 74.1 108.173 -179.349 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.3 157.78 28.62 Favored Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.716 -0.675 . . . . 71.12 112.094 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -87.81 95.12 9.97 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 109.26 -0.645 . . . . 74.4 109.26 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 pt -82.48 121.07 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 N-CA-C 108.635 -0.876 . . . . 72.15 108.635 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -77.49 79.46 3.99 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.359 0.663 . . . . 70.22 110.448 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -89.47 162.89 15.49 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.606 -0.725 . . . . 75.54 109.847 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.74 179.97 8.72 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 123.945 0.898 . . . . 75.04 109.331 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.06 163.31 27.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.576 0.75 . . . . 72.4 111.496 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.51 136.58 34.15 Favored Glycine 0 C--N 1.347 1.159 0 N-CA-C 111.407 -0.677 . . . . 63.4 111.407 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.5 96.04 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.312 0.645 . . . . 73.34 110.154 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.8 t -112.7 70.7 0.72 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.056 0.942 . . . . 74.31 108.943 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.4 mt -94.98 47.52 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 122.537 1.161 . . . . 72.52 108.116 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.8 mt -100.45 91.06 4.52 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 114.997 -1.002 . . . . 70.42 109.473 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 C--O 1.25 1.105 0 N-CA-C 107.988 -1.116 . . . . 72.55 107.988 175.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.694 -0.562 . . . . 61.24 111.694 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.06 -127.19 3.66 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 112.075 -0.41 . . . . 75.02 112.075 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -70.9 162.56 71.3 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 123.631 0.772 . . . . 64.41 111.128 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' O ' HG13 ' A' ' 8' ' ' ILE . 91.1 Cg_exo -48.14 -29.16 12.02 Favored 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.216 2.611 . . . . 74.54 114.052 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.538 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.5 m-20 -58.08 -43.19 86.88 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.774 1.229 . . . . 75.34 111.92 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.88 -33.07 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.867 0.467 . . . . 74.45 110.613 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -63.4 -39.13 93.67 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.604 -0.725 . . . . 74.3 109.952 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.8 mt -57.98 -41.76 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.34 1.056 . . . . 72.25 110.978 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -56.28 -40.42 74.22 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.048 0.842 . . . . 74.25 111.01 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.32 -39.72 78.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.721 0.809 . . . . 74.23 111.227 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -68.3 -27.43 66.3 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.409 -0.36 . . . . 74.54 110.523 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.95 -33.07 61.89 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 75.44 110.687 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 61.4 mttm -64.19 -46.64 83.06 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.16 0.584 . . . . 71.21 109.613 172.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.4 68.2 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 114.608 -1.178 . . . . 72.43 111.294 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.86 -49.95 40.46 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.254 1.022 . . . . 73.3 110.704 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.86 -31.32 64.65 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.962 -0.563 . . . . 73.44 111.247 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -70.72 -40.94 72.52 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 123.467 0.479 . . . . 73.14 109.989 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . . . -55.88 -42.05 75.37 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.276 -0.874 . . . . 72.01 111.143 173.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.94 -39.17 93.53 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.555 -1.202 . . . . 75.42 110.685 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.88 -40.24 94.7 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.805 0.842 . . . . 73.42 110.749 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.04 -7.21 59.51 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.096 -0.956 . . . . 71.11 111.345 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.8 OUTLIER 62.77 21.25 12.66 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.945 1.298 . . . . 73.35 111.39 -179.058 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -95.02 101.27 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.013 0.925 . . . . 74.14 109.255 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.04 -24.79 74.55 Favored Glycine 0 C--O 1.216 -0.987 0 CA-C-N 115.581 -0.736 . . . . 71.32 112.319 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.68 -44.15 73.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.98 0.912 . . . . 75.53 111.398 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 33.6 mt -73.83 -37.22 64.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.989 0.915 . . . . 74.41 110.626 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.37 -38.61 87.97 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.217 0.607 . . . . 73.22 111.156 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.57 84.57 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 111.002 -0.839 . . . . 72.11 111.002 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -62.57 -38.56 90.55 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.19 0.596 . . . . 74.43 110.564 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 34' ' ' ILE . . . -60.64 -52.45 65.08 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.91 0.756 . . . . 71.35 110.279 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 66.5 mt -66.76 -38.63 87.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.971 0.908 . . . . 74.32 111.2 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.75 -42.74 93.87 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.128 0.971 . . . . 75.23 110.365 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -69.97 -44.9 68.52 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.09 -0.959 . . . . 71.1 110.795 -179.363 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 30' ' ' ALA . 89.7 mt -59.52 -33.58 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 124.038 0.836 . . . . 73.1 110.208 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.03 -44.48 95.82 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.844 -0.616 . . . . 41.02 112.459 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.8 -34.41 78.29 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.307 0.643 . . . . 73.54 110.562 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.1 mm-40 -69.72 -38.45 76.9 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.349 0.66 . . . . 74.21 111.234 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 8' ' ' ILE . 5.3 mptp? -67.06 -43.38 82.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.092 0.557 . . . . 74.23 110.073 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.65 -41.99 96.08 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.067 0.854 . . . . 73.31 110.69 -173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.65 -24.19 58.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.268 0.627 . . . . 73.51 112.069 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.86 6.96 29.25 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.146 0.578 . . . . 75.31 111.625 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.96 8.16 84.63 Favored Glycine 0 C--N 1.351 1.393 0 O-C-N 123.126 0.266 . . . . 54.34 113.395 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -93.65 55.37 2.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.5 1.12 . . . . 73.1 108.728 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 80' ' ' LYS . 87.4 t -67.77 -32.21 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 113.778 -1.555 . . . . 74.12 111.901 -170.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -62.66 -43.94 97.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.904 0.481 . . . . 75.13 111.129 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -67.87 -42.07 81.88 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.75 -0.659 . . . . 64.44 109.69 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.71 67.66 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 124.486 1.116 . . . . 75.14 111.65 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 81' ' ' VAL . 88.6 mt -51.96 -54.08 15.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 124.598 1.186 . . . . 72.34 110.684 174.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.86 -31.83 73.25 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.973 0.796 . . . . 73.45 111.701 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 56.8 m-85 -70.84 -34.73 71.97 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.356 0.41 . . . . 73.5 111.283 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.2 -28.1 59.86 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.892 0.477 . . . . 75.51 110.583 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 92.8 mt -69.59 -47.89 62.01 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.132 -0.692 . . . . 74.4 109.132 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' O ' HG21 ' A' ' 57' ' ' VAL . 78.3 mtp180 -62.54 -52.5 63.2 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 114.07 -1.423 . . . . 75.12 109.993 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.05 70.22 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.42 1.075 . . . . 54.13 111.212 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.83 -51.19 70.62 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.742 1.277 . . . . 75.53 111.057 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.49 -33.25 74.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.693 0.797 . . . . 72.42 111.478 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 53' ' ' ARG . 94.6 t -74.16 -32.97 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 123.157 0.583 . . . . 73.33 109.585 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.01 -33.4 73.59 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.827 0.451 . . . . 75.12 110.509 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -67.39 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.141 0.577 . . . . 74.02 110.346 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.68 -31.71 69.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.765 . . . . 65.1 111.026 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -87.82 -12.6 44.49 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.593 0.757 . . . . 75.04 111.784 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 65.58 24.99 11.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.591 1.156 . . . . 50.33 111.546 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.78 83.71 6.47 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.11 -1.441 . . . . 71.21 107.11 171.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.54 -39.66 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 114.94 -1.027 . . . . 64.23 112.123 -170.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.48 -42.17 79.04 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.134 0.271 . . . . 53.53 111.29 -173.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.63 -38.37 90.09 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.453 0.47 . . . . 71.52 112.351 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.29 94.71 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.315 0.646 . . . . 72.52 110.965 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -71.35 -29.08 64.55 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.952 0.901 . . . . 74.4 111.495 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -75.3 -33.43 61.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.44 0.696 . . . . 73.2 110.065 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.86 74.46 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.638 -0.71 . . . . 74.31 110.088 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.11 65.63 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 124.085 0.866 . . . . 72.31 112.055 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -70.69 -44.22 67.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.362 0.665 . . . . 75.42 110.391 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -64.92 -29.82 70.78 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.153 -0.93 . . . . 73.21 110.877 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.642 0.777 . . . . 71.11 110.761 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.6 m -56.89 -43.87 81.73 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.694 0.621 . . . . 75.44 110.96 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.78 -40.04 78.9 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.371 1.468 . . . . 73.22 111.543 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.19 -43.5 61.3 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.531 0.733 . . . . 71.44 111.58 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.18 -26.13 64.54 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.544 0.738 . . . . 64.14 112.898 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -60.56 -42.79 97.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.819 0.818 . . . . 71.43 110.351 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' A' ' 86' ' ' ASP . 84.8 mttt -79.29 -23.81 43.31 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.272 -1.331 . . . . 65.24 111.37 -175.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.702 HG23 HD13 ' A' ' 48' ' ' ILE . 43.1 t -72.02 -24.83 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 123.526 0.73 . . . . 74.14 110.223 175.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -72.59 -5.77 39.48 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.77 -0.65 . . . . 73.13 111.214 171.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.71 48.5 61.41 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 111.454 -0.658 . . . . 74.21 111.454 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.4 p -166.22 132.42 2.49 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 123.412 0.685 . . . . 70.43 109.909 -169.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.18 51.63 48.32 Favored Glycine 0 C--N 1.345 1.076 0 O-C-N 123.716 0.635 . . . . 52.23 113.721 173.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.494 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 8.9 p-10 -71.58 140.99 50.03 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.005 -0.739 . . . . 61.31 109.005 173.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.445 ' H ' ' HE2' ' A' ' 80' ' ' LYS . 10.6 ptmm? -153.75 112.41 3.66 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.615 0.766 . . . . 74.21 109.564 -170.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -149.59 101.83 0.23 Allowed Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.392 -0.822 . . . . 74.23 111.157 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -62.28 120.13 10.37 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.536 0.734 . . . . 72.43 110.411 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.2 pt -80.2 4.66 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.524 0.729 . . . . 73.32 112.787 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -63.96 131.22 46.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.811 0.845 . . . . 62.11 111.636 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -99.29 136.37 39.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.578 0.751 . . . . 71.32 109.788 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -74.12 118.87 17.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.792 0.437 . . . . 75.02 110.507 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -72.53 96.42 1.95 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.761 -0.829 . . . . 73.41 108.761 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.86 93.81 0.33 Allowed Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.062 -0.517 . . . . 74.34 112.3 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.41 100.18 0.47 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.66 0.784 . . . . 75.44 110.294 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -94.87 139.04 31.86 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.589 0.755 . . . . 73.3 109.494 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 60.2 mt -94.02 108.2 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-O 120.933 0.397 . . . . 73.32 109.975 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.1 tp -125.65 102.38 7.32 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 106.892 -1.521 . . . . 73.43 106.892 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 CA--C 1.562 1.424 0 C-N-CA 124.731 1.212 . . . . 64.42 111.0 -177.231 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 CA-C-O 119.937 -0.368 . . . . 55.04 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.65 28.94 66.35 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 114.179 0.432 . . . . 35.24 114.179 173.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.408 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 77.5 p -64.69 163.19 29.65 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 124.075 0.95 . . . . 74.22 111.514 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 3' ' ' SER . 13.9 Cg_endo -54.84 -16.55 11.82 Favored 'Trans proline' 0 C--N 1.393 2.898 0 C-N-CA 123.099 2.533 . . . . 75.23 114.986 -175.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.552 ' HB2' ' HE3' ' A' ' 41' ' ' MET . 7.1 t70 -69.23 -36.37 77.12 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.676 0.79 . . . . 74.12 111.377 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.27 -29.49 61.69 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.295 0.638 . . . . 73.54 110.598 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -72.0 -29.65 64.43 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.771 0.828 . . . . 74.23 110.447 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.716 HG22 HG22 ' A' ' 34' ' ' ILE . 47.1 mt -67.54 -43.12 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.541 1.137 . . . . 74.33 109.92 173.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.62 79.55 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.905 0.753 . . . . 65.54 111.233 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -62.29 -45.9 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.031 0.932 . . . . 75.33 110.588 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -67.5 -27.9 67.38 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.372 0.669 . . . . 74.13 111.776 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -71.56 -33.1 68.81 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.36 0.664 . . . . 73.24 111.099 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HZ1' ' HB3' ' A' ' 13' ' ' LYS . 6.3 ttpm? -69.17 -45.9 68.86 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.514 -0.55 . . . . 75.44 109.514 173.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -29.39 70.79 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.419 0.687 . . . . 73.31 111.289 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -69.28 -44.36 72.02 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 115.934 -0.575 . . . . 74.52 110.306 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 30.0 mmmt -58.46 -40.68 83.31 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 123.258 0.349 . . . . 71.5 110.873 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -60.49 -46.98 88.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.136 0.574 . . . . 73.24 110.143 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.85 77.35 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.743 -1.117 . . . . 71.02 111.886 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.53 -37.26 63.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 73.43 111.407 -174.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 12.6 mm-40 -71.3 -24.74 62.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.594 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt -91.24 -8.24 48.98 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.552 0.741 . . . . 74.44 110.663 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.8 32.28 21.24 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 125.442 1.497 . . . . 72.14 111.053 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -92.14 89.13 6.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.201 -0.909 . . . . 75.32 109.012 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.89 -24.29 41.24 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 116.553 1.381 . . . . 64.21 116.553 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.59 -52.96 48.23 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 117.839 0.819 . . . . 72.23 109.654 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.72 -41.21 94.86 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.907 0.883 . . . . 74.44 111.555 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.475 ' HB2' HG13 ' A' ' 57' ' ' VAL . 80.7 mtp -67.19 -50.47 60.86 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.016 0.822 . . . . 74.35 110.697 -175.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.49 95.87 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 124.228 0.955 . . . . 74.33 112.441 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -61.45 -39.84 92.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.35 0.66 . . . . 75.31 111.383 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.62 60.69 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.712 0.633 . . . . 74.12 110.52 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 53' ' ' ARG . 32.5 mt -62.06 -37.75 86.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.861 0.864 . . . . 73.32 111.45 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.95 -44.18 90.25 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.617 0.767 . . . . 74.33 110.735 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 62.2 t30 -66.98 -42.31 85.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.379 1.071 . . . . 75.04 110.265 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.716 HG22 HG22 ' A' ' 8' ' ' ILE . 94.7 mt -57.82 -46.35 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.45 1.1 . . . . 75.01 110.179 174.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -40.97 99.39 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-N 115.103 -0.953 . . . . 61.31 112.288 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.4 mt -62.12 -41.89 98.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.162 0.585 . . . . 75.54 110.508 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 41.1 mm-40 -63.63 -44.78 92.89 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.202 0.601 . . . . 75.11 111.191 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HE2' HG21 ' A' ' 8' ' ' ILE . 71.1 mmtt -58.26 -41.35 84.06 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.866 0.866 . . . . 74.23 110.875 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.38 -29.19 66.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.092 0.957 . . . . 72.02 111.217 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 92.0 mttt -76.07 -35.74 59.26 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.589 0.756 . . . . 73.3 111.496 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.552 ' HE3' ' HB2' ' A' ' 5' ' ' ASP . 22.9 ptm -96.24 12.31 31.42 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.441 0.696 . . . . 74.41 112.367 -173.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.88 -3.06 81.61 Favored Glycine 0 N--CA 1.474 1.225 0 N-CA-C 114.48 0.552 . . . . 74.31 114.48 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.27 55.62 3.12 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.302 1.049 . . . . 73.32 109.654 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.41 -21.09 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 113.83 -1.532 . . . . 75.14 111.658 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -43.71 98.06 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.979 0.912 . . . . 74.13 110.291 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.97 -30.06 58.47 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.891 0.476 . . . . 70.1 110.468 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.3 75.18 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.95 0.781 . . . . 74.45 110.62 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.6 mt -54.05 -54.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.549 1.156 . . . . 72.24 110.566 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.18 -43.49 74.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 124.176 0.922 . . . . 72.54 111.027 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -74.12 -30.58 62.37 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.735 0.814 . . . . 75.3 113.029 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.75 -28.14 60.64 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.205 0.457 . . . . 75.41 110.131 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 93.9 mt -70.78 -42.6 70.15 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.745 -0.835 . . . . 74.44 108.745 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HB3' HD11 ' A' ' 31' ' ' LEU . 95.3 mtt180 -65.1 -44.59 88.31 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.738 -1.119 . . . . 74.54 110.502 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.63 71.34 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.329 0.651 . . . . 74.12 110.783 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.07 -34.72 79.09 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.47 1.106 . . . . 74.43 110.253 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -58.85 -44.29 90.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 74.45 110.837 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 27' ' ' MET . 57.3 t -71.84 -36.93 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.357 -0.838 . . . . 75.12 110.498 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.8 -32.45 73.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.177 0.591 . . . . 73.42 111.521 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -75.42 -29.78 59.86 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.03 0.532 . . . . 75.32 110.066 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.56 0.744 . . . . 75.4 110.305 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.3 -15.36 55.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.365 0.666 . . . . 74.44 111.087 171.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 61.93 20.26 11.38 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.126 1.37 . . . . 72.14 111.699 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.94 97.79 10.43 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 123.872 0.869 . . . . 74.51 108.706 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 11.5 t -67.63 -31.74 71.96 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.634 -0.712 . . . . 75.31 111.527 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.03 -53.41 58.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.391 1.076 . . . . 74.22 111.312 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.29 -37.24 86.17 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 115.611 -0.722 . . . . 75.44 111.931 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.11 72.1 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.019 0.528 . . . . 74.43 111.869 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 64' ' ' THR . 94.0 mtt180 -70.38 -31.63 68.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.368 0.667 . . . . 72.45 110.646 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -67.47 -47.06 71.21 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.118 0.567 . . . . 73.34 109.715 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.97 -34.34 77.88 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.483 -0.781 . . . . 72.25 111.238 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.38 62.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.497 0.719 . . . . 71.23 111.2 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.41 -48.25 80.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.397 0.679 . . . . 73.34 109.727 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -69.56 -29.23 66.75 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.728 -1.124 . . . . 73.44 111.603 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.96 -42.28 99.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.264 0.626 . . . . 72.41 110.913 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.0 t -63.72 -39.91 95.46 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.157 0.583 . . . . 74.54 110.242 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.19 -34.81 78.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.335 1.054 . . . . 74.11 110.896 173.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.72 -47.03 56.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.906 0.882 . . . . 73.11 112.19 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.89 -34.13 75.47 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.944 0.498 . . . . 75.13 111.39 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.64 -36.68 72.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.445 0.698 . . . . 62.24 112.209 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.91 -29.92 26.75 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.587 0.755 . . . . 74.34 111.477 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.3 t -87.46 -29.64 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 123.841 0.856 . . . . 72.55 112.594 -172.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -73.68 -157.01 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.107 0.563 . . . . 65.11 111.075 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.64 74.86 0.57 Allowed Glycine 0 C--N 1.356 1.654 0 C-N-CA 122.858 0.266 . . . . 63.52 113.272 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 p -107.88 127.26 53.58 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.733 1.213 . . . . 74.2 108.911 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.55 75.67 2.2 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 123.305 0.378 . . . . 74.5 112.565 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -83.79 100.49 10.96 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.081 -0.711 . . . . 52.31 109.081 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -69.87 96.27 0.99 Allowed 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.319 -0.623 . . . . 73.33 109.319 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.91 175.43 47.65 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 114.617 -1.174 . . . . 75.43 110.269 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -93.44 78.19 4.41 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.281 0.562 . . . . 74.32 110.34 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.13 111.15 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.779 -1.193 . . . . 71.41 107.779 171.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -74.81 100.42 4.04 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 107.962 -1.125 . . . . 72.53 107.962 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.73 24.09 1.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.605 0.762 . . . . 72.03 112.769 -167.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -74.79 80.55 2.09 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.784 -0.821 . . . . 72.51 108.784 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -75.88 139.43 41.66 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.151 -0.931 . . . . 75.33 109.135 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.76 104.23 0.83 Allowed Glycine 0 C--N 1.348 1.215 0 N-CA-C 111.023 -0.831 . . . . 45.14 111.023 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.89 82.8 0.07 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.628 1.171 . . . . 64.52 111.3 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.5 m 59.91 87.66 0.08 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.727 1.211 . . . . 74.54 111.485 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.1 84.82 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.647 -0.871 . . . . 74.31 108.647 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.4 mt -87.25 92.35 9.03 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.41 -0.813 . . . . 74.54 109.856 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.246 0.92 0 N-CA-C 109.074 -0.713 . . . . 73.43 109.074 179.575 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 CA-C-O 120.984 0.213 . . . . 54.12 112.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.33 -46.16 0.02 OUTLIER Glycine 0 C--N 1.335 0.522 0 N-CA-C 110.924 -0.87 . . . . 63.24 110.924 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -61.86 137.92 95.41 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.624 0.77 . . . . 54.41 110.264 177.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.38 -30.16 26.03 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 123.591 2.861 . . . . 74.23 115.1 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.1 p-10 -72.43 -32.36 66.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.975 0.51 . . . . 71.21 111.683 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.87 -37.33 78.99 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.34 109.936 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -66.44 -42.2 88.03 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.007 -0.997 . . . . 72.15 110.18 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.594 HD11 ' HE2' ' A' ' 38' ' ' LYS . 72.3 mt -54.73 -49.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.632 1.173 . . . . 72.43 110.483 173.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.11 73.64 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.883 0.739 . . . . 71.44 111.572 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -69.18 -47.18 65.6 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.129 0.972 . . . . 72.3 110.783 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.85 -24.98 64.42 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.753 0.821 . . . . 72.42 111.825 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 4.5 tm-20 -74.19 -37.04 64.05 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.281 1.032 . . . . 73.44 110.378 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.6 -39.24 73.92 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.861 -0.422 . . . . 72.42 109.861 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.36 70.58 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.531 -0.759 . . . . 74.52 111.249 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 46.6 t80 -66.87 -45.68 77.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.4 1.08 . . . . 73.24 111.111 174.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 97.5 mttt -65.59 -39.67 91.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.403 0.681 . . . . 71.23 111.074 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -66.76 -41.68 87.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.113 0.565 . . . . 71.45 110.407 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.77 76.77 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.773 1.229 . . . . 71.0 111.618 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -70.92 -34.43 71.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.774 1.23 . . . . 63.44 110.003 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 54.8 mt-10 -66.94 -38.17 85.66 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.723 0.809 . . . . 75.22 110.822 174.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.6 -12.66 59.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.2 -0.909 . . . . 73.11 111.78 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 t30 61.99 31.17 18.1 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.563 1.145 . . . . 64.43 110.803 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' HB2' HD13 ' A' ' 26' ' ' LEU . 46.7 mt-30 -105.08 98.76 8.42 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.217 -1.031 . . . . 72.02 108.217 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.74 -23.79 76.63 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.127 -0.942 . . . . 72.53 113.276 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.06 -40.13 80.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.097 0.559 . . . . 74.53 110.235 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 23' ' ' GLN . 71.0 mt -72.64 -46.65 52.97 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.999 0.92 . . . . 72.01 110.368 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.0 mtm -61.38 -39.16 89.67 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.491 0.716 . . . . 73.34 112.108 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.17 -45.82 68.84 Favored Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.049 -0.978 . . . . 61.32 111.734 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.63 -30.94 71.97 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.628 0.771 . . . . 74.04 110.811 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.5 57.48 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.381 0.672 . . . . 73.0 110.779 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.48 -30.41 68.29 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.043 0.937 . . . . 74.13 111.708 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.73 -47.66 80.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.502 -0.772 . . . . 73.32 109.97 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.28 -40.96 98.83 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.62 0.768 . . . . 73.02 111.166 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG21 HG21 ' A' ' 8' ' ' ILE . 81.6 mt -60.15 -43.65 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.877 0.871 . . . . 73.55 110.363 175.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.29 -36.7 93.08 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.359 -0.837 . . . . 74.43 112.817 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.92 -39.03 93.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.344 0.658 . . . . 64.33 110.438 176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.797 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 29.6 mm-40 -66.01 -47.08 75.66 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.978 -0.555 . . . . 74.51 110.717 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.594 ' HE2' HD11 ' A' ' 8' ' ' ILE . 71.3 mmtt -56.82 -41.87 78.6 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.988 0.915 . . . . 64.14 112.25 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -61.27 -40.44 94.13 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.062 0.945 . . . . 73.4 110.606 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.797 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 36.9 mtmt -65.42 -38.6 90.41 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.541 0.736 . . . . 74.25 110.569 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.536 ' HE3' ' HD2' ' A' ' 43' ' ' LYS . 79.8 mtp -73.46 -9.12 58.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.895 0.878 . . . . 72.41 111.776 -175.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.09 -0.16 83.66 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 123.442 0.464 . . . . 71.34 112.02 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.536 ' HD2' ' HE3' ' A' ' 41' ' ' MET . 45.7 mttm -87.88 55.74 3.6 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.562 1.145 . . . . 75.41 109.514 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.96 -25.63 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 113.769 -1.56 . . . . 74.33 110.793 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -59.89 -45.04 93.77 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.184 0.594 . . . . 74.32 109.83 174.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.217 -0.901 . . . . 72.52 110.433 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.07 73.23 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.686 0.795 . . . . 74.21 111.384 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.553 HD13 HG22 ' A' ' 81' ' ' VAL . 95.3 mt -52.77 -52.25 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.059 1.344 . . . . 75.13 110.474 173.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.8 -34.19 76.76 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.053 0.845 . . . . 74.33 111.977 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.74 -36.44 65.15 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.98 0.512 . . . . 74.41 111.673 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.73 -27.98 62.37 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.48 0.488 . . . . 75.52 110.609 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.58 -45.01 63.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.228 0.611 . . . . 73.11 109.461 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 57' ' ' VAL . 95.5 mtt180 -59.74 -52.19 66.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.054 0.846 . . . . 75.31 109.348 173.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.55 72.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 124.265 0.978 . . . . 73.41 111.064 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.72 -36.16 83.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.075 0.95 . . . . 72.23 111.205 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -64.86 -42.06 95.18 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.87 0.868 . . . . 75.4 110.866 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 53' ' ' ARG . 90.4 t -71.58 -39.24 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-N 115.164 -0.926 . . . . 74.25 110.223 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.21 -33.36 75.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.517 0.727 . . . . 74.24 111.44 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.28 -38.76 92.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.988 0.915 . . . . 75.35 109.871 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.27 72.37 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.212 -0.904 . . . . 65.13 111.179 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.43 -15.43 60.91 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.31 0.644 . . . . 71.21 111.566 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.1 m170 61.24 27.77 17.44 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.562 1.145 . . . . 54.43 110.97 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -82.63 90.52 6.83 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.951 -1.129 . . . . 61.01 107.951 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.01 -27.85 69.7 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.042 -0.981 . . . . 75.35 112.449 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.53 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 29.2 t70 -68.46 -44.59 74.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.191 0.596 . . . . 73.34 110.958 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.67 -35.21 51.82 Favored Glycine 0 C--N 1.334 0.445 0 O-C-N 124.043 0.839 . . . . 63.15 112.216 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.02 97.46 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.049 0.54 . . . . 74.35 110.701 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 37.8 ptt85 -72.71 -30.98 64.66 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.197 0.599 . . . . 75.34 111.023 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 12.8 ttt180 -68.81 -48.96 62.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.873 1.269 . . . . 75.41 110.02 -174.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.62 66.08 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 114.262 -1.336 . . . . 75.1 110.675 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.49 86.04 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.513 0.725 . . . . 73.12 111.883 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -73.18 -41.77 63.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.618 -0.719 . . . . 74.31 109.809 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -67.2 -28.65 68.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.527 0.731 . . . . 73.42 111.402 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.24 -51.12 70.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.512 0.725 . . . . 74.54 110.011 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -56.74 -45.01 82.22 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 124.134 0.896 . . . . 74.21 110.776 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -33.22 75.03 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.389 1.476 . . . . 64.52 111.496 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 -47.54 35.57 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.573 0.749 . . . . 63.02 110.462 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.485 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 40.0 m-85 -57.98 -24.83 59.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.443 0.697 . . . . 73.22 112.284 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -55.86 -43.12 76.8 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.102 0.961 . . . . 73.53 111.72 176.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -72.62 -32.58 66.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.867 0.867 . . . . 75.44 110.445 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.553 HG22 HD13 ' A' ' 48' ' ' ILE . 61.6 t -69.9 -27.98 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.962 0.905 . . . . 74.45 110.751 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 78' ' ' TYR . 11.9 mm-40 -61.86 -25.07 67.31 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.502 0.721 . . . . 72.51 111.575 173.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.77 0.62 36.62 Favored Glycine 0 C--N 1.342 0.862 0 CA-C-N 115.46 -0.791 . . . . 74.14 111.533 -171.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 t -91.06 84.21 5.7 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.709 -0.849 . . . . 70.32 108.709 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -98.66 -121.16 4.41 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 114.916 -1.038 . . . . 71.34 110.793 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 70.23 -22.27 0.17 Allowed 'General case' 0 N--CA 1.503 2.199 0 C-N-CA 125.334 1.454 . . . . 73.43 113.687 171.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -94.63 81.67 3.89 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.984 0.914 . . . . 73.42 108.92 -175.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.04 84.45 0.59 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 110.402 -1.079 . . . . 73.41 110.402 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.557 ' HZ3' ' HA ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -93.15 90.59 6.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.24 0.616 . . . . 72.03 110.691 -174.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.443 HG12 ' HE3' ' A' ' 89' ' ' LYS . 44.5 mm 49.67 83.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.456 1.502 . . . . 75.24 112.966 169.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -65.28 -30.14 70.97 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.182 -0.917 . . . . 73.43 111.032 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.35 81.62 1.54 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.953 0.901 . . . . 74.34 110.34 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -76.52 75.86 3.24 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 122.196 0.998 . . . . 73.1 108.833 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -100.07 86.23 3.2 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.856 -1.52 . . . . 74.44 109.187 -176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.17 95.3 0.16 Allowed Glycine 0 C--N 1.337 0.633 0 CA-C-N 114.543 -1.208 . . . . 73.23 110.608 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -76.97 83.83 3.5 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.719 0.771 . . . . 74.41 110.114 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.9 p -117.03 -8.99 11.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.794 1.238 . . . . 71.03 109.01 169.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.84 125.17 38.11 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 124.28 1.032 . . . . 73.12 108.483 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -133.76 164.66 26.74 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.486 1.114 . . . . 74.52 108.401 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.168 0 N-CA-C 108.983 -0.747 . . . . 74.43 108.983 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.02 0 N-CA-C 113.381 0.112 . . . . 72.14 113.381 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.63 -141.6 3.7 Favored Glycine 0 C--O 1.241 0.576 0 N-CA-C 111.031 -0.828 . . . . 74.04 111.031 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.556 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 18.3 m -58.82 137.34 87.06 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 123.728 0.811 . . . . 74.44 110.744 178.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.66 -28.2 85.49 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.563 2.175 . . . . 74.51 112.019 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.71 -37.04 77.77 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.636 1.175 . . . . 74.33 111.888 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HG2' ' HB2' ' A' ' 3' ' ' SER . 12.9 mm-40 -61.85 -42.68 99.34 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.107 0.563 . . . . 74.45 110.726 177.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -68.75 -40.65 79.7 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.406 0.682 . . . . 65.22 110.122 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.43 -36.31 58.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.305 1.042 . . . . 75.15 110.724 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.75 76.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.663 0.785 . . . . 71.01 111.86 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -70.6 -35.34 72.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.111 0.564 . . . . 74.32 110.322 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.67 -27.25 60.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.167 0.587 . . . . 72.25 111.31 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.94 -38.13 61.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.669 0.787 . . . . 73.21 109.76 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HB3' ' HZ3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -70.22 -36.27 74.43 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.285 -0.635 . . . . 73.24 109.285 174.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.91 78.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.106 0.562 . . . . 73.41 110.581 174.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.72 -47.24 78.99 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.644 0.778 . . . . 73.42 109.781 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 72.0 mmtt -70.52 -32.74 70.32 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.19 0.931 . . . . 74.31 111.768 -177.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -67.08 -46.28 74.75 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.542 0.526 . . . . 74.01 109.621 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.75 -27.21 67.42 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.185 -0.916 . . . . 65.02 111.809 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.08 -35.44 59.38 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.429 1.091 . . . . 73.53 111.106 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 32.2 mm-40 -71.81 -32.68 67.83 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.341 -0.39 . . . . 75.01 110.578 175.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.15 -16.02 51.29 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.667 0.787 . . . . 74.44 110.66 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.37 27.57 15.56 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.859 1.664 . . . . 75.05 111.904 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -73.44 95.68 2.26 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.555 -0.905 . . . . 75.04 108.555 173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' HA2' ' HE1' ' A' ' 27' ' ' MET . . . -55.16 -53.48 40.22 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 124.416 1.073 . . . . 70.11 113.499 -172.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HE1' ' A' ' 58' ' ' PHE . 32.6 tt0 -52.79 -46.7 67.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.054 0.942 . . . . 74.5 111.582 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -40.11 94.68 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.017 0.823 . . . . 72.24 110.003 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.509 ' HE1' ' HA2' ' A' ' 24' ' ' GLY . 56.1 mtm -61.57 -40.95 96.6 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.734 -0.666 . . . . 75.33 111.247 175.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.91 97.15 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.531 0.519 . . . . 74.31 111.838 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 87.0 mtt-85 -64.7 -38.47 91.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.27 0.628 . . . . 74.51 110.515 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.02 83.69 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.336 1.022 . . . . 73.42 110.897 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.94 -38.9 92.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.949 0.9 . . . . 74.23 111.105 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.91 -43.57 98.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.103 0.961 . . . . 72.54 110.323 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -65.24 -42.61 93.16 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.734 0.813 . . . . 73.35 111.127 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.88 -44.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.325 0.65 . . . . 75.34 109.857 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.13 98.29 Favored Glycine 0 C--N 1.348 1.227 0 O-C-N 124.38 1.05 . . . . 51.21 113.18 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.44 -40.9 88.28 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.126 0.57 . . . . 72.42 110.666 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.616 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 19.1 mt-10 -80.82 -27.05 36.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.51 0.724 . . . . 72.12 112.63 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.59 -40.35 96.73 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.118 -0.697 . . . . 73.43 109.118 170.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -62.07 -48.89 78.17 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 114.566 -1.197 . . . . 75.01 111.159 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.616 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 15.1 ptmt -68.83 -20.59 64.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.486 0.55 . . . . 73.3 112.486 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' HE2' ' HD2' ' A' ' 43' ' ' LYS . 72.6 mtm -80.59 -18.09 49.35 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.466 0.306 . . . . 72.35 111.732 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.97 1.91 67.02 Favored Glycine 0 N--CA 1.47 0.915 0 N-CA-C 111.967 -0.453 . . . . 71.51 111.967 -172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HD2' ' HE2' ' A' ' 41' ' ' MET . 89.1 mttt -91.56 54.15 2.43 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.176 -1.046 . . . . 73.21 108.176 174.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 t -76.85 -22.37 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.37 -1.286 . . . . 72.32 110.878 -170.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -57.88 -45.61 86.14 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.541 0.336 . . . . 70.23 110.18 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.72 -45.38 93.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.684 -0.689 . . . . 65.21 110.19 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.55 70.74 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 124.01 0.924 . . . . 74.31 111.796 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.8 mt -56.96 -52.35 56.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.541 0 O-C-N 124.483 1.114 . . . . 70.42 110.026 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.6 -31.91 73.34 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.919 0.762 . . . . 75.02 111.707 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.68 -35.93 67.78 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.658 0.383 . . . . 74.14 111.101 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.57 -29.25 63.37 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 123.58 0.55 . . . . 74.43 109.912 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.6 mt -73.07 -44.44 60.59 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.324 0.65 . . . . 72.33 110.365 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 57' ' ' VAL . 26.7 mtp180 -66.39 -44.58 82.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.524 0.73 . . . . 75.12 109.4 178.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.22 70.83 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 123.999 0.812 . . . . 75.43 110.925 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.62 -45.61 85.15 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 124.432 1.082 . . . . 74.41 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -59.85 -38.22 81.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.4 1.062 . . . . 74.11 110.991 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 53' ' ' ARG . 46.4 t -68.98 -43.74 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.775 -0.648 . . . . 74.31 109.83 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' HE1' ' HG3' ' A' ' 25' ' ' GLU . 50.9 m-85 -64.4 -26.95 68.68 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.905 0.482 . . . . 75.22 111.818 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.47 -35.22 75.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.423 0.689 . . . . 64.25 109.726 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.02 -36.42 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.961 0.904 . . . . 75.34 110.989 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 25.6 mm-40 -76.48 -15.85 59.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.971 0.908 . . . . 74.04 111.185 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.7 m80 66.01 21.45 11.28 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 124.652 1.181 . . . . 73.31 111.663 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.7 88.01 7.06 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.734 -0.839 . . . . 75.34 108.734 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -59.92 -32.22 70.56 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.926 0.89 . . . . 70.23 111.582 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.04 -51.46 69.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.071 0.948 . . . . 72.23 110.42 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.49 -37.3 78.45 Favored Glycine 0 C--N 1.354 1.583 0 O-C-N 123.865 0.728 . . . . 63.24 113.218 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.997 0.519 . . . . 71.24 110.692 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.07 -29.06 67.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.045 -0.979 . . . . 71.02 111.396 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -65.31 -44.76 86.84 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.542 0.737 . . . . 74.35 110.737 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.65 78.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.718 -0.674 . . . . 64.14 110.691 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -68.73 -26.85 65.46 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.698 0.799 . . . . 72.21 112.369 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -68.88 -43.21 75.77 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.727 0.811 . . . . 74.51 109.741 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -69.2 -30.93 69.22 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 114.876 -1.056 . . . . 62.44 110.955 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 71' ' ' ALA . 28.1 mt -62.1 -45.74 92.16 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.774 0.83 . . . . 73.13 111.049 172.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 t -57.59 -37.42 73.17 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.132 0.895 . . . . 63.31 111.258 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -78.27 -37.63 44.58 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.042 0.937 . . . . 74.33 111.565 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.18 93.83 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.51 0.724 . . . . 74.24 111.383 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -66.76 -24.91 66.27 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.442 0.697 . . . . 73.31 112.302 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -67.67 -42.36 82.28 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.471 0.308 . . . . 71.24 111.196 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.503 ' HB2' ' HA ' ' A' ' 86' ' ' ASP . 17.3 ptpt -83.09 -32.39 26.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.228 -0.442 . . . . 75.04 111.924 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.68 -63.02 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 122.974 0.51 . . . . 74.5 109.861 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.43 -21.46 35.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.502 -0.772 . . . . 73.01 111.879 -172.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -84.51 -18.7 61.57 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-O 119.878 -0.401 . . . . 73.4 112.359 171.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.0 m 61.92 46.99 6.27 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 124.269 1.028 . . . . 52.22 110.965 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -127.31 54.36 0.77 Allowed Glycine 0 C--N 1.346 1.117 0 N-CA-C 110.331 -1.108 . . . . 74.34 110.331 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.503 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 8.0 m-20 -76.4 91.12 3.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.835 0.854 . . . . 74.13 111.062 -171.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -101.42 127.5 48.05 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.182 -0.917 . . . . 74.42 108.597 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.91 35.32 2.73 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 123.391 0.432 . . . . 43.35 112.706 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -76.89 111.63 12.63 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.905 0.882 . . . . 71.23 108.868 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 pt -71.66 89.06 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 121.688 0.756 . . . . 72.41 109.478 172.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -68.47 110.19 4.05 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 107.848 -1.168 . . . . 74.3 107.848 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -59.69 131.54 51.23 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 124.719 1.262 . . . . 75.03 111.004 -175.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -87.19 122.03 30.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.263 0.625 . . . . 75.05 111.437 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -128.28 143.63 51.04 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.322 1.049 . . . . 73.1 109.173 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -126.08 -149.13 7.31 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 111.562 -0.615 . . . . 72.21 111.562 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -84.84 75.57 10.34 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 122.267 1.032 . . . . 72.24 108.908 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 p -76.69 -17.28 59.21 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 114.974 -1.012 . . . . 72.13 111.846 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 50.7 pt -66.8 138.28 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.146 0.579 . . . . 65.01 110.463 174.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt -108.26 -75.61 0.63 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.563 -0.532 . . . . 71.12 109.563 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 124.003 0.921 . . . . 73.35 108.77 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.578 ' HA2' ' HA ' ' A' ' 7' ' ' ASN . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 112.254 -0.338 . . . . 72.23 112.254 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.97 -89.45 0.15 Allowed Glycine 0 C--N 1.347 1.18 0 N-CA-C 111.795 -0.522 . . . . 61.31 111.795 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -63.2 135.83 96.41 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-O 117.55 -1.214 . . . . 73.44 109.405 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo -47.45 -41.35 29.26 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 123.41 2.74 . . . . 72.33 114.662 -170.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.458 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 21.6 t70 -60.35 -47.8 84.47 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.711 0.805 . . . . 73.33 111.376 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.6 -31.34 57.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.775 -1.102 . . . . 62.14 110.291 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.578 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 61.8 t30 -68.62 -26.88 65.58 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.592 1.157 . . . . 63.23 111.132 -173.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 4' ' ' PRO . 96.7 mt -52.61 -41.59 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.527 1.131 . . . . 73.24 111.608 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.75 65.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.683 0.793 . . . . 74.23 112.456 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -65.3 -46.46 80.25 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 73.54 110.418 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.14 -24.87 62.35 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.605 0.762 . . . . 73.35 111.989 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.09 -39.72 86.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.473 0.709 . . . . 72.21 110.101 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HB3' ' HZ2' ' A' ' 13' ' ' LYS . 8.4 mtpm? -76.36 -32.8 58.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.493 -0.776 . . . . 74.3 110.457 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.46 78.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.112 0.565 . . . . 73.24 109.79 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.36 -45.53 79.82 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 115.14 -0.936 . . . . 71.45 109.945 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 19' ' ' GLU . 58.6 mttm -74.05 -24.17 59.49 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.739 0.649 . . . . 73.53 112.615 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -74.44 -35.08 63.35 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.203 -1.036 . . . . 63.25 108.203 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.6 75.53 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.596 -0.729 . . . . 43.21 111.249 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.576 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 37.1 tt0 -77.01 -39.25 50.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.732 1.613 . . . . 73.24 111.652 -173.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 9.3 pt-20 -62.55 -32.85 73.87 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.051 0.453 . . . . 72.12 110.206 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 59.6 mt -90.42 -17.81 26.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.844 0.858 . . . . 74.02 110.696 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.3 m120 60.02 27.92 17.39 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.648 1.179 . . . . 70.14 112.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.472 ' HG2' ' HB2' ' A' ' 21' ' ' LEU . 18.6 mm-40 -57.05 -72.66 0.08 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.742 0.817 . . . . 74.31 111.568 -172.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.08 -92.15 0.15 Allowed Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.393 -0.821 . . . . 74.13 111.499 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 6.8 pt-20 -56.03 -31.05 62.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.061 0.944 . . . . 71.3 112.895 -166.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.96 -46.42 89.47 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.896 0.878 . . . . 72.13 110.724 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.9 mtm -59.92 -43.98 94.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.73 0.412 . . . . 75.25 110.099 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.89 93.79 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.671 0.607 . . . . 71.31 112.92 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 65.1 mtt-85 -68.79 -42.95 76.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.755 0.822 . . . . 75.22 110.003 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.49 -51.77 67.27 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.254 0.971 . . . . 64.22 110.211 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 43.8 mt -55.55 -48.42 74.77 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.574 1.171 . . . . 73.22 110.792 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.461 ' HE1' ' HA ' ' A' ' 70' ' ' ALA . 72.8 t80 -59.12 -45.83 89.89 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.534 0.734 . . . . 73.12 111.016 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.1 m-20 -67.35 -40.62 85.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.565 0.746 . . . . 73.35 111.328 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 84.9 mt -61.92 -41.9 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.046 0.539 . . . . 63.54 109.77 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.44 -38.02 95.08 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-N 115.222 -0.899 . . . . 72.14 111.814 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 96.0 mt -61.74 -45.77 92.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.081 0.553 . . . . 74.52 109.688 174.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 13.3 mm-40 -59.12 -41.15 87.51 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 123.801 0.688 . . . . 74.34 110.874 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 75.8 mmtt -62.53 -48.67 78.49 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.87 -0.604 . . . . 65.35 110.128 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -61.14 -33.62 73.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.378 1.071 . . . . 74.51 111.175 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 87.8 mttt -67.39 -39.47 85.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.864 0.866 . . . . 75.33 110.659 175.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.458 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 78.0 mtm -79.53 -6.28 56.66 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.726 0.81 . . . . 75.11 112.271 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.2 12.4 82.35 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 112.774 -0.13 . . . . 72.33 112.774 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.82 55.28 2.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.771 1.229 . . . . 75.24 109.287 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 48' ' ' ILE . 32.6 t -68.81 -25.64 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 123.578 0.751 . . . . 75.44 111.778 -169.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HE3' HG12 ' A' ' 81' ' ' VAL . 48.6 mmtm -62.7 -47.23 84.51 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.235 0.614 . . . . 75.44 110.937 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.39 -39.91 89.34 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.155 -0.929 . . . . 71.31 109.575 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.26 -46.63 72.7 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.058 0.943 . . . . 64.42 111.488 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.708 HD13 HG21 ' A' ' 81' ' ' VAL . 81.5 mt -52.96 -53.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 124.481 1.113 . . . . 72.2 110.494 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -39.23 66.35 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 124.378 1.049 . . . . 62.11 112.438 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 65.3 m-85 -73.42 -39.81 64.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.08 0.552 . . . . 71.54 111.934 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.16 -27.88 64.89 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.777 0.431 . . . . 75.14 110.897 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 85.5 mt -68.36 -48.84 63.72 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.114 -0.698 . . . . 64.53 109.114 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 57' ' ' VAL . 80.6 mtt85 -69.3 -34.14 74.24 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.112 -1.404 . . . . 75.22 110.857 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.35 -50.48 67.6 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.136 0.574 . . . . 73.31 110.155 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.32 -41.47 93.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 114.94 -1.027 . . . . 74.32 110.668 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -44.68 94.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.723 1.209 . . . . 75.54 111.503 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 53' ' ' ARG . 66.4 t -65.84 -51.95 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.553 -0.748 . . . . 74.21 110.398 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -58.98 -36.01 74.16 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.623 0.577 . . . . 74.14 111.368 177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.27 -39.9 89.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.406 0.683 . . . . 54.01 110.67 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.64 75.06 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.768 0.667 . . . . 72.24 111.32 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -87.29 -9.33 55.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.383 1.073 . . . . 74.24 111.722 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 66.78 29.05 8.7 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.838 1.255 . . . . 72.14 111.079 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.69 98.48 6.24 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.445 -1.317 . . . . 73.13 107.445 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.3 t -64.1 -40.81 97.02 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.986 -1.006 . . . . 72.33 111.865 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.86 -55.99 26.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.746 0.418 . . . . 72.11 110.54 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.22 -34.46 75.39 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 124.797 1.31 . . . . 53.12 114.632 -170.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.81 70.62 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.902 -0.407 . . . . 54.24 109.902 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -69.56 -28.88 66.36 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.795 0.838 . . . . 74.53 111.082 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -69.41 -42.27 75.26 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.175 1.39 . . . . 72.31 110.519 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HA ' ' HE1' ' A' ' 32' ' ' TYR . . . -69.71 -38.61 77.0 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 114.881 -1.054 . . . . 71.12 110.011 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.23 71.18 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 124.061 0.851 . . . . 73.14 111.676 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -71.98 -45.97 59.04 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.319 1.048 . . . . 73.53 110.609 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -69.5 -30.04 67.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.37 -0.832 . . . . 43.15 110.121 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.64 -37.01 83.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.791 0.836 . . . . 75.21 111.298 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -64.2 -34.21 77.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.55 0.34 . . . . 74.13 110.952 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 58.1 mm-40 -70.68 -47.79 58.1 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.942 0.497 . . . . 63.14 110.657 170.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.0 73.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.111 0.964 . . . . 75.15 112.147 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -62.61 -33.89 75.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.183 0.993 . . . . 75.12 112.446 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.59 -47.0 77.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.267 -0.642 . . . . 75.12 109.267 175.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 76' ' ' GLU . 49.4 mttm -68.85 -20.42 64.29 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.374 0.67 . . . . 75.44 111.432 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.708 HG21 HD13 ' A' ' 48' ' ' ILE . 39.0 t -82.16 -49.33 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.576 1.15 . . . . 72.25 111.243 177.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.55 -55.29 4.07 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.143 0.577 . . . . 63.12 112.237 -173.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.19 70.4 0.24 Allowed Glycine 0 C--N 1.344 1.011 0 C-N-CA 121.805 -0.236 . . . . 72.12 112.592 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.8 t -173.58 51.32 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.462 1.105 . . . . 74.3 108.503 173.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.05 77.89 1.97 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 111.375 -0.69 . . . . 73.14 111.375 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.06 124.25 23.25 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.671 0.789 . . . . 73.01 111.039 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -76.58 152.08 36.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.946 0.898 . . . . 70.42 110.477 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.25 -40.55 2.57 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 116.13 -0.486 . . . . 60.41 112.498 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 64.36 -178.06 0.17 Allowed 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.488 1.115 . . . . 74.12 111.576 -177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 pt -126.72 118.85 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.113 0.565 . . . . 74.11 110.121 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -77.63 -27.95 51.23 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.711 0.804 . . . . 73.44 109.063 171.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 68.65 179.21 0.24 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.68 1.592 . . . . 71.34 111.383 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt 66.77 17.95 10.63 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 124.285 1.034 . . . . 71.43 111.296 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -72.41 101.8 3.01 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.029 0.932 . . . . 75.34 109.695 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.12 138.54 8.05 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 111.579 -0.608 . . . . 63.01 111.579 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.17 117.2 16.73 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.793 0.837 . . . . 75.23 111.028 -175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m 69.27 80.69 0.18 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.599 1.16 . . . . 63.11 111.822 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.9 pt -93.48 155.42 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 115.564 -0.744 . . . . 74.22 109.981 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.5 mp 62.94 85.58 0.13 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.65 1.18 . . . . 73.44 111.022 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.381 0 C-N-CA 123.929 0.892 . . . . 74.52 110.8 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.085 -0.406 . . . . 73.04 112.085 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.45 13.45 81.71 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-O 119.981 -0.344 . . . . 55.22 112.617 -174.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -64.88 151.0 94.03 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.535 1.134 . . . . 74.01 111.742 -173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.14 -40.39 51.09 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 123.048 2.499 . . . . 54.33 114.003 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.88 -38.04 87.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.63 0.772 . . . . 74.31 111.566 176.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.13 -37.46 87.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.893 0.477 . . . . 73.23 110.377 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -69.88 -33.24 71.96 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 115.705 -0.679 . . . . 71.42 111.155 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.49 HD11 ' HE2' ' A' ' 38' ' ' LYS . 58.1 mt -52.72 -50.93 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.212 0.605 . . . . 74.53 110.143 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.39 79.69 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 124.314 1.009 . . . . 74.34 111.329 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 84.3 tttt -66.2 -38.63 88.45 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.636 0.774 . . . . 74.41 111.449 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -75.75 -24.92 56.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.338 0.655 . . . . 65.42 110.602 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 50.0 mt-10 -70.7 -31.64 68.57 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.606 0.763 . . . . 74.33 110.772 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 26.8 mtpp -63.68 -42.39 98.05 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.411 0.684 . . . . 65.21 109.445 172.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.24 -29.55 66.38 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.251 -0.886 . . . . 74.23 111.26 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -68.86 -45.72 70.34 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.164 0.986 . . . . 72.11 111.232 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mmtp -76.41 -31.99 58.26 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.468 -0.787 . . . . 75.24 111.019 -176.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.51 -43.27 85.75 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.774 -0.454 . . . . 74.44 109.774 172.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.284 1.033 . . . . 64.13 111.222 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.316 1.046 . . . . 62.11 110.731 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 28.6 mm-40 -70.0 -31.56 69.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.001 0.52 . . . . 72.34 111.17 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.78 -13.77 59.79 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.304 0.642 . . . . 74.02 110.603 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 m120 62.81 30.62 16.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.651 1.18 . . . . 73.53 111.086 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' HB2' HD13 ' A' ' 26' ' ' LEU . 73.7 mt-30 -110.4 105.73 14.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.303 -0.999 . . . . 74.14 108.303 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' ' HE1' ' A' ' 27' ' ' MET . . . -66.65 -37.88 92.81 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.321 -0.854 . . . . 71.03 113.27 -174.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.53 -36.74 69.56 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.518 0.727 . . . . 73.44 111.401 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 23' ' ' GLN . 78.2 mt -66.48 -43.25 85.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.998 0.919 . . . . 74.42 110.655 174.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.475 ' HE1' ' HA2' ' A' ' 24' ' ' GLY . 52.0 mtm -64.49 -35.22 80.22 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.622 0.769 . . . . 71.11 111.203 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.52 -45.97 80.86 Favored Glycine 0 C--N 1.347 1.152 0 N-CA-C 110.934 -0.866 . . . . 61.41 110.934 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.32 -35.25 76.86 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.537 0.735 . . . . 73.12 110.715 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.55 57.31 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.656 0.782 . . . . 64.23 111.031 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 96.3 mt -63.3 -36.36 83.42 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.627 0.771 . . . . 72.5 110.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -58.83 -49.76 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.466 1.106 . . . . 74.22 110.829 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 85.7 m-20 -66.19 -37.63 86.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.681 0.792 . . . . 72.34 111.281 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.445 HG23 HG21 ' A' ' 8' ' ' ILE . 95.1 mt -59.72 -43.16 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.776 0.83 . . . . 73.3 110.013 173.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.43 89.57 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 114.967 -1.015 . . . . 74.33 112.514 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.79 -38.77 92.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.106 0.562 . . . . 74.33 110.547 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 27.2 mm-40 -70.76 -40.79 72.47 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.883 0.74 . . . . 72.42 110.677 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE2' HD11 ' A' ' 8' ' ' ILE . 73.8 mmtt -59.77 -45.12 93.25 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.144 0.577 . . . . 74.31 110.142 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.91 -44.04 97.16 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.533 1.133 . . . . 72.25 110.836 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -74.66 -21.11 59.59 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.16 0.584 . . . . 74.43 111.605 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.6 mtp -84.32 -0.86 54.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.57 0.748 . . . . 75.13 111.706 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.54 1.98 90.56 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.276 0.36 . . . . 62.13 112.993 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -93.28 56.0 2.39 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.844 1.258 . . . . 73.1 108.702 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.2 t -65.53 -25.44 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 CA-C-N 113.217 -1.811 . . . . 73.22 111.311 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -63.48 -51.9 63.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.205 0.602 . . . . 74.02 111.091 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.02 -32.71 74.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.043 0.839 . . . . 73.34 110.774 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.67 72.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.772 0.829 . . . . 73.43 110.903 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.35 -46.11 81.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 124.884 1.274 . . . . 73.14 110.702 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -53.89 -45.51 71.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.327 1.017 . . . . 61.01 110.928 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 40.6 m-85 -73.62 -32.01 63.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.366 -0.834 . . . . 75.02 112.731 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -74.7 -28.67 60.91 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.301 0.375 . . . . 73.14 110.444 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -75.41 -41.38 56.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.464 0.706 . . . . 72.45 109.618 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.513 ' O ' HG21 ' A' ' 57' ' ' VAL . 72.1 mtt85 -70.62 -35.92 73.19 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.125 -0.943 . . . . 74.04 110.562 175.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.65 68.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.255 0.622 . . . . 62.13 110.146 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.64 -34.96 79.43 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 124.578 1.174 . . . . 72.21 110.691 -178.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.95 -47.66 77.19 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.627 0.771 . . . . 63.31 110.923 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 53' ' ' ARG . 25.2 t -70.57 -34.42 57.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.743 -0.662 . . . . 75.14 110.127 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.76 -37.82 87.39 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.123 0.569 . . . . 71.15 111.338 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.47 -33.16 72.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.408 0.683 . . . . 75.2 109.677 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.37 85.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.597 0.759 . . . . 73.14 110.637 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.85 -14.0 58.99 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.739 0.816 . . . . 72.14 111.831 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.8 m80 68.97 22.66 6.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.96 1.304 . . . . 75.12 110.463 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -88.42 101.5 13.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.538 1.135 . . . . 74.23 109.309 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.172 0.589 . . . . 75.25 111.777 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.81 -47.18 78.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.542 0.737 . . . . 74.41 110.734 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.78 -32.04 61.75 Favored Glycine 0 C--N 1.339 0.742 0 O-C-N 124.142 0.901 . . . . 75.13 112.734 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.4 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.738 0.415 . . . . 73.11 110.412 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.31 -35.11 66.02 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.227 1.011 . . . . 73.33 110.856 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -60.17 -46.23 90.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.952 0.901 . . . . 75.35 109.487 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.25 84.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 114.646 -1.161 . . . . 74.05 110.866 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.274 0.842 . . . . 71.23 113.274 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -75.61 -40.18 56.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.391 0.676 . . . . 75.5 109.585 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.6 m -70.55 -29.71 66.25 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.416 -0.811 . . . . 75.34 111.073 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -69.86 -42.91 72.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.892 0.877 . . . . 75.02 110.555 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 31.2 t -60.01 -41.79 92.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.909 0.755 . . . . 62.5 110.113 -177.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 43.4 mt-10 -65.03 -45.46 85.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.657 0.598 . . . . 74.01 111.268 171.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.58 79.73 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.112 0.882 . . . . 73.45 111.339 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -66.53 -32.46 73.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.97 0.908 . . . . 72.41 111.652 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.737 ' HB3' ' HA3' ' A' ' 85' ' ' GLY . 77.1 mt-30 -62.61 -44.03 97.33 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.374 0.67 . . . . 74.32 110.912 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 44.7 mttm -72.46 -36.54 68.51 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.803 0.841 . . . . 65.1 110.327 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.63 -56.79 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.802 1.241 . . . . 75.13 111.342 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.83 -40.34 87.94 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.061 0.85 . . . . 75.21 110.554 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 139.59 -86.9 0.2 Allowed Glycine 0 C--N 1.348 1.197 0 O-C-N 123.262 0.351 . . . . 73.12 112.635 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.0 p -78.27 78.26 4.75 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.022 0.929 . . . . 72.21 111.426 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.737 ' HA3' ' HB3' ' A' ' 79' ' ' GLN . . . -107.76 178.4 21.57 Favored Glycine 0 C--N 1.335 0.492 0 CA-C-N 115.364 -0.835 . . . . 72.14 111.451 172.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.99 167.0 22.39 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.962 0.505 . . . . 75.34 110.375 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -86.73 55.09 3.41 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 123.133 0.573 . . . . 75.51 109.585 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.23 141.39 41.08 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.046 -0.979 . . . . 73.23 112.141 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -164.28 70.54 0.2 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.63 1.172 . . . . 71.14 108.225 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.4 pt -58.34 -20.39 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 115.205 -0.907 . . . . 64.02 111.89 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -85.65 94.52 9.1 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.873 0.869 . . . . 75.12 110.393 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -95.28 103.12 14.97 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 107.186 -1.413 . . . . 75.33 107.186 167.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.0 101.35 0.84 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.748 0.419 . . . . 75.33 110.275 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -87.45 146.51 25.81 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.657 1.183 . . . . 70.24 108.797 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.03 -46.54 93.84 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 123.249 0.452 . . . . 73.3 113.778 -176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 63.46 -84.87 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.014 1.325 . . . . 64.21 112.765 175.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.9 p -92.14 84.83 5.32 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-O 121.243 0.545 . . . . 52.34 110.084 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 40.2 pt -107.1 119.76 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 108.975 -0.75 . . . . 73.14 108.975 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.75 85.19 1.66 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.873 0.869 . . . . 74.44 109.731 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 CA--C 1.547 0.845 0 C-N-CA 124.653 1.181 . . . . 75.25 109.476 -179.36 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.256 -0.738 . . . . 61.11 111.256 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.98 105.79 1.69 Allowed Glycine 0 C--N 1.351 1.395 0 CA-C-O 119.97 -0.35 . . . . 72.21 112.382 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -67.99 164.85 37.54 Favored Pre-proline 0 CA--C 1.552 1.058 0 C-N-CA 123.785 0.834 . . . . 55.43 110.934 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' HA ' HD21 ' A' ' 7' ' ' ASN . 98.4 Cg_exo -45.45 -35.89 12.68 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 123.366 2.711 . . . . 73.4 113.298 168.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.82 -47.17 86.31 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.212 1.005 . . . . 73.34 111.012 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.76 -27.29 61.93 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.888 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.433 HD21 ' HA ' ' A' ' 4' ' ' PRO . 83.4 m-20 -66.65 -38.76 87.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.011 0.524 . . . . 72.43 109.822 177.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.87 -38.33 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.141 0.976 . . . . 74.44 110.666 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.19 82.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.356 0.662 . . . . 74.24 111.312 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.04 -47.45 82.96 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.472 0.653 . . . . 74.22 109.788 172.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -70.68 -21.3 62.6 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.783 -1.099 . . . . 71.2 111.404 -174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.72 -42.15 97.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.862 0.865 . . . . 74.03 110.913 171.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -37.73 88.1 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.231 -0.655 . . . . 64.31 109.231 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.46 91.16 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.656 0.598 . . . . 74.41 111.497 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -74.29 -49.95 20.93 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.603 0.761 . . . . 75.21 111.362 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.11 -32.83 63.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.543 0.737 . . . . 74.32 111.503 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 56.8 tttp -78.3 -28.45 47.46 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 110.199 -0.297 . . . . 63.51 110.199 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.17 94.97 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.351 0.596 . . . . 73.21 110.027 169.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.93 -43.28 75.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.982 1.313 . . . . 74.13 111.576 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 14.5 pt-20 -67.15 -30.23 70.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 120.832 0.348 . . . . 64.32 110.606 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.76 -9.08 59.06 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.77 0.828 . . . . 74.11 111.531 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.59 21.25 9.49 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.337 1.455 . . . . 73.44 111.528 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.82 101.83 13.5 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.849 -0.797 . . . . 70.45 108.849 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' HA2' ' HE2' ' A' ' 27' ' ' MET . . . -63.45 -35.07 91.56 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 114.856 -1.065 . . . . 74.03 113.083 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -54.16 -41.13 68.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.591 0.756 . . . . 70.32 111.935 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.81 -37.58 67.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.966 0.906 . . . . 74.34 110.854 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.425 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 50.7 mtm -65.47 -41.11 93.72 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.557 0.536 . . . . 63.31 110.764 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.89 96.74 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.96 0.787 . . . . 72.22 111.474 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -56.45 -44.86 80.89 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.236 0.614 . . . . 74.32 110.408 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.94 73.09 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.235 0.959 . . . . 64.5 111.692 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.14 -46.34 87.67 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.136 0.974 . . . . 74.23 111.446 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -56.16 -47.13 78.82 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.271 0.982 . . . . 73.42 110.322 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -69.0 -37.46 78.72 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.602 -1.181 . . . . 73.13 110.898 -173.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.0 -37.34 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.978 0.911 . . . . 75.2 110.007 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.94 -37.29 94.68 Favored Glycine 0 C--N 1.343 0.944 0 O-C-N 123.891 0.744 . . . . 71.55 112.37 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.93 -37.61 87.7 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.984 0.514 . . . . 63.3 110.299 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.1 -36.25 66.74 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.763 -0.653 . . . . 71.13 110.908 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.706 ' HZ1' ' HE2' ' A' ' 50' ' ' TYR . 33.0 mmtp -66.86 -42.4 85.75 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.949 0.499 . . . . 72.02 110.028 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.89 -45.15 95.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.041 0.936 . . . . 75.23 110.131 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -76.33 -22.05 55.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.492 0.717 . . . . 72.52 112.004 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.4 mtp -80.98 2.42 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.429 0.691 . . . . 74.52 111.639 173.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.77 78.34 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 122.794 0.235 . . . . 73.21 112.802 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -85.19 58.26 4.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.593 1.157 . . . . 75.24 110.247 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' A' ' 80' ' ' LYS . 46.8 t -71.05 -30.34 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.691 0.796 . . . . 73.35 111.186 -173.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.0 -40.58 71.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.112 0.565 . . . . 73.43 109.941 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.25 -43.0 99.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.598 0.759 . . . . 74.13 109.907 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.6 91.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.042 0.937 . . . . 73.21 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.1 mt -53.63 -50.94 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.301 1.04 . . . . 73.21 109.983 175.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.52 -35.05 75.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.624 0.769 . . . . 64.31 111.463 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.706 ' HE2' ' HZ1' ' A' ' 38' ' ' LYS . 41.0 m-85 -69.37 -40.64 77.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.957 0.503 . . . . 70.23 111.478 175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.53 -29.99 65.39 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.381 0.426 . . . . 73.41 110.405 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 81.9 mt -70.26 -46.36 64.54 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.832 0.853 . . . . 72.13 109.638 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 57' ' ' VAL . 82.3 mtp180 -63.72 -48.59 76.44 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 124.082 0.864 . . . . 62.52 109.651 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.55 72.43 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.971 0.908 . . . . 72.13 110.821 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.92 -42.39 90.18 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.141 -0.936 . . . . 73.15 110.499 -177.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -61.81 -37.2 83.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.949 0.9 . . . . 72.5 110.906 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 53' ' ' ARG . 94.7 t -71.89 -40.18 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.291 -0.868 . . . . 65.11 110.051 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -64.16 -33.03 74.85 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.462 0.705 . . . . 74.15 110.888 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -66.73 -40.68 88.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.879 0.872 . . . . 74.44 109.323 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -27.36 64.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.363 -0.835 . . . . 74.55 111.364 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -80.31 -11.8 59.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.714 0.806 . . . . 73.24 111.048 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 64.09 24.98 13.65 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.036 0.934 . . . . 63.24 110.838 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.38 100.82 12.54 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.902 1.281 . . . . 73.2 108.587 175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 t -73.37 -31.28 63.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.349 -0.842 . . . . 75.04 110.654 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.0 -50.66 72.88 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.244 1.018 . . . . 74.43 111.014 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.93 -36.15 61.21 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 115.374 -0.83 . . . . 70.21 112.568 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.52 94.06 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.962 0.448 . . . . 72.41 111.198 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -74.03 -32.08 63.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.552 1.141 . . . . 74.2 111.448 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttp-105 -68.42 -38.34 81.14 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 73.32 110.257 176.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.51 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.226 -0.897 . . . . 71.0 110.22 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.9 74.37 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.952 0.901 . . . . 73.31 111.505 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.39 -44.74 78.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.352 0.661 . . . . 75.24 110.019 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 t -68.26 -33.93 75.26 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.412 -0.813 . . . . 63.35 110.355 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.4 -38.58 91.71 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.599 -0.728 . . . . 75.2 111.034 172.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.457 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 26.0 t -61.08 -37.27 82.09 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.132 0.573 . . . . 75.4 110.057 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.62 -40.29 61.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.67 0.788 . . . . 75.22 111.0 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.66 88.05 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.559 0.744 . . . . 72.01 111.531 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.448 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 21.9 m-85 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.889 0.476 . . . . 74.11 110.8 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 75' ' ' SER . 74.9 mt-30 -59.47 -36.38 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.34 0.59 . . . . 74.14 111.016 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' HB2' HG11 ' A' ' 44' ' ' VAL . 93.4 mttt -82.67 -6.62 59.47 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.607 -1.179 . . . . 72.45 111.831 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.1 t -119.03 -78.09 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 123.831 0.853 . . . . 73.12 109.456 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 43.8 mt-10 44.98 65.09 1.17 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.917 1.287 . . . . 70.45 112.385 -173.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -85.41 153.52 27.66 Favored Glycine 0 C--N 1.342 0.881 0 CA-C-N 115.032 -0.985 . . . . 52.03 110.748 173.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.6 m -82.05 57.34 3.48 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.557 0.743 . . . . 70.1 111.342 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.03 -21.73 79.03 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.549 -0.75 . . . . 63.32 112.339 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -66.49 -34.5 78.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.883 0.873 . . . . 74.24 110.821 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.52 -44.22 65.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.488 0.715 . . . . 75.52 110.416 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.35 -69.27 3.17 Favored Glycine 0 C--N 1.35 1.345 0 O-C-N 123.828 0.705 . . . . 75.02 111.419 -174.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.547 ' H ' ' HD3' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -113.24 161.35 17.3 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.509 1.524 . . . . 72.23 108.338 176.26 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.2 pt -103.45 8.69 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.189 0.595 . . . . 74.11 111.759 -174.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 80.5 t80 65.31 89.54 0.1 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.488 1.115 . . . . 73.52 109.932 -174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -81.48 118.14 22.48 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.849 -0.614 . . . . 74.53 110.317 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -115.66 -32.05 5.64 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.128 0.971 . . . . 72.21 108.548 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -101.18 130.01 47.19 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.663 1.185 . . . . 75.04 108.396 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.63 110.75 3.68 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-O 119.214 -0.77 . . . . 72.13 113.04 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 64.8 -80.5 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.722 1.209 . . . . 74.24 111.454 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.1 t -161.29 5.69 0.07 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.203 1.001 . . . . 75.41 110.058 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.1 pt -104.27 168.1 2.54 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 C-N-CA 123.66 0.784 . . . . 74.35 109.922 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.24 -171.06 1.8 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.49 0.716 . . . . 73.33 110.617 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 CA--C 1.556 1.183 0 C-N-CA 124.247 1.019 . . . . 62.15 111.26 -178.064 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.836 0 N-CA-C 111.966 -0.454 . . . . 74.05 111.966 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.24 -168.68 29.93 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.857 0.386 . . . . 61.43 112.644 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.1 p -71.4 144.15 88.83 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.531 0.732 . . . . 73.31 110.515 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.31 -29.01 28.59 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 123.613 2.876 . . . . 75.45 115.794 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.562 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 t70 -69.81 -23.3 63.3 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.286 0.476 . . . . 74.31 112.286 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.19 -36.88 61.38 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.051 0.54 . . . . 75.41 109.689 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.586 -0.734 . . . . 64.43 109.714 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 5' ' ' ASP . 80.1 mt -60.7 -42.23 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.547 1.139 . . . . 74.34 111.589 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -31.59 67.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.263 0.625 . . . . 74.22 111.229 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -75.17 -44.15 48.36 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.057 0.943 . . . . 72.14 110.72 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.65 -24.88 64.59 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.633 0.773 . . . . 75.45 111.612 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -41.74 47.69 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.839 1.255 . . . . 71.3 108.284 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -68.95 -32.39 71.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.557 -0.747 . . . . 74.43 110.307 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.12 61.3 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.024 0.929 . . . . 75.31 110.71 175.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.59 -46.39 63.54 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.981 0.912 . . . . 75.31 110.056 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.4 mmtm -65.47 -35.36 80.68 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.196 0.935 . . . . 73.4 111.196 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -67.15 -46.5 73.87 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.075 0.95 . . . . 74.35 109.77 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.36 75.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.605 1.162 . . . . 74.11 111.256 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.18 -35.76 66.45 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.872 1.269 . . . . 74.41 109.464 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 44.0 mm-40 -63.25 -38.27 90.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.15 0.58 . . . . 71.11 110.706 174.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.65 -15.24 59.32 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.063 -0.971 . . . . 74.21 111.34 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.85 24.5 14.6 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.996 1.318 . . . . 64.41 110.464 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -96.87 99.85 11.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.905 . . . . 74.44 109.397 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.84 -22.63 78.69 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 115.148 -0.933 . . . . 64.21 114.728 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.32 -47.45 86.0 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.241 -0.651 . . . . 74.25 109.241 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.46 -45.27 93.82 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.712 -1.131 . . . . 74.35 110.894 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -62.43 -40.58 97.03 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.545 0.738 . . . . 74.14 111.816 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.62 75.49 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.234 -0.894 . . . . 54.03 111.36 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.19 -31.73 73.05 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.611 0.765 . . . . 71.54 110.691 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.31 66.32 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.612 0.765 . . . . 62.44 110.27 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.27 -33.41 75.26 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.004 0.922 . . . . 74.14 111.621 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 45.8 t80 -65.84 -45.05 83.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.493 0.717 . . . . 73.02 109.079 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 93.9 m-20 -66.13 -45.33 81.44 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.98 0.8 . . . . 75.24 111.006 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 90.4 mt -56.2 -41.67 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.338 0.655 . . . . 74.23 109.75 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.32 89.04 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.092 0.87 . . . . 64.15 112.717 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 90.0 mt -59.54 -37.32 78.09 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.585 0.754 . . . . 72.52 110.311 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 25.7 mm-40 -66.84 -47.91 70.49 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.029 0.831 . . . . 75.42 110.391 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 72.6 mmtt -57.17 -38.89 74.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.011 0.434 . . . . 74.51 110.563 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -64.6 -46.91 80.65 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.617 1.167 . . . . 74.34 110.149 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -76.65 -16.4 59.56 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.346 0.659 . . . . 71.24 111.983 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 90.4 mtp -74.74 -22.35 58.85 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.972 0.509 . . . . 74.52 110.594 171.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.24 -17.5 40.57 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.127 -0.488 . . . . 70.51 112.248 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -87.66 64.23 7.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.087 0.946 . . . . 75.23 109.954 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.63 -25.25 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 113.72 -1.582 . . . . 71.03 110.828 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -40.82 91.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.788 1.235 . . . . 73.41 110.917 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.69 -38.94 70.51 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.154 0.582 . . . . 64.21 110.148 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -41.65 67.66 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.507 1.123 . . . . 75.04 111.375 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.424 HD13 HG23 ' A' ' 81' ' ' VAL . 84.9 mt -52.28 -54.29 15.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 O-C-N 124.885 1.366 . . . . 70.34 111.27 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.44 -34.08 74.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.47 0.708 . . . . 72.43 111.961 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -73.59 -34.07 64.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.259 0.624 . . . . 71.35 112.393 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.83 -29.26 58.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.598 0.359 . . . . 74.31 110.389 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.31 -44.5 71.64 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.625 0.77 . . . . 73.42 109.296 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 57' ' ' VAL . 66.1 mtt-85 -66.49 -47.93 71.45 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 114.621 -1.172 . . . . 74.45 110.257 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.47 72.22 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.143 0.902 . . . . 72.11 111.206 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.92 -34.79 78.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.373 1.069 . . . . 74.11 111.567 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.53 -39.2 70.88 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.922 0.889 . . . . 73.23 111.021 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 53' ' ' ARG . 50.0 t -69.63 -38.63 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 109.185 -0.672 . . . . 75.23 109.185 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.28 -29.89 69.62 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.712 0.805 . . . . 75.45 111.697 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.82 -40.18 83.83 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.114 -0.698 . . . . 62.11 109.114 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.64 90.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.316 0.647 . . . . 65.52 110.644 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 12.1 mm-40 -76.93 -16.3 59.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.671 -0.695 . . . . 74.53 111.977 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 m80 60.81 26.74 16.56 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.571 1.149 . . . . 75.22 110.177 -173.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.67 101.22 10.69 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.315 1.046 . . . . 63.13 108.711 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 t -66.95 -29.63 69.54 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.313 -0.858 . . . . 65.01 112.114 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.5 -59.41 5.28 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.229 0.612 . . . . 62.43 110.695 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.23 -32.27 65.59 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 124.236 0.96 . . . . 64.34 113.416 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.49 97.35 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.54 0.336 . . . . 74.2 110.451 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -73.06 -30.52 63.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.441 0.697 . . . . 71.21 111.246 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -60.24 -48.61 81.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.582 0.753 . . . . 74.31 110.445 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.46 -34.42 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 114.926 -1.034 . . . . 73.52 110.638 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.66 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.56 0.744 . . . . 65.11 111.678 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -67.09 -48.45 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.418 1.087 . . . . 72.32 109.271 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -68.69 -29.93 68.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.294 -0.866 . . . . 74.11 110.879 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.44 -45.48 87.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.916 0.886 . . . . 74.11 110.743 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 t -59.63 -39.33 83.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.632 0.373 . . . . 74.45 110.326 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.03 -37.8 75.7 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.97 0.508 . . . . 63.43 110.128 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.57 81.2 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.929 0.892 . . . . 75.34 111.226 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.262 0.625 . . . . 75.42 111.745 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -68.91 -28.32 66.56 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.676 0.39 . . . . 72.32 110.981 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.43 -44.8 16.97 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.273 0.629 . . . . 73.24 110.865 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG23 HD13 ' A' ' 48' ' ' ILE . 69.3 t -64.84 -43.66 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.116 0.966 . . . . 71.32 110.53 -178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -104.66 34.91 2.94 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.191 0.996 . . . . 71.54 110.256 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.63 67.93 2.54 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 116.25 -0.432 . . . . 74.24 112.621 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.8 m -74.77 -40.56 61.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.989 0.915 . . . . 64.22 109.897 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.17 29.71 11.86 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 114.799 -1.091 . . . . 54.1 112.166 174.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -84.88 170.9 12.66 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.96 0.904 . . . . 73.12 109.155 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.53 -31.57 72.78 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.53 0.732 . . . . 65.54 110.965 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.34 -70.1 2.24 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 115.416 -0.811 . . . . 43.35 112.197 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -120.65 131.05 54.39 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.741 0.816 . . . . 74.33 109.728 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.5 pt -134.08 108.15 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.553 1.141 . . . . 75.31 108.783 171.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -79.54 72.83 6.22 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 107.457 -1.312 . . . . 74.33 107.457 170.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -142.36 169.54 17.4 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.57 1.548 . . . . 75.3 108.721 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -125.53 78.38 1.73 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.942 -1.133 . . . . 73.33 107.942 171.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.54 140.79 37.48 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.632 -1.167 . . . . 63.13 107.991 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.64 44.97 4.42 Favored Glycine 0 C--N 1.344 0.986 0 N-CA-C 111.19 -0.764 . . . . 75.54 111.19 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.64 134.07 46.11 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.815 0.846 . . . . 75.44 111.426 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.6 m -72.05 109.91 6.17 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.29 0.636 . . . . 74.22 109.44 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.55 119.34 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 N-CA-C 108.529 -0.915 . . . . 72.31 108.529 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.62 -30.76 66.14 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.639 0.775 . . . . 74.33 111.255 -171.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 124.131 0.972 . . . . 73.02 109.265 175.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.446 -0.262 . . . . 62.33 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.36 166.89 25.67 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 111.116 -0.794 . . . . 61.22 111.116 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.4 p -67.19 150.09 98.1 Favored Pre-proline 0 N--CA 1.473 0.714 0 CA-C-O 118.834 -0.603 . . . . 72.0 110.172 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' O ' HG13 ' A' ' 8' ' ' ILE . 9.9 Cg_endo -50.76 -32.27 36.01 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.998 2.465 . . . . 73.34 112.642 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 8' ' ' ILE . 34.6 t70 -58.69 -43.61 90.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.361 1.064 . . . . 72.14 111.376 174.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -69.43 -38.18 77.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.254 0.622 . . . . 74.24 111.548 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -66.03 -30.74 71.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.816 0.447 . . . . 71.12 111.479 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.8 mt -52.96 -43.43 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 124.341 1.056 . . . . 72.34 111.161 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.55 74.61 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 124.183 0.927 . . . . 72.05 111.998 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.64 -39.93 88.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.02 0.928 . . . . 75.43 110.66 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.3 -28.45 65.2 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.994 -0.548 . . . . 74.12 110.868 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 52.5 mt-10 -73.97 -33.53 63.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.446 0.698 . . . . 75.3 110.919 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -69.14 -37.29 78.2 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.988 0.423 . . . . 72.24 109.918 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.48 66.53 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.982 -1.008 . . . . 63.33 110.828 174.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.45 -43.87 59.36 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.628 1.171 . . . . 71.43 111.199 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 34.3 mmtp -76.48 -33.21 58.68 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.878 0.471 . . . . 74.42 111.146 -176.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -67.84 -44.71 76.57 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 109.442 -0.577 . . . . 74.32 109.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.26 70.29 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.845 0.858 . . . . 52.12 111.304 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.28 -48.82 79.64 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.857 1.263 . . . . 73.43 111.787 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.19 -19.72 61.04 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.574 0.349 . . . . 73.03 111.306 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.7 -9.39 58.88 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.555 0.742 . . . . 74.3 111.191 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 t30 66.21 19.96 11.09 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.137 1.375 . . . . 73.4 110.822 -176.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -93.1 89.79 6.62 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.904 -0.776 . . . . 74.45 108.904 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.55 -22.61 76.64 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 114.724 -1.125 . . . . 74.02 113.21 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.517 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 7.0 pt-20 -61.73 -43.91 97.94 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 109.749 -0.463 . . . . 75.21 109.749 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.8 -42.89 97.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.092 0.957 . . . . 74.23 110.23 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 mtm -62.93 -36.74 84.42 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.698 0.624 . . . . 74.54 111.713 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.57 -43.75 75.33 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.323 -0.711 . . . . 62.24 111.323 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 24.0 mtt-85 -66.56 -33.6 76.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.392 0.677 . . . . 75.33 109.969 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -51.86 65.51 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.155 0.909 . . . . 75.23 110.207 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.9 mt -64.01 -34.89 79.04 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.891 0.745 . . . . 72.2 111.197 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -62.82 -47.79 81.89 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.537 0.735 . . . . 75.41 109.945 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 91.0 m-20 -67.94 -41.68 82.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.311 0.645 . . . . 75.21 111.092 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.5 mt -58.62 -41.08 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.46 0.704 . . . . 72.12 109.958 174.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.36 97.2 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.289 -0.869 . . . . 60.12 111.937 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.0 mt -64.47 -35.76 81.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.306 0.642 . . . . 74.22 111.048 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' HA ' ' HZ1' ' A' ' 40' ' ' LYS . 17.0 mm-40 -65.58 -43.22 90.43 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.48 0.487 . . . . 75.42 110.457 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HE2' HD11 ' A' ' 8' ' ' ILE . 5.2 mptp? -60.76 -44.2 97.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.875 0.87 . . . . 74.55 110.072 174.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -63.26 -35.59 80.84 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 124.257 0.973 . . . . 73.44 110.721 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.543 ' HZ1' ' HA ' ' A' ' 37' ' ' GLU . 34.5 mtmm -71.75 -30.39 65.55 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.29 0.636 . . . . 74.12 111.295 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.446 ' HE2' ' HD2' ' A' ' 43' ' ' LYS . 77.4 mtm -81.53 -4.11 55.07 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.03 0.532 . . . . 73.34 111.3 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.96 88.06 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 120.064 -0.298 . . . . 72.24 112.977 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HD2' ' HE2' ' A' ' 41' ' ' MET . 92.4 mttt -89.54 62.29 5.87 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.056 1.342 . . . . 74.55 108.799 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 t -72.02 -27.01 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.35 -1.295 . . . . 71.31 112.007 -166.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.649 ' HE3' HG11 ' A' ' 81' ' ' VAL . 10.7 mptt -63.97 -42.16 97.32 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 110.338 -0.245 . . . . 74.21 110.338 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.43 -43.43 94.35 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.81 0.694 . . . . 74.04 110.327 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.9 -44.24 70.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.076 0.951 . . . . 64.21 110.843 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.608 HD13 HG23 ' A' ' 81' ' ' VAL . 96.6 mt -56.41 -48.71 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.898 1.279 . . . . 73.43 111.295 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.37 -47.13 76.25 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.326 1.016 . . . . 72.44 110.326 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 57.2 m-85 -66.3 -39.13 89.13 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.186 0.929 . . . . 75.14 112.364 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.65 -29.61 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.382 0.426 . . . . 75.21 110.922 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.13 -43.02 59.05 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.54 0.736 . . . . 74.4 110.323 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 57' ' ' VAL . 75.6 mtt180 -66.51 -46.96 74.49 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.43 -0.804 . . . . 74.54 109.581 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.02 75.43 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.671 1.232 . . . . 74.1 110.562 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.17 -39.77 91.39 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.499 1.125 . . . . 75.14 111.725 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HZ2' ' HB2' ' A' ' 56' ' ' LYS . 4.1 ttmp? -68.94 -45.76 69.95 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.243 0.617 . . . . 74.42 110.977 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 53' ' ' ARG . 46.8 t -66.99 -32.37 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 C-N-CA 123.519 0.728 . . . . 74.13 110.144 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -67.22 -45.55 76.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.186 0.994 . . . . 72.42 110.244 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.16 -40.27 85.07 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.983 0.913 . . . . 64.44 111.439 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.53 79.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.184 -0.916 . . . . 71.02 111.184 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 12.2 mm-40 -85.75 -7.93 58.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 74.31 112.045 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.2 m80 64.76 24.24 12.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 124.527 1.131 . . . . 71.02 111.283 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.37 70.44 10.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.9 1.28 . . . . 72.13 107.576 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -73.43 -31.66 63.95 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.301 -0.863 . . . . 74.24 112.772 -166.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.77 -32.05 65.35 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.706 0.402 . . . . 74.4 110.772 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.23 86.16 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.441 -0.663 . . . . 71.01 111.441 172.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.91 83.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.926 0.89 . . . . 54.12 111.116 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -70.6 -34.07 71.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.546 1.539 . . . . 73.11 110.948 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -75.5 -35.1 60.86 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 73.44 109.975 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.71 94.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 115.703 -0.68 . . . . 73.44 109.561 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.438 ' HA ' HD11 ' A' ' 74' ' ' LEU . . . -72.19 -30.27 64.79 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.265 1.026 . . . . 75.4 111.79 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.59 -37.25 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.423 0.689 . . . . 74.13 110.231 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -71.46 -31.09 66.77 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.485 -0.78 . . . . 73.14 109.452 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 71' ' ' ALA . 14.5 mt -62.79 -52.39 63.38 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.177 0.991 . . . . 72.11 111.302 175.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.7 p -59.52 -38.78 81.87 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.616 0.572 . . . . 71.44 111.46 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HA ' HE21 ' A' ' 79' ' ' GLN . 0.8 OUTLIER -67.78 -34.95 77.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.494 1.118 . . . . 75.01 111.335 174.387 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.61 63.63 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.949 0.9 . . . . 72.5 111.732 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -61.31 -30.86 70.76 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.494 0.718 . . . . 75.35 112.064 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HB3' ' HA3' ' A' ' 85' ' ' GLY . 34.7 mt-30 -60.8 -35.78 77.34 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.414 0.686 . . . . 74.15 110.966 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -74.15 -34.39 63.83 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.008 -0.996 . . . . 74.51 110.411 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.649 HG11 ' HE3' ' A' ' 45' ' ' LYS . 57.2 t -69.56 -35.09 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 124.26 1.024 . . . . 75.43 110.669 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -83.62 3.48 32.6 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.287 -0.869 . . . . 73.42 111.693 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.88 -82.26 1.7 Allowed Glycine 0 C--N 1.349 1.296 0 CA-C-N 116.268 -0.423 . . . . 75.42 112.098 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.3 p -76.71 110.27 11.16 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.937 0.495 . . . . 74.51 109.789 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' HB3' ' A' ' 79' ' ' GLN . . . -151.99 -154.89 6.79 Favored Glycine 0 C--N 1.335 0.475 0 N-CA-C 111.226 -0.75 . . . . 74.2 111.226 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.94 148.29 46.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.947 0.499 . . . . 75.03 109.821 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -21.82 59.71 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 117.663 0.21 . . . . 72.21 111.207 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.48 56.44 2.01 Favored Glycine 0 C--N 1.346 1.117 0 N-CA-C 112.451 -0.26 . . . . 73.23 112.451 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.27 79.97 8.6 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 107.609 -1.256 . . . . 74.04 107.609 173.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.0 mm -119.05 117.36 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 114.994 -1.003 . . . . 73.55 108.515 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -67.74 148.3 51.46 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 108.962 -0.755 . . . . 75.31 108.962 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -90.11 100.96 13.68 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.47 0.708 . . . . 74.03 109.442 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -85.83 115.7 23.63 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.293 -0.632 . . . . 72.23 109.293 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.19 135.12 38.49 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.828 0.451 . . . . 75.42 110.561 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.66 -157.19 23.35 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.622 -0.263 . . . . 75.2 112.638 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.467 ' HG2' HG23 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -134.73 -21.07 1.73 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.428 1.091 . . . . 71.11 110.124 -177.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.9 t 69.39 29.89 4.31 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.127 1.371 . . . . 54.24 112.3 170.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.467 HG23 ' HG2' ' A' ' 96' ' ' GLU . 28.3 pt -84.86 164.99 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 122.494 0.317 . . . . 73.03 110.323 175.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 pp -140.8 150.49 43.4 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.463 0.705 . . . . 74.23 109.963 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--O 1.249 1.073 0 N-CA-C 108.533 -0.914 . . . . 72.01 108.533 167.505 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 112.071 -0.412 . . . . 61.23 112.071 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.59 39.77 0.02 OUTLIER Glycine 0 C--N 1.338 0.641 0 N-CA-C 110.745 -0.942 . . . . 62.24 110.745 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -59.64 150.21 67.69 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.478 1.111 . . . . 74.1 111.792 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.89 -28.19 66.82 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.687 2.258 . . . . 74.02 113.072 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.35 -40.29 85.95 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.22 1.008 . . . . 73.32 112.013 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.37 -33.71 69.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.907 0.883 . . . . 72.24 110.739 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.4 -42.23 92.82 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.519 -0.764 . . . . 74.54 111.09 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.52 -48.12 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.732 0.813 . . . . 74.34 110.612 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.64 68.52 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.347 0.659 . . . . 74.21 111.843 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -74.99 -37.61 61.82 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.165 0.986 . . . . 71.14 111.342 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.48 -29.78 66.4 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.489 0.315 . . . . 75.45 110.679 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.54 -34.68 70.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.542 0.737 . . . . 72.14 111.051 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -71.81 -39.55 69.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.185 0.594 . . . . 71.03 110.254 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.27 -27.74 60.88 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.257 -0.883 . . . . 74.22 111.101 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -58.45 -49.47 77.21 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.549 1.14 . . . . 72.01 111.184 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -30.9 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.826 . . . . 64.31 112.087 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -61.52 -43.59 98.59 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.099 0.56 . . . . 74.05 110.155 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.69 65.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.423 -0.808 . . . . 64.13 111.52 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.87 -41.66 78.07 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.007 0.923 . . . . 73.53 111.578 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.05 -27.72 61.06 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.506 -0.77 . . . . 74.12 111.013 -178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -85.75 -4.74 59.24 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.736 0.814 . . . . 74.44 111.096 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER 65.19 21.44 12.11 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.095 1.358 . . . . 60.33 111.58 177.495 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.533 ' HB3' HD11 ' A' ' 26' ' ' LEU . 77.0 mt-30 -82.86 79.51 9.21 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.402 1.081 . . . . 74.11 108.66 175.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.77 -29.6 75.72 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.226 -0.897 . . . . 74.23 113.108 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.83 -44.66 82.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.222 1.009 . . . . 75.32 111.295 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 23' ' ' GLN . 6.4 mp -75.56 -28.04 58.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.708 0.803 . . . . 65.01 111.611 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.1 mtm -68.27 -37.61 80.9 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.171 0.589 . . . . 72.11 110.733 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.83 -40.98 89.39 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-N 115.529 -0.759 . . . . 73.01 111.273 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.23 -38.47 83.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.045 0.938 . . . . 75.21 110.568 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.29 58.04 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 122.925 0.49 . . . . 61.24 111.191 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.66 -33.18 75.08 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.844 0.715 . . . . 73.13 111.392 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -63.13 -49.0 76.14 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.384 0.674 . . . . 73.14 110.149 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.7 m-20 -66.99 -33.23 75.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.153 -0.931 . . . . 61.23 111.52 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.26 -43.76 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.318 0.647 . . . . 71.23 109.775 172.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.68 -36.86 93.86 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 124.027 0.829 . . . . 54.2 112.319 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.2 mt -62.1 -45.61 92.72 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.456 0.702 . . . . 73.34 109.801 174.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 8.8 mm-40 -65.34 -36.89 85.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.684 0.615 . . . . 71.43 111.797 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -63.44 -44.04 95.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.919 0.487 . . . . 74.21 110.212 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.59 -40.87 96.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.023 0.929 . . . . 73.31 110.123 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 74.0 mmtt -61.47 -39.74 91.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.754 0.822 . . . . 72.42 111.361 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -84.4 -3.57 58.4 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.483 -0.781 . . . . 71.01 111.704 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.39 7.23 86.81 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.724 -0.486 . . . . 74.02 113.829 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -84.89 66.2 9.58 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 107.551 -1.277 . . . . 75.35 107.551 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 80' ' ' LYS . 47.6 t -74.11 -26.98 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 114.807 -1.088 . . . . 74.22 112.148 -167.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -68.89 -44.15 73.81 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.908 -0.405 . . . . 73.3 109.908 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.55 -28.66 67.16 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 123.804 0.69 . . . . 75.5 110.652 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.39 81.85 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.852 0.72 . . . . 60.04 110.515 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.57 -48.91 82.12 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 124.819 1.324 . . . . 72.42 111.256 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.19 -44.0 87.82 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.986 0.803 . . . . 74.45 110.679 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.35 -32.27 64.43 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.808 0.67 . . . . 75.51 112.808 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -69.49 -32.03 70.66 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 118.011 0.369 . . . . 75.4 110.786 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.9 -45.25 61.91 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 124.126 0.891 . . . . 72.11 109.513 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' O ' HG21 ' A' ' 57' ' ' VAL . 96.1 mtt180 -63.65 -43.57 96.39 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.12 0.887 . . . . 74.3 110.381 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.54 81.3 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 123.815 0.697 . . . . 72.33 111.197 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.81 1.318 . . . . 64.51 110.556 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.96 -41.88 98.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.592 1.157 . . . . 74.44 110.916 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 53' ' ' ARG . 41.1 t -73.85 -37.21 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.682 -0.69 . . . . 71.22 110.262 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -59.83 -36.91 77.79 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.353 0.661 . . . . 64.01 111.67 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.92 -39.22 93.18 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.126 0.57 . . . . 75.22 110.584 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.18 76.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.786 0.834 . . . . 75.01 110.968 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -76.04 -14.23 60.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.59 0.756 . . . . 75.44 111.578 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 67.41 21.17 9.77 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.891 1.276 . . . . 74.54 111.582 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.77 81.93 6.89 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.881 -1.155 . . . . 74.54 107.881 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.0 t -67.24 -29.91 69.67 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.349 -1.296 . . . . 73.33 111.229 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.85 -49.48 65.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.876 0.47 . . . . 74.22 110.438 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.61 -36.63 93.38 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.905 -0.589 . . . . 60.11 112.899 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -42.43 91.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.187 0.595 . . . . 72.34 112.384 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 64' ' ' THR . 95.9 mtt180 -65.55 -34.96 79.48 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.706 0.403 . . . . 75.45 110.762 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -70.37 -34.57 72.75 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.828 0.851 . . . . 73.25 110.411 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.02 73.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.393 0.677 . . . . 63.22 110.605 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -73.94 -26.27 60.41 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.189 0.931 . . . . 73.42 111.527 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -43.48 65.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.988 -0.745 . . . . 70.54 108.988 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 m -67.14 -30.23 70.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.586 0.754 . . . . 73.24 111.637 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 71' ' ' ALA . 16.3 mt -60.67 -45.37 94.42 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.436 0.695 . . . . 75.34 110.698 169.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m -56.88 -36.4 70.06 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.682 0.614 . . . . 75.15 111.616 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 25.8 mm-40 -70.47 -41.62 72.53 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.134 0.896 . . . . 73.3 110.78 176.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.15 82.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.441 0.696 . . . . 75.5 112.078 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -64.5 -23.5 67.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.19 0.596 . . . . 74.14 111.632 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 76' ' ' GLU . 72.8 mt-30 -60.62 -44.0 96.82 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.023 0.529 . . . . 64.3 111.314 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.578 ' HB2' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -79.81 -35.23 38.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.618 0.367 . . . . 75.13 111.118 -178.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.04 -51.25 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.719 0.808 . . . . 74.01 111.504 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -83.11 0.35 45.48 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.271 0.629 . . . . 73.34 110.853 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.65 80.38 0.06 OUTLIER Glycine 0 C--N 1.359 1.845 0 O-C-N 123.586 0.554 . . . . 70.54 113.155 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.1 p -97.71 67.06 1.98 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.13 0.972 . . . . 73.24 110.254 -176.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.77 -35.62 31.23 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 114.88 -1.054 . . . . 71.45 112.802 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -87.74 -44.26 11.28 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.92 0.488 . . . . 70.41 110.073 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 63.43 107.97 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.862 1.265 . . . . 75.45 110.994 -176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.71 116.76 9.74 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 119.533 -0.593 . . . . 71.14 112.393 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -59.85 103.83 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.393 0.677 . . . . 73.24 110.87 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.3 mp 50.52 56.16 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 CA-C-O 123.141 1.448 . . . . 73.12 108.867 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -78.71 126.33 30.59 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 114.005 -1.452 . . . . 75.44 108.022 171.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 69.4 113.04 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.737 1.215 . . . . 74.11 110.511 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -117.99 5.99 12.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.791 0.837 . . . . 74.02 110.094 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 97' ' ' SER . 44.2 mt-10 76.34 -30.3 0.18 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.934 1.694 . . . . 74.34 112.422 -175.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.78 -86.78 0.45 Allowed Glycine 0 C--N 1.354 1.546 0 CA-C-N 117.698 0.227 . . . . 74.44 112.927 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.86 -32.72 59.85 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.68 0.792 . . . . 74.44 110.478 175.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 94' ' ' GLU . 50.7 m 67.8 171.11 0.27 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.6 1.16 . . . . 74.25 111.951 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.1 mt -73.54 92.48 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 115.78 -0.645 . . . . 73.04 109.59 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.6 mp 62.5 82.97 0.16 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.773 1.229 . . . . 75.2 110.509 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 CA--C 1.554 1.123 0 CA-C-O 118.917 -0.563 . . . . 75.14 109.861 -178.72 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.824 -0.51 . . . . 73.11 111.824 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.88 44.81 0.02 OUTLIER Glycine 0 C--N 1.342 0.9 0 N-CA-C 112.325 -0.31 . . . . 71.0 112.325 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 73.6 m -69.03 134.51 89.65 Favored Pre-proline 0 N--CA 1.471 0.599 0 CA-C-O 118.667 -0.682 . . . . 74.24 110.268 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.446 ' O ' HG13 ' A' ' 8' ' ' ILE . 51.3 Cg_exo -54.76 -33.72 81.79 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.349 2.699 . . . . 71.3 114.481 -171.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -69.92 -37.56 75.98 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.505 0.722 . . . . 73.14 111.265 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -74.13 -27.11 60.7 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.972 -0.558 . . . . 73.34 109.978 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -72.37 -39.86 67.74 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.397 -0.82 . . . . 72.43 109.626 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 34' ' ' ILE . 75.5 mt -57.76 -47.52 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.142 0.977 . . . . 75.25 109.898 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -59.62 -37.42 78.57 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 124.334 1.021 . . . . 72.14 111.324 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.24 -42.76 88.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.014 0.926 . . . . 73.02 110.968 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.41 -26.16 61.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.875 0.47 . . . . 74.34 110.724 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.19 -28.78 65.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.166 0.986 . . . . 71.54 111.576 176.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 87.6 mttt -68.45 -48.38 64.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.509 -0.552 . . . . 74.33 109.509 173.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.28 -27.94 68.32 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.832 -1.076 . . . . 75.2 111.417 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -70.32 -55.66 8.63 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.942 0.897 . . . . 75.54 110.784 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -77.13 -25.74 52.43 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.412 -0.813 . . . . 75.41 112.095 -173.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -70.81 -41.3 71.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.466 -0.568 . . . . 72.04 109.466 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.49 68.95 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.337 0.398 . . . . 74.44 111.004 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.49 -47.7 77.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.664 0.786 . . . . 61.14 109.625 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -60.62 -39.84 89.7 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 114.205 -1.361 . . . . 74.22 110.347 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.68 -9.64 59.28 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.27 0.628 . . . . 73.02 111.928 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 64.69 26.62 13.14 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.316 1.046 . . . . 62.55 111.451 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.507 ' HB3' HD12 ' A' ' 26' ' ' LEU . 20.9 mm-40 -84.13 91.71 7.74 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.39 1.476 . . . . 75.31 108.606 172.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.11 -52.28 50.96 Favored Glycine 0 C--N 1.342 0.889 0 O-C-N 123.253 0.345 . . . . 75.12 112.855 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.701 ' HG3' HD13 ' A' ' 26' ' ' LEU . 7.1 pt-20 -53.12 -40.63 64.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.459 1.103 . . . . 72.12 112.292 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' A' ' 25' ' ' GLU . 4.7 mp -69.08 -32.39 71.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.904 0.481 . . . . 75.3 111.831 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.3 mtm -67.36 -41.35 85.24 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 123.305 0.378 . . . . 74.51 110.725 172.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.99 -37.61 94.15 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 115.595 -0.73 . . . . 54.21 112.308 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 40.3 mtm180 -59.33 -47.45 85.35 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.203 0.601 . . . . 74.22 109.826 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.19 -46.71 85.32 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.665 1.228 . . . . 54.41 111.157 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 53' ' ' ARG . 70.4 mt -62.7 -42.55 99.7 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.88 0.738 . . . . 72.11 111.269 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.23 -43.84 98.23 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.041 0.937 . . . . 74.51 110.707 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -39.17 64.09 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.716 0.807 . . . . 75.31 111.415 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 8' ' ' ILE . 96.8 mt -63.16 -35.54 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.526 0.73 . . . . 74.4 109.659 172.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.11 99.07 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.301 -0.863 . . . . 71.4 112.019 172.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.25 -33.16 75.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.27 0.628 . . . . 73.03 110.945 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -68.35 -40.86 81.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.918 0.487 . . . . 72.23 110.841 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.08 -39.64 90.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.019 0.528 . . . . 73.43 110.319 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -64.68 -40.71 95.87 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.904 1.281 . . . . 74.25 111.06 -174.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.4 -21.67 58.06 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.917 0.487 . . . . 74.44 111.999 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.541 ' HE2' ' HD2' ' A' ' 43' ' ' LYS . 71.3 mtm -89.21 -2.07 58.34 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.053 0.541 . . . . 72.4 112.193 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 2.92 88.95 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-O 120.225 -0.209 . . . . 52.25 112.79 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HD2' ' HE2' ' A' ' 41' ' ' MET . 93.6 mttt -92.63 50.91 1.65 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.059 -1.089 . . . . 75.02 108.059 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG13 ' HB2' ' A' ' 80' ' ' LYS . 21.7 t -71.19 -21.99 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 113.716 -1.584 . . . . 73.33 110.439 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.568 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 3.1 mptp? -62.59 -36.98 84.45 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.059 -1.428 . . . . 71.34 110.01 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.47 -38.92 39.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.923 0.889 . . . . 74.01 110.154 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.22 -40.11 70.46 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 124.377 1.071 . . . . 63.34 112.63 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.83 -52.91 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.446 1.091 . . . . 65.31 110.502 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.34 -36.6 80.61 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.128 0.892 . . . . 73.2 111.347 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -68.33 -38.71 81.79 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.144 0.577 . . . . 70.22 111.809 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.91 -28.6 62.56 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.825 0.45 . . . . 74.53 110.365 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.77 -45.04 68.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.603 0.761 . . . . 62.01 110.038 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' O ' HG21 ' A' ' 57' ' ' VAL . 81.0 mtp180 -64.55 -49.14 72.4 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.291 -0.868 . . . . 75.22 109.752 175.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.66 -49.48 72.79 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.456 1.098 . . . . 72.01 111.434 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.51 -36.59 84.7 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.176 0.922 . . . . 75.22 110.904 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -66.08 -39.6 90.17 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.664 0.603 . . . . 75.0 111.029 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 53' ' ' ARG . 93.0 t -69.3 -47.73 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.75 -0.659 . . . . 65.33 109.723 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -61.47 -29.51 70.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.799 0.84 . . . . 72.52 111.895 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -43.75 78.35 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.672 0.789 . . . . 73.33 110.082 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.54 80.32 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.869 -0.605 . . . . 75.44 111.517 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.5 -13.7 59.85 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.61 0.764 . . . . 74.42 111.077 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m80 60.09 29.72 19.26 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.349 1.059 . . . . 71.14 111.15 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.3 102.36 11.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.335 1.054 . . . . 71.2 108.361 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -65.17 -42.4 93.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.585 0.754 . . . . 74.01 112.668 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -65.59 -48.17 73.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.869 0.468 . . . . 73.21 111.762 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.53 85.98 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.649 0.593 . . . . 75.43 112.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.5 98.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.445 0.698 . . . . 75.12 111.657 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -68.71 -41.42 79.13 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.614 -0.721 . . . . 73.33 110.761 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -70.7 -31.23 68.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 111.636 0.235 . . . . 73.34 111.636 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.25 92.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.716 0.406 . . . . 72.11 110.007 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.14 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.562 0.745 . . . . 75.2 112.322 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.7 -40.11 56.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.974 0.51 . . . . 71.42 109.697 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.6 m -67.75 -30.58 70.08 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.262 -0.881 . . . . 74.32 110.419 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.85 -43.08 94.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.755 0.822 . . . . 70.3 111.137 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -57.55 -41.98 82.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.47 0.708 . . . . 72.15 110.543 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.35 -37.23 66.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.425 0.69 . . . . 72.41 110.884 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.39 96.08 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.812 0.845 . . . . 65.03 111.751 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -67.46 -24.61 65.64 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.103 0.961 . . . . 75.52 111.181 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -77.99 -30.81 50.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.923 0.489 . . . . 73.43 110.867 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' HB2' HG13 ' A' ' 44' ' ' VAL . 60.7 mttm -78.89 -24.36 44.25 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.237 0.615 . . . . 74.51 111.141 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.96 -68.75 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 C-N-CA 123.888 0.875 . . . . 73.41 109.68 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.25 101.11 0.51 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 109.262 -0.644 . . . . 64.41 109.262 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 147.94 177.11 22.05 Favored Glycine 0 C--O 1.246 0.871 0 N-CA-C 110.765 -0.934 . . . . 72.12 110.765 -174.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.8 p -69.36 100.29 1.34 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.233 0.613 . . . . 72.34 110.007 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 145.22 46.45 0.04 OUTLIER Glycine 0 C--N 1.342 0.861 0 N-CA-C 111.324 -0.71 . . . . 71.2 111.324 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -160.58 97.7 1.21 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 122.887 0.475 . . . . 73.31 109.968 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -101.43 122.36 43.61 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.563 0.745 . . . . 75.14 109.123 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.49 44.98 3.43 Favored Glycine 0 C--N 1.342 0.89 0 C-N-CA 122.738 0.209 . . . . 62.32 112.816 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -99.12 79.24 2.32 Favored 'General case' 0 C--O 1.246 0.91 0 N-CA-C 108.506 -0.924 . . . . 75.21 108.506 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.85 118.32 31.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 107.636 -1.246 . . . . 75.34 107.636 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -65.84 164.6 14.52 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.892 0.477 . . . . 73.11 110.022 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.25 34.56 0.47 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 122.92 0.488 . . . . 74.23 111.802 -170.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 61.27 54.2 3.29 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 124.552 1.141 . . . . 74.54 109.374 -174.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.3 133.15 50.82 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 113.597 -1.638 . . . . 73.22 110.992 -174.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.62 18.89 50.65 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-O 119.558 -0.579 . . . . 73.14 113.028 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.44 160.03 33.46 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 117.539 0.669 . . . . 74.44 110.016 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.6 p -162.49 149.6 13.5 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.739 0.416 . . . . 72.4 110.574 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.8 pt -81.79 158.22 4.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 C-N-CA 123.479 0.712 . . . . 61.14 110.423 176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.86 111.64 23.13 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 108.935 -0.765 . . . . 75.32 108.935 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 124.133 0.973 . . . . 72.14 109.544 -179.512 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 111.78 -0.528 . . . . 44.42 111.78 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.85 -41.54 0.55 Allowed Glycine 0 C--N 1.348 1.227 0 N-CA-C 111.807 -0.517 . . . . 71.44 111.807 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -77.08 140.76 66.55 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 123.593 0.757 . . . . 74.04 111.549 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.24 -31.7 91.47 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.14 2.56 . . . . 73.3 113.726 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.676 ' HA ' HD12 ' A' ' 8' ' ' ILE . 31.1 t70 -60.61 -33.38 72.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.926 0.89 . . . . 73.31 111.968 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.33 -39.57 74.67 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 72.4 110.602 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -63.43 -36.47 83.85 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.96 0.504 . . . . 64.52 110.652 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -60.04 -43.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.222 1.009 . . . . 73.04 111.339 177.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.24 71.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.045 0.538 . . . . 73.2 111.069 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.17 -41.6 76.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.454 0.701 . . . . 74.32 110.795 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -73.12 -26.98 61.43 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.895 0.478 . . . . 75.44 111.518 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.46 -33.56 60.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.164 0.585 . . . . 75.53 110.178 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -71.11 -36.13 72.05 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.089 0.556 . . . . 72.51 109.589 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.43 -31.35 65.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.706 0.802 . . . . 62.21 110.614 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -39.43 77.4 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.723 1.209 . . . . 74.12 110.743 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mmtm -66.92 -46.2 75.55 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.573 -0.739 . . . . 74.13 110.122 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 58.8 tptt -59.33 -44.95 92.55 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.1 0.875 . . . . 75.42 109.84 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.5 75.65 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.685 1.194 . . . . 64.1 111.792 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.72 -40.22 84.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.317 1.047 . . . . 75.33 110.137 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 65.1 mt-10 -64.62 -34.8 79.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.646 0.778 . . . . 61.53 110.996 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 82.4 mt -80.5 -11.73 59.63 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.544 0.737 . . . . 74.53 111.251 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.24 29.27 13.86 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.761 1.224 . . . . 74.42 110.142 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -105.41 94.13 5.05 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.225 1.01 . . . . 71.14 108.702 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' HE2' ' A' ' 27' ' ' MET . . . -63.21 -34.1 89.05 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.835 -1.075 . . . . 71.4 113.822 -174.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.13 -33.64 69.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.132 0.573 . . . . 73.54 110.84 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.67 -37.59 62.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.73 0.812 . . . . 74.1 111.066 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.439 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 47.7 mtm -66.85 -54.85 18.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.228 0.611 . . . . 74.02 110.945 -176.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.3 -38.09 94.08 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.424 -0.807 . . . . 62.25 112.275 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -63.57 -38.8 92.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.321 0.648 . . . . 62.24 110.3 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.19 88.9 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 123.704 0.802 . . . . 72.32 110.834 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 94.9 mt -64.25 -37.22 86.7 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.991 0.807 . . . . 72.04 110.78 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.403 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.7 t80 -62.83 -40.64 98.03 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.647 0.779 . . . . 75.54 109.918 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -64.01 -43.78 94.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.208 0.603 . . . . 73.12 111.167 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -38.17 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 63.02 110.28 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 -36.91 93.67 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 115.306 -0.861 . . . . 64.43 112.263 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 93.3 mt -69.14 -32.81 72.43 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.608 0.763 . . . . 73.44 110.878 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.57 -37.21 68.27 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.054 0.454 . . . . 75.24 110.892 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HE2' HD11 ' A' ' 8' ' ' ILE . 6.1 mptp? -66.47 -39.62 88.9 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.456 0.702 . . . . 75.33 109.901 173.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -61.92 -44.74 96.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.475 1.11 . . . . 65.23 110.757 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.07 -17.68 61.39 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.731 0.412 . . . . 75.51 111.966 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.482 ' HB3' ' HZ1' ' A' ' 43' ' ' LYS . 74.8 mtm -90.07 -6.04 55.92 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.129 0.572 . . . . 75.32 111.783 174.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 6.08 89.56 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 116.598 -0.274 . . . . 54.44 113.121 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HZ1' ' HB3' ' A' ' 41' ' ' MET . 56.8 mttp -85.77 60.6 6.33 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.868 0.842 . . . . 65.54 109.021 176.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.6 -26.72 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.459 -1.246 . . . . 74.43 110.484 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -49.73 -55.88 12.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.705 1.202 . . . . 72.34 111.11 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.464 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 36.6 mt-10 -75.62 -37.34 59.83 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.744 -1.116 . . . . 74.5 111.113 -177.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.52 69.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.801 0.84 . . . . 75.02 110.877 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.458 HD13 HG23 ' A' ' 81' ' ' VAL . 79.0 mt -55.07 -51.21 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 124.563 1.164 . . . . 74.31 111.51 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.97 -43.86 73.86 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 124.072 0.858 . . . . 74.45 110.686 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 67.4 m-85 -69.23 -39.67 78.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.315 -0.857 . . . . 72.51 112.031 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -69.74 -28.66 65.98 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.413 0.446 . . . . 74.1 111.125 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.02 -45.93 54.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.429 0.691 . . . . 73.43 110.028 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' O ' HG22 ' A' ' 57' ' ' VAL . 99.0 mtt180 -67.9 -36.67 80.61 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.072 -0.967 . . . . 75.24 110.532 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.92 -50.81 69.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 75.32 110.398 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -59.13 -42.55 90.9 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 124.909 1.381 . . . . 73.22 110.788 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -57.87 -39.55 78.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.435 1.094 . . . . 74.13 110.877 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 53' ' ' ARG . 40.8 t -75.94 -37.12 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.521 -0.763 . . . . 74.34 110.629 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -65.58 -28.15 68.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.725 0.41 . . . . 74.53 111.074 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -67.86 -38.19 82.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.347 0.659 . . . . 71.3 110.29 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -32.4 67.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.033 0.933 . . . . 62.32 111.424 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -78.58 -13.99 59.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.062 0.945 . . . . 75.3 111.405 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.6 m170 67.54 20.07 9.81 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.969 1.307 . . . . 70.4 111.84 -175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -83.26 82.62 8.19 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 108.584 -0.895 . . . . 74.14 108.584 168.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -65.49 -27.65 68.64 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.35 -0.386 . . . . 74.41 110.452 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.96 -49.85 68.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.014 0.926 . . . . 75.54 110.489 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.47 Favored Glycine 0 C--N 1.347 1.177 0 CA-C-N 115.414 -0.812 . . . . 74.5 112.986 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.09 71.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.022 0.929 . . . . 61.22 111.269 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -72.37 -30.63 64.87 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.792 0.837 . . . . 75.13 110.331 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -66.05 -42.64 89.24 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.716 0.806 . . . . 74.13 110.349 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.68 87.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.746 -0.661 . . . . 55.41 110.478 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HA ' HD11 ' A' ' 74' ' ' LEU . . . -69.67 -27.91 65.43 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.784 0.834 . . . . 73.51 111.643 176.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -70.81 -44.57 66.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.403 0.681 . . . . 72.33 110.172 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -61.53 -34.75 76.07 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.261 0.624 . . . . 74.54 110.951 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 71' ' ' ALA . 49.6 mt -64.47 -44.49 90.91 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.127 0.971 . . . . 75.34 111.211 171.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.4 t -61.29 -33.94 74.39 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.894 0.878 . . . . 72.02 111.336 -177.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.07 -38.31 57.21 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.608 0.763 . . . . 74.43 110.487 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.48 65.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.123 0.969 . . . . 74.51 112.281 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -60.49 -30.85 69.96 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.403 1.081 . . . . 74.34 112.655 -175.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -60.92 -42.11 97.46 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.607 0.763 . . . . 70.21 110.234 176.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -76.24 -28.35 57.1 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.585 1.154 . . . . 72.24 111.788 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.458 HG23 HD13 ' A' ' 48' ' ' ILE . 64.5 t -63.3 -34.95 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.58 0.752 . . . . 75.52 110.706 175.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -82.86 67.55 8.98 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.329 -0.85 . . . . 75.4 110.018 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.29 40.97 3.06 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.2 -0.455 . . . . 53.41 112.238 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.3 p -76.88 161.65 28.25 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.965 0.906 . . . . 61.34 111.117 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.21 -60.97 4.65 Favored Glycine 0 C--N 1.343 0.967 0 N-CA-C 110.894 -0.882 . . . . 74.32 110.894 -175.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.26 110.16 3.4 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.513 0.725 . . . . 73.3 109.131 171.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -82.24 112.71 19.49 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.133 -0.692 . . . . 70.2 109.133 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.49 127.02 10.34 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 110.962 -0.855 . . . . 74.51 110.962 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -75.38 110.58 9.85 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.276 0.63 . . . . 75.12 109.856 -177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.1 pt -77.71 7.23 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.208 1.003 . . . . 60.32 111.771 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -69.93 89.99 0.61 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.103 0.961 . . . . 75.41 109.57 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -113.66 17.93 17.86 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.843 1.257 . . . . 75.12 111.134 -175.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 65.56 83.57 0.17 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.401 1.08 . . . . 71.51 109.487 -174.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -76.6 80.98 3.26 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.45 0.7 . . . . 71.44 109.383 -178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.15 114.39 4.29 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.594 -0.73 . . . . 70.42 112.953 -175.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -117.4 25.42 10.46 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.231 1.012 . . . . 73.11 110.712 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.5 m -79.11 6.94 8.34 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.587 0.755 . . . . 64.32 112.752 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 37.8 pt -107.32 147.53 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.296 0.638 . . . . 74.54 110.831 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 pp -100.42 -7.03 24.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.068 0.947 . . . . 73.1 110.777 171.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 . . . . . 0 C--O 1.248 1.004 0 C-N-CA 124.122 0.969 . . . . 71.01 110.771 176.165 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.867 0 N-CA-C 111.642 -0.583 . . . . 70.01 111.642 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.7 -169.73 39.78 Favored Glycine 0 C--N 1.342 0.898 0 N-CA-C 111.665 -0.574 . . . . 73.41 111.665 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -60.03 137.06 90.93 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 118.451 -0.785 . . . . 72.13 110.015 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 54.3 Cg_exo -53.91 -42.82 63.49 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.926 2.417 . . . . 62.31 114.896 -173.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.533 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.8 m-20 -73.59 -24.41 60.06 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.655 0.382 . . . . 73.23 111.738 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.87 -39.38 72.92 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.569 0.748 . . . . 72.12 109.63 171.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -64.72 -35.58 81.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.514 0.725 . . . . 74.4 109.78 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 5' ' ' ASP . 96.0 mt -61.61 -46.26 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.198 0.999 . . . . 73.11 110.865 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.34 66.08 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.733 0.646 . . . . 71.14 111.192 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.48 -39.12 54.07 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.03 0.932 . . . . 75.43 110.937 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -65.78 -32.34 73.81 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.359 0.664 . . . . 62.35 111.081 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 15' ' ' TYR . 65.1 mt-10 -67.54 -28.04 67.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.681 0.792 . . . . 61.33 111.075 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.2 -48.07 74.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.0 0.52 . . . . 73.44 109.92 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.61 75.55 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.296 -0.865 . . . . 73.41 110.806 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.452 ' HB3' ' HA ' ' A' ' 12' ' ' GLU . 46.9 t80 -69.83 -40.75 75.68 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.194 0.998 . . . . 75.21 112.098 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.3 mmmm -72.48 -30.35 64.46 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 117.616 0.189 . . . . 75.02 110.541 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -32.24 64.08 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 109.087 -0.709 . . . . 75.13 109.087 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.24 80.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.833 0.853 . . . . 65.13 110.796 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.1 -37.37 58.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.928 1.291 . . . . 73.54 111.639 -171.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.18 -33.64 76.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.974 0.416 . . . . 72.15 110.625 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -89.51 -11.19 43.62 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.732 0.813 . . . . 74.34 110.818 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 66.42 22.04 10.78 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.007 1.723 . . . . 61.53 111.959 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -79.98 99.36 7.59 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 109.192 -0.67 . . . . 72.33 109.192 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.91 -27.17 73.27 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 114.773 -1.103 . . . . 65.41 114.199 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.61 -37.97 74.15 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.693 0.397 . . . . 73.51 110.206 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.42 -48.05 24.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.456 1.102 . . . . 73.45 110.859 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 46.4 mtm -64.37 -38.12 89.92 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.753 0.658 . . . . 72.4 112.043 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.14 97.95 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.915 0.76 . . . . 74.25 111.906 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.81 -41.23 99.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.488 0.715 . . . . 74.24 110.409 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.1 -52.32 63.12 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.547 0.739 . . . . 54.14 111.152 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 85.3 mt -66.07 -31.34 72.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 70.01 111.143 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.7 -46.94 83.19 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.749 0.819 . . . . 72.41 110.119 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 55.4 m-80 -70.25 -34.67 73.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.945 0.498 . . . . 70.51 111.989 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.68 -43.57 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 109.017 -0.735 . . . . 73.15 109.017 173.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.48 -45.62 95.25 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 114.843 -1.071 . . . . 62.04 112.321 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.54 -36.31 73.66 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.817 0.847 . . . . 75.44 111.782 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 20.4 mm-40 -65.21 -48.52 73.1 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.694 0.621 . . . . 71.34 110.439 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 3.3 mptp? -60.5 -40.96 93.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.733 0.413 . . . . 71.23 110.873 175.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.99 -45.87 90.34 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.443 1.097 . . . . 62.34 111.254 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 60.4 pttt -74.45 -25.67 59.56 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.681 -0.69 . . . . 74.14 111.376 -178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.451 ' SD ' ' HB2' ' A' ' 4' ' ' PRO . 76.3 mtm -76.74 -17.68 58.93 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.018 0.527 . . . . 74.4 111.983 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.86 65.43 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.095 -0.402 . . . . 52.24 112.095 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 85.5 mttt -88.37 52.14 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.207 1.003 . . . . 74.0 108.391 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.1 -23.83 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 114.245 -1.343 . . . . 75.41 111.706 -164.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -55.5 -50.73 69.16 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.386 0.674 . . . . 73.44 110.773 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.544 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 2.5 mp0 -67.0 -37.28 83.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.848 -0.614 . . . . 75.33 110.751 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.9 76.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.057 0.943 . . . . 74.03 111.487 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 81' ' ' VAL . 85.3 mt -52.47 -50.57 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 125.086 1.491 . . . . 75.23 110.919 176.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HA ' HD13 ' A' ' 52' ' ' LEU . 42.5 mt-10 -60.16 -38.36 82.92 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.287 0.992 . . . . 70.42 111.15 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 50.1 m-85 -73.91 -34.03 64.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.327 0.651 . . . . 75.53 112.541 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.24 -28.71 65.47 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 110.137 -0.319 . . . . 73.35 110.137 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 49' ' ' GLU . 83.4 mt -69.57 -43.95 71.83 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.491 0.717 . . . . 74.13 109.752 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 86.7 mtt180 -60.96 -51.39 69.45 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.953 0.783 . . . . 74.31 109.321 174.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.31 76.94 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.569 1.168 . . . . 65.51 111.292 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -62.48 -41.7 98.98 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.31 1.006 . . . . 74.11 111.026 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -63.19 -42.32 99.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.76 0.824 . . . . 74.02 111.373 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 53' ' ' ARG . 96.0 t -72.0 -35.3 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.019 0.528 . . . . 72.52 110.056 -175.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -69.15 -36.11 77.07 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.125 0.57 . . . . 74.12 110.401 171.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.4 -41.68 98.75 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.199 0.6 . . . . 72.44 110.278 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.8 81.75 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.949 -1.023 . . . . 70.54 111.096 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -86.2 -1.95 57.92 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.621 0.768 . . . . 72.33 112.245 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 58.79 25.94 14.12 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.348 1.059 . . . . 74.12 111.737 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -80.47 90.92 5.68 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 107.795 -1.187 . . . . 72.44 107.795 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 9.8 t -59.54 -41.17 89.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.649 -1.16 . . . . 72.13 111.274 -174.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.86 -58.48 7.69 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.697 0.799 . . . . 74.21 110.986 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.15 -30.91 76.3 Favored Glycine 0 C--N 1.343 0.918 0 O-C-N 124.193 0.933 . . . . 73.44 113.611 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.78 93.14 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.349 0.575 . . . . 71.5 110.628 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 64' ' ' THR . 9.4 mpt_? -74.31 -32.28 62.8 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.543 -0.753 . . . . 75.45 110.619 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 -75.17 -33.56 61.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.964 0.905 . . . . 74.13 111.35 -176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.22 73.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.886 0.474 . . . . 64.21 110.034 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.79 -27.82 62.22 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.896 0.748 . . . . 54.23 111.361 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -67.96 -48.23 66.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.476 0.71 . . . . 73.21 109.577 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.3 t -67.29 -29.93 69.65 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.23 -0.895 . . . . 62.12 110.432 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.85 -43.51 98.24 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.713 0.805 . . . . 72.03 111.588 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 49.1 m -61.54 -44.3 97.29 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.486 0.315 . . . . 73.25 110.289 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.32 -31.14 72.21 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.085 0.866 . . . . 73.34 111.03 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.66 -45.75 61.04 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.891 0.876 . . . . 74.01 111.449 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.46 -23.76 65.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.176 0.591 . . . . 73.31 111.699 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 75' ' ' SER . 97.0 mt-30 -60.45 -38.94 85.79 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.407 0.623 . . . . 73.14 110.917 172.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -80.73 -32.62 35.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.015 -0.993 . . . . 72.34 110.856 -173.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.413 HG22 HD13 ' A' ' 48' ' ' ILE . 88.8 t -78.99 -59.76 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.755 0.822 . . . . 71.52 110.768 -178.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.36 142.05 56.89 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.585 0.553 . . . . 75.42 110.607 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.82 65.42 3.93 Favored Glycine 0 C--N 1.345 1.033 0 O-C-N 123.578 0.549 . . . . 75.42 111.951 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.7 m -82.97 96.88 8.45 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.367 -0.975 . . . . 74.15 108.367 177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.81 156.86 21.58 Favored Glycine 0 C--N 1.347 1.158 0 N-CA-C 111.739 -0.545 . . . . 61.23 111.739 -171.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -67.23 111.54 4.02 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.562 -0.532 . . . . 63.45 109.562 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -114.38 129.54 56.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.944 0.897 . . . . 73.2 108.917 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -86.0 58.47 4.77 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-O 120.108 -0.273 . . . . 74.31 112.603 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.63 104.57 2.42 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 121.704 0.764 . . . . 74.31 109.079 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 pt -81.0 120.87 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 114.641 -1.163 . . . . 71.44 111.258 -170.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -110.3 135.56 50.85 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.7 1.2 . . . . 75.51 109.658 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 58.78 21.75 9.32 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 124.918 1.287 . . . . 64.34 111.39 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -155.38 111.06 3.08 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 106.332 -1.729 . . . . 74.21 106.332 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -82.17 -12.09 58.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.794 0.437 . . . . 74.32 110.821 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.14 139.83 4.3 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 123.487 0.492 . . . . 75.31 112.655 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -71.56 123.59 22.8 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.296 -1.002 . . . . 73.44 108.296 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.8 m -64.05 93.98 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.439 0.695 . . . . 71.02 111.034 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 45.1 pt -120.58 159.38 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.866 0.866 . . . . 74.13 109.467 176.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mp 65.4 90.97 0.09 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.441 1.096 . . . . 73.32 110.194 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.092 0 C-N-CA 123.513 0.725 . . . . 72.35 109.355 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 120.072 -0.293 . . . . 75.23 112.54 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.58 -161.12 51.23 Favored Glycine 0 C--N 1.345 1.063 0 CA-C-N 116.608 0.204 . . . . 62.33 112.704 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p -79.58 160.33 70.01 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.298 0.639 . . . . 54.33 110.393 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.06 -32.1 85.21 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 122.333 2.022 . . . . 73.33 111.983 169.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.89 -38.75 86.87 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.237 1.015 . . . . 74.42 111.06 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.05 -38.7 89.02 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.752 -0.832 . . . . 71.03 108.752 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -62.13 -44.24 97.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.299 1.04 . . . . 64.5 111.159 175.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.466 HG21 HG22 ' A' ' 34' ' ' ILE . 71.1 mt -53.22 -49.64 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.884 0.874 . . . . 74.04 111.054 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.4 73.91 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.971 0.794 . . . . 72.01 111.569 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -69.95 -40.25 75.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.799 0.84 . . . . 75.1 110.781 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -76.12 -25.67 55.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.104 0.961 . . . . 73.53 110.607 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 tm-20 -74.4 -38.48 63.09 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.627 -0.879 . . . . 74.04 108.627 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -64.34 -45.38 88.08 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.464 -0.939 . . . . 74.34 108.464 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.89 70.06 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.566 0.746 . . . . 64.21 110.954 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -68.99 -42.93 75.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 72.23 110.441 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.8 mmmt -68.43 -35.86 78.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.658 0.598 . . . . 74.53 111.193 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -67.68 -43.68 79.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 75.12 109.943 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.83 72.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.321 -1.309 . . . . 71.03 111.32 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.72 -31.03 63.19 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.202 1.401 . . . . 74.14 110.774 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 15.8 mm-40 -68.56 -38.43 80.74 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.3 0.64 . . . . 71.34 110.465 173.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.78 -14.64 57.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.175 -0.92 . . . . 75.14 110.82 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 60.47 22.21 11.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.299 1.44 . . . . 73.03 112.078 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -84.72 110.69 18.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.302 0.641 . . . . 74.43 110.288 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.6 -26.6 69.91 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 124.164 0.915 . . . . 74.13 114.028 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HA ' ' HE1' ' A' ' 58' ' ' PHE . 21.6 tt0 -59.1 -53.82 54.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.606 0.763 . . . . 71.03 109.786 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.62 -43.73 75.75 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.931 -1.031 . . . . 75.43 111.391 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.4 mtm -68.31 -42.3 79.61 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.892 0.477 . . . . 74.42 111.607 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.51 93.42 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-N 115.596 -0.729 . . . . 61.11 112.006 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.6 -36.21 80.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.224 0.609 . . . . 74.14 111.407 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.03 71.1 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.277 0.631 . . . . 74.21 110.921 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.76 -33.56 76.15 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.045 0.841 . . . . 74.55 110.896 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.31 -47.6 78.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.881 0.872 . . . . 72.14 110.462 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 33.2 m-80 -66.33 -40.91 90.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.336 0.654 . . . . 75.02 111.473 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG22 HG21 ' A' ' 8' ' ' ILE . 91.6 mt -58.3 -41.08 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 123.779 0.674 . . . . 74.24 110.178 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.93 -39.51 98.14 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.284 -0.871 . . . . 75.0 112.722 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -39.94 96.1 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.534 0.734 . . . . 62.05 111.021 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 16.8 mm-40 -70.11 -38.0 75.49 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.605 -0.725 . . . . 64.54 110.809 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HE2' HD11 ' A' ' 8' ' ' ILE . 71.2 mmtt -62.13 -44.42 96.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.978 0.418 . . . . 72.43 110.188 172.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -67.95 -35.67 78.8 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.128 -0.942 . . . . 64.54 111.262 -170.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.9 -25.16 59.87 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.249 0.343 . . . . 65.33 111.069 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.514 ' HE1' ' HD2' ' A' ' 43' ' ' LYS . 77.8 mtm -86.28 3.37 43.53 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.425 0.69 . . . . 73.1 112.052 177.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.34 2.14 90.36 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.025 0.203 . . . . 74.12 113.318 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD2' ' HE1' ' A' ' 41' ' ' MET . 59.3 mttm -88.91 53.42 2.69 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.466 1.106 . . . . 72.54 108.735 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.83 -23.72 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 114.464 -1.243 . . . . 74.32 110.15 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.621 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 2.8 mptp? -63.99 -42.84 97.08 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.429 1.092 . . . . 72.35 109.737 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.52 -40.07 61.98 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.87 -1.059 . . . . 70.33 110.152 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.93 79.66 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.319 1.048 . . . . 73.51 111.959 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -53.57 -50.69 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 124.603 1.189 . . . . 61.41 110.441 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.88 -38.62 91.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.82 0.7 . . . . 75.34 110.813 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.78 -37.19 86.78 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.13 0.572 . . . . 73.23 112.334 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -76.03 -28.47 57.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.769 0.427 . . . . 73.24 110.476 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 mt -68.11 -41.7 81.35 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.466 -0.568 . . . . 75.34 109.466 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' O ' HG21 ' A' ' 57' ' ' VAL . 73.4 mtt180 -75.26 -39.12 60.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.159 0.984 . . . . 74.15 110.326 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.86 75.49 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.742 0.651 . . . . 75.14 109.993 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 70' ' ' ALA . 54.7 tttp -59.68 -45.77 91.06 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.433 1.083 . . . . 72.13 110.084 175.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.85 -39.27 71.22 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.562 1.163 . . . . 74.24 112.134 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 53' ' ' ARG . 49.6 t -64.02 -55.99 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 109.211 -0.663 . . . . 75.31 109.211 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' HE1' ' HA ' ' A' ' 25' ' ' GLU . 61.3 m-85 -63.15 -30.45 71.6 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.398 0.679 . . . . 75.2 112.205 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.34 -36.57 58.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.072 0.949 . . . . 75.15 109.444 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.28 -30.54 57.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.451 -0.795 . . . . 72.13 111.026 175.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 16.9 mm-40 -78.23 -14.11 59.58 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.142 0.577 . . . . 73.13 110.578 172.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.8 m80 62.36 30.04 17.34 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.011 1.324 . . . . 75.01 111.991 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.58 93.99 6.82 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.065 -1.457 . . . . 62.23 107.065 164.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 5.8 t -63.99 -36.96 85.69 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.945 -1.025 . . . . 75.31 111.766 -172.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 15.3 m-20 -66.17 -41.59 90.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.139 0.576 . . . . 75.04 111.08 -176.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.39 -40.23 87.07 Favored Glycine 0 C--N 1.344 0.976 0 O-C-N 123.772 0.67 . . . . 72.14 112.471 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.84 79.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.965 -0.618 . . . . 74.42 110.432 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 64' ' ' THR . 79.7 mtp180 -70.91 -32.42 69.36 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.084 0.954 . . . . 74.52 111.707 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 68.6 mtt-85 -57.25 -54.03 51.44 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 109.213 -0.662 . . . . 75.24 109.213 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 55' ' ' LYS . . . -75.98 -33.82 59.75 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.061 -1.427 . . . . 72.1 111.954 -174.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -35.99 63.5 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 122.759 0.424 . . . . 74.11 111.352 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -65.26 -45.73 83.37 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.224 -0.658 . . . . 71.22 109.224 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 t -66.01 -28.39 68.84 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.648 -1.16 . . . . 72.3 110.871 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.55 -47.19 56.65 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 73.02 110.806 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -57.4 -45.49 84.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.632 0.773 . . . . 72.31 110.878 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.46 -28.28 60.96 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.444 -0.798 . . . . 73.45 111.349 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.47 74.2 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.454 0.701 . . . . 74.33 110.926 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.421 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 41.9 m-85 -62.92 -39.1 93.53 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.07 0.548 . . . . 64.34 110.059 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.88 -29.61 67.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.526 0.73 . . . . 75.13 111.9 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.77 -29.04 50.72 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.509 0.723 . . . . 73.44 111.346 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.6 -18.03 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 C-N-CA 124.216 1.006 . . . . 74.15 111.649 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 53.2 mt-10 -75.33 104.11 5.76 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.967 0.507 . . . . 75.53 110.145 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.64 162.11 30.17 Favored Glycine 0 C--O 1.244 0.731 0 CA-C-N 115.278 -0.873 . . . . 71.22 111.034 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.1 m -57.2 108.33 0.52 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.909 0.884 . . . . 64.11 112.151 -173.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.2 -42.2 1.23 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 111.223 -0.751 . . . . 63.2 111.223 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -119.76 109.22 15.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.726 0.81 . . . . 64.31 110.551 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -109.4 -37.55 5.71 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.402 1.081 . . . . 73.32 109.508 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.42 -178.37 42.92 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 115.837 -0.619 . . . . 75.32 113.196 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -97.96 111.83 23.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.851 0.86 . . . . 74.21 109.921 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mp -89.21 108.79 19.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.51 0.724 . . . . 74.43 109.336 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -106.67 116.52 32.07 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.154 0.981 . . . . 74.41 108.883 176.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -155.95 93.85 1.48 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.715 0.806 . . . . 74.55 108.923 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -81.37 153.42 27.0 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.827 -0.624 . . . . 75.03 111.243 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -75.72 124.14 26.77 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.845 -0.798 . . . . 73.3 108.845 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.23 65.22 0.23 Allowed Glycine 0 C--N 1.334 0.437 0 N-CA-C 111.385 -0.686 . . . . 73.5 111.385 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.74 148.56 25.37 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.117 0.967 . . . . 73.14 109.618 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 m -65.26 102.22 0.64 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.33 0.652 . . . . 75.2 110.595 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.4 tt -68.25 121.53 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 123.766 0.666 . . . . 74.34 109.445 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 pp -76.94 142.36 40.09 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.344 -0.613 . . . . 71.22 109.344 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 108.954 -0.758 . . . . 71.14 108.954 177.773 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.994 0 N-CA-C 112.247 -0.341 . . . . 71.12 112.247 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.83 -138.58 10.25 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 111.474 -0.65 . . . . 40.35 111.474 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.59 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 16.2 m -65.56 154.03 89.13 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 118.042 -0.98 . . . . 74.34 109.695 173.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.491 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo -51.11 -37.28 57.71 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.438 2.092 . . . . 74.14 112.764 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.635 ' HA ' HD13 ' A' ' 8' ' ' ILE . 37.5 t70 -67.26 -38.1 84.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.737 0.815 . . . . 74.32 111.757 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.59 ' HG2' ' HB2' ' A' ' 3' ' ' SER . 20.9 mm-40 -69.58 -36.14 76.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.761 0.424 . . . . 73.23 110.706 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -66.56 -36.04 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.037 0.935 . . . . 61.42 110.638 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 5' ' ' ASP . 95.5 mt -53.04 -47.06 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.626 0.771 . . . . 73.21 110.365 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.8 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.357 1.036 . . . . 73.31 112.255 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -69.46 -45.24 69.53 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.666 0.386 . . . . 74.55 110.382 175.229 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -70.41 -25.59 63.3 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.561 0.744 . . . . 72.23 110.898 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.68 -42.33 74.28 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.244 1.018 . . . . 72.43 108.999 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.87 -37.6 84.73 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.072 -0.513 . . . . 74.44 110.354 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.96 67.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.855 -0.611 . . . . 71.33 111.363 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -67.78 -47.17 69.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.943 0.897 . . . . 75.51 109.884 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 29.0 mmmt -64.39 -43.02 95.78 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.35 1.032 . . . . 75.1 111.265 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.53 ' HE3' HD11 ' A' ' 21' ' ' LEU . 54.6 tptt -57.74 -45.72 85.44 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.158 0.911 . . . . 75.41 110.434 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.64 96.49 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.355 -0.839 . . . . 72.13 111.517 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 2.4 tm-20 -64.91 -40.98 95.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.998 0.919 . . . . 74.03 110.296 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 25.6 mm-40 -68.31 -29.41 68.17 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.635 -0.711 . . . . 74.2 111.155 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD11 ' HE3' ' A' ' 17' ' ' LYS . 94.0 mt -87.2 -9.1 56.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.501 0.72 . . . . 70.32 112.149 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.37 27.53 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.988 1.315 . . . . 75.12 111.942 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -85.77 98.0 10.49 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.503 0.721 . . . . 72.35 109.981 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.48 -46.96 86.88 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 124.122 0.889 . . . . 60.24 112.338 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' HD13 ' A' ' 26' ' ' LEU . 6.7 pt-20 -52.62 -51.66 58.99 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.608 0.763 . . . . 73.41 111.764 -174.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD13 ' HG3' ' A' ' 25' ' ' GLU . 1.4 mp -71.37 -27.65 63.49 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.793 0.437 . . . . 71.15 111.886 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.413 ' SD ' ' HG2' ' A' ' 19' ' ' GLU . 39.0 mtm -69.33 -44.59 71.36 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.23 0.331 . . . . 75.04 110.592 176.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.87 99.6 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.805 0.69 . . . . 74.12 111.509 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.86 -45.01 96.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 75.12 110.322 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.46 -51.88 67.97 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.886 0.875 . . . . 64.43 111.547 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.0 mt -64.41 -34.69 78.76 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.974 0.796 . . . . 72.24 111.332 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 43.3 t80 -63.0 -49.8 73.23 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 123.748 0.655 . . . . 71.54 109.913 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 68.4 m-80 -65.88 -39.23 90.48 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.798 0.686 . . . . 71.24 111.185 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 8' ' ' ILE . 75.2 mt -60.1 -46.84 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 75.42 109.865 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.35 94.07 Favored Glycine 0 C--N 1.348 1.216 0 O-C-N 124.369 1.043 . . . . 71.14 112.062 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.3 mt -60.99 -43.62 98.58 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.046 0.538 . . . . 74.45 110.315 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 14.0 mm-40 -72.43 -28.07 62.73 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.826 0.704 . . . . 73.43 112.165 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HE3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 mptp? -62.94 -48.02 80.69 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.067 -0.716 . . . . 75.3 109.067 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.15 -29.04 70.19 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.424 -1.262 . . . . 33.12 110.964 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 34.5 mmtp -66.21 -40.0 90.05 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.659 0.784 . . . . 72.1 110.733 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.418 ' HE1' ' HD2' ' A' ' 43' ' ' LYS . 64.8 mtm -81.23 -2.04 47.22 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.223 -0.899 . . . . 75.31 111.285 -179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.5 4.36 90.08 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 119.823 -0.432 . . . . 74.13 112.656 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD2' ' HE1' ' A' ' 41' ' ' MET . 93.2 mttt -83.23 68.38 9.6 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 122.319 1.056 . . . . 75.21 109.165 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.58 -25.76 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 113.882 -1.508 . . . . 75.43 111.492 -169.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -40.02 80.64 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.037 0.535 . . . . 73.43 110.278 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.99 -41.9 77.21 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.67 0.606 . . . . 72.1 109.681 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.36 69.62 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.365 1.041 . . . . 72.43 111.154 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.8 mt -52.05 -52.05 26.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.946 1.298 . . . . 71.45 110.821 174.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.06 -41.88 88.98 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.921 0.763 . . . . 73.45 111.857 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 63.7 m-85 -71.55 -34.19 69.79 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.793 -0.64 . . . . 75.33 111.656 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.39 -28.43 62.01 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.392 0.433 . . . . 73.21 110.345 176.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.34 -50.09 55.74 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.17 -0.678 . . . . 75.35 109.17 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 57' ' ' VAL . 79.1 mtp180 -63.14 -48.88 76.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.684 -1.144 . . . . 75.24 110.365 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.03 75.49 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.141 0.977 . . . . 74.1 111.536 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.05 -46.47 82.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.57 1.169 . . . . 74.5 110.725 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -65.43 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.348 1.03 . . . . 73.11 111.036 -177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 53' ' ' ARG . 85.7 t -72.18 -36.71 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.907 0.483 . . . . 75.24 110.212 174.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.77 -30.47 69.92 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.605 0.362 . . . . 64.23 110.726 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -70.16 -34.42 72.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.207 0.603 . . . . 72.25 110.179 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.03 72.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.36 0.664 . . . . 73.34 110.681 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -78.98 -14.57 59.12 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.314 0.646 . . . . 75.14 111.163 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.7 m80 64.69 21.09 12.33 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.199 1.4 . . . . 74.4 111.839 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.91 102.64 11.81 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.629 1.172 . . . . 73.12 109.212 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -68.27 -38.99 82.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.039 0.536 . . . . 63.22 111.804 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.93 -50.18 74.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.661 0.784 . . . . 64.33 111.077 -175.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.17 83.11 Favored Glycine 0 C--N 1.346 1.115 0 O-C-N 124.117 0.886 . . . . 71.12 112.985 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.89 90.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.64 0.376 . . . . 64.11 111.035 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -69.59 -31.06 68.98 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.606 0.762 . . . . 71.12 111.0 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -74.28 -37.49 63.67 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.564 0.746 . . . . 72.24 110.508 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.68 61.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.355 0.662 . . . . 74.41 110.469 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.38 64.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.591 0.756 . . . . 73.51 111.193 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.44 -44.87 61.79 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.967 0.507 . . . . 75.42 109.959 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.1 m -63.47 -29.56 70.82 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.476 -0.784 . . . . 73.22 110.654 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.34 -45.54 79.88 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.663 0.785 . . . . 75.21 111.019 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -58.34 -49.87 75.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.976 0.51 . . . . 75.41 110.179 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -61.79 -36.29 80.67 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.789 0.836 . . . . 74.52 111.69 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.35 79.57 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.128 0.571 . . . . 72.13 111.18 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -65.4 -30.67 71.5 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.571 0.349 . . . . 73.31 111.276 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -68.61 -30.06 68.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.59 0.756 . . . . 75.3 111.36 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.19 -26.65 33.18 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.548 0.739 . . . . 72.33 111.583 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.5 -45.29 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.77 0.828 . . . . 71.13 109.548 171.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -82.64 159.96 22.56 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.851 -1.068 . . . . 51.1 110.032 -174.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -77.74 68.7 2.73 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.222 0.439 . . . . 64.12 112.686 176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.8 p -135.19 10.76 3.54 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.95 0.9 . . . . 74.04 111.441 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.16 -63.08 3.59 Favored Glycine 0 C--N 1.342 0.904 0 N-CA-C 111.844 -0.503 . . . . 33.23 111.844 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -159.88 110.47 1.91 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.794 0.838 . . . . 75.33 108.863 175.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -87.13 99.5 11.97 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.785 -0.82 . . . . 75.42 108.785 172.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 171.12 -150.9 14.46 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 116.465 -0.334 . . . . 72.5 112.437 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HD2' ' HG3' ' A' ' 92' ' ' GLN . 20.2 pttm -116.71 127.13 54.1 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.005 0.922 . . . . 74.24 109.814 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.2 mm -108.55 125.22 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 124.178 0.991 . . . . 73.33 109.824 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 77.0 t80 56.71 85.67 0.08 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.281 1.432 . . . . 75.52 111.111 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' HG3' ' HD2' ' A' ' 89' ' ' LYS . 31.5 mm-40 -101.67 171.67 7.41 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.111 0.565 . . . . 73.12 110.521 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -92.08 95.64 9.88 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.32 1.048 . . . . 70.14 110.17 -169.569 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.27 157.19 32.79 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 114.64 -1.164 . . . . 74.24 110.436 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.61 77.78 1.4 Allowed Glycine 0 C--N 1.35 1.308 0 N-CA-C 111.296 -0.722 . . . . 73.14 111.296 172.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -83.21 136.8 34.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.305 0.642 . . . . 71.21 110.361 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.1 p -156.07 65.99 0.58 Allowed 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.928 -0.767 . . . . 71.21 108.928 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.2 pt -79.09 142.62 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 115.717 -0.674 . . . . 70.14 110.219 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -146.88 164.75 31.9 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.756 1.222 . . . . 75.32 108.56 -176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--O 1.252 1.194 0 N-CA-C 108.758 -0.83 . . . . 63.03 108.758 -175.877 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 CA-C-O 119.784 -0.453 . . . . 74.33 112.07 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.03 -149.85 16.34 Favored Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.631 -0.588 . . . . 73.54 111.631 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -72.47 149.68 91.21 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 122.622 0.369 . . . . 70.23 110.821 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -54.75 -32.68 77.42 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.814 2.342 . . . . 75.44 112.665 170.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.08 -45.03 96.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.369 1.068 . . . . 73.21 110.747 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.45 -32.87 68.83 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.099 -0.955 . . . . 75.12 110.521 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.83 -36.17 79.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.005 0.522 . . . . 65.11 109.913 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.29 -44.39 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.358 1.063 . . . . 70.3 110.639 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.77 68.84 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.755 0.822 . . . . 64.23 112.13 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.5 -42.97 86.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.03 0.532 . . . . 72.13 109.916 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -74.25 -25.16 59.47 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.681 0.792 . . . . 75.32 111.43 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.91 -48.2 79.98 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.639 0.775 . . . . 63.11 109.596 172.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.15 -42.33 99.44 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.886 -1.052 . . . . 63.21 110.416 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.44 65.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.685 0.794 . . . . 71.21 112.248 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.69 -45.4 65.09 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.997 0.919 . . . . 73.12 110.446 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.522 -0.763 . . . . 73.12 110.99 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.16 -41.75 98.6 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.958 -1.019 . . . . 75.41 110.355 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.21 77.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.294 -0.866 . . . . 75.23 110.471 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.12 -41.23 83.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.525 0.73 . . . . 74.41 111.641 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.29 -41.89 76.64 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.146 0.979 . . . . 73.31 110.447 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 68.7 mt -89.71 -2.81 58.37 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.014 -0.994 . . . . 72.3 111.665 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 68.57 27.62 6.08 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.999 1.32 . . . . 63.12 111.23 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.1 mm-40 -74.22 91.05 2.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.649 1.18 . . . . 71.53 109.984 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -58.74 10.36 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.338 0.399 . . . . 65.33 112.515 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.07 -39.84 63.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.896 0.879 . . . . 74.54 112.035 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 23' ' ' GLN . 5.6 mp -74.61 -28.28 60.82 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.077 0.551 . . . . 73.55 112.179 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.71 -43.03 73.23 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.994 -0.373 . . . . 73.3 109.994 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.18 96.71 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 115.324 -0.853 . . . . 74.31 112.012 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -66.01 -41.44 91.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.497 0.719 . . . . 63.31 110.619 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.87 79.15 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.514 0.725 . . . . 74.04 110.735 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.69 -42.7 90.93 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.977 0.911 . . . . 75.42 111.064 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.68 -41.87 91.66 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.411 1.084 . . . . 72.53 110.95 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -68.53 -45.46 72.16 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.465 0.706 . . . . 75.32 110.39 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.45 -37.31 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.572 . . . . 72.03 110.186 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.08 -45.28 96.25 Favored Glycine 0 C--N 1.345 1.052 0 O-C-N 123.987 0.804 . . . . 64.31 111.971 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.72 -31.42 72.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.341 0.657 . . . . 75.35 111.071 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 28.7 mm-40 -72.82 -33.17 66.01 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.673 0.389 . . . . 74.24 110.868 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HE3' ' HE2' ' A' ' 50' ' ' TYR . 73.6 mmtt -71.31 -40.9 70.52 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.97 0.508 . . . . 75.42 109.998 173.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.34 -38.48 91.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.594 1.158 . . . . 72.32 110.719 -176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 37' ' ' GLU . 12.1 ptmt -75.36 -23.13 57.14 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.556 0.742 . . . . 74.43 110.944 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.457 ' HE1' ' HD2' ' A' ' 43' ' ' LYS . 77.1 mtm -92.28 0.24 57.44 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.354 0.661 . . . . 74.33 112.328 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.84 10.8 84.96 Favored Glycine 0 C--N 1.348 1.217 0 N-CA-C 113.492 0.157 . . . . 50.24 113.492 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HD2' ' HE1' ' A' ' 41' ' ' MET . 64.9 mttm -92.72 55.37 2.42 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 73.52 108.224 176.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 80' ' ' LYS . 43.4 t -71.83 -25.8 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 114.297 -1.32 . . . . 72.43 112.302 -163.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -67.39 -39.29 85.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.798 0.439 . . . . 72.21 110.096 177.749 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.22 -42.54 88.57 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 123.809 0.693 . . . . 61.51 109.71 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.6 71.15 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.312 1.045 . . . . 71.25 111.11 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.16 -51.46 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.726 1.267 . . . . 73.31 110.886 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 36.7 mt-10 -62.16 -40.01 94.54 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.055 0.847 . . . . 64.15 111.039 -174.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.417 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 63.7 m-85 -69.2 -38.46 78.62 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.198 0.599 . . . . 74.45 111.604 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -71.04 -29.87 65.9 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.388 0.43 . . . . 61.42 110.523 177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.32 -44.88 67.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.326 0.65 . . . . 75.55 109.381 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.5 mtp180 -64.91 -48.7 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.862 -1.063 . . . . 74.15 110.081 176.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.15 -46.95 79.08 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.187 0.995 . . . . 71.23 111.201 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.92 -38.9 92.8 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.055 1.342 . . . . 74.45 110.837 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -68.73 -31.98 71.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.91 0.884 . . . . 72.12 110.759 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 53' ' ' ARG . 89.3 t -74.42 -41.41 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.828 0.451 . . . . 75.32 110.007 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -66.64 -30.08 70.26 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.034 0.534 . . . . 73.12 110.687 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -70.4 -38.02 74.57 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.72 1.208 . . . . 73.14 110.065 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.59 80.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.644 -0.707 . . . . 74.1 110.455 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 18.8 mm-40 -71.48 -12.35 61.35 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.785 0.834 . . . . 75.41 110.716 173.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 m80 63.01 25.36 15.0 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.848 1.259 . . . . 73.12 111.622 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -96.12 94.21 7.4 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.115 -1.439 . . . . 73.35 107.115 171.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.8 t -60.32 -35.7 76.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.032 -0.531 . . . . 72.21 111.407 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.6 -34.38 72.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.467 0.707 . . . . 75.02 111.443 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.6 -40.32 86.03 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.672 -0.571 . . . . 72.3 111.672 175.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.44 88.75 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.328 0.651 . . . . 72.4 110.838 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.06 -28.53 64.44 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.996 0.918 . . . . 74.11 111.17 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -40.25 71.61 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.296 -0.631 . . . . 73.31 109.296 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.4 -29.99 69.64 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.864 -0.607 . . . . 71.44 110.481 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.45 -27.85 62.57 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.904 0.882 . . . . 71.23 111.6 175.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.527 ' HB2' ' HZ3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -67.23 -49.63 63.78 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.254 -0.647 . . . . 73.4 109.254 174.163 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.0 m -63.4 -30.92 71.96 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.429 -0.805 . . . . 71.32 111.27 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.22 -48.18 68.59 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.657 0.783 . . . . 74.14 111.748 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.1 p -63.69 -35.24 79.9 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.481 0.313 . . . . 71.04 110.732 -176.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.71 -43.75 98.0 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.764 0.826 . . . . 64.32 110.192 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.955 -1.021 . . . . 75.42 111.505 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -69.54 -21.71 63.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.726 0.81 . . . . 74.14 111.694 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -78.04 -30.79 50.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.822 0.449 . . . . 61.2 111.407 173.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.653 ' HB2' HG11 ' A' ' 44' ' ' VAL . 97.6 mttt -81.6 -25.46 35.71 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.678 0.391 . . . . 73.24 111.087 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -85.63 -48.16 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.345 0.658 . . . . 71.32 109.494 173.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -113.05 100.42 8.6 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 107.735 -1.209 . . . . 74.35 107.735 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 137.92 62.88 0.05 OUTLIER Glycine 0 N--CA 1.473 1.102 0 N-CA-C 110.328 -1.109 . . . . 71.43 110.328 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.2 p -60.93 109.01 0.95 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.905 1.282 . . . . 71.4 113.092 -172.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.83 92.96 0.06 OUTLIER Glycine 0 C--N 1.354 1.534 0 CA-C-N 115.641 -0.709 . . . . 65.12 113.393 171.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.84 102.75 0.29 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.393 0.677 . . . . 60.54 109.793 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -61.2 127.06 29.68 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.682 0.793 . . . . 75.04 111.108 -173.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.98 -81.48 0.29 Allowed Glycine 0 C--N 1.338 0.66 0 N-CA-C 111.258 -0.737 . . . . 64.44 111.258 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -164.43 156.05 15.9 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.244 0.618 . . . . 74.41 111.202 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.78 80.18 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 107.187 -1.412 . . . . 74.23 107.187 171.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -89.36 92.29 9.08 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 107.784 -1.191 . . . . 71.24 107.784 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -85.41 177.71 7.7 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.462 -0.79 . . . . 75.42 110.932 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -84.23 151.44 24.82 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.217 -0.901 . . . . 74.01 109.438 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.5 111.13 1.91 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.418 1.087 . . . . 63.42 112.13 -174.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.0 -54.97 3.31 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 115.741 -0.663 . . . . 74.31 114.387 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 73.47 -51.28 0.7 Allowed 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 126.071 1.749 . . . . 71.22 111.688 -174.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 m -83.1 43.48 0.87 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.092 0.957 . . . . 72.51 111.475 175.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mp 55.91 75.11 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 124.384 1.074 . . . . 74.11 109.297 -174.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.5 mt 63.2 -167.15 0.22 Allowed 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 114.483 -1.235 . . . . 74.43 111.387 -176.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 CA--C 1.555 1.141 0 C-N-CA 123.352 0.661 . . . . 74.31 110.404 179.14 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.894 -0.482 . . . . 51.42 111.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.96 -145.68 4.21 Favored Glycine 0 C--N 1.343 0.926 0 N-CA-C 111.504 -0.638 . . . . 71.21 111.504 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 p -65.55 163.0 37.5 Favored Pre-proline 0 CA--C 1.561 1.374 0 C-N-CA 124.166 0.987 . . . . 73.54 111.743 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.482 ' O ' HG13 ' A' ' 8' ' ' ILE . 74.5 Cg_exo -52.25 -34.61 60.29 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.53 2.153 . . . . 75.25 112.34 166.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.29 -44.76 80.17 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.476 1.111 . . . . 72.12 111.122 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -64.53 -37.95 89.33 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.509 1.124 . . . . 72.05 109.694 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -68.64 -31.26 70.28 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.149 0.58 . . . . 74.31 111.245 176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.64 HG22 HG23 ' A' ' 34' ' ' ILE . 80.0 mt -62.03 -43.42 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.233 0.613 . . . . 75.04 110.18 177.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.25 64.05 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.945 0.898 . . . . 71.24 111.702 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -67.82 -49.53 61.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.78 0.832 . . . . 53.55 110.659 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -62.34 -33.98 75.76 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.221 0.608 . . . . 74.32 111.128 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.8 -35.27 74.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.078 0.951 . . . . 74.52 111.354 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -77.12 -39.2 50.21 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.691 -0.686 . . . . 74.1 110.369 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.78 77.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.522 0.729 . . . . 74.51 110.264 172.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.415 ' HB2' ' HB2' ' A' ' 30' ' ' ALA . 48.1 t80 -62.02 -35.16 77.75 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.378 -1.283 . . . . 75.22 111.432 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -64.52 -34.34 78.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.689 0.396 . . . . 73.1 110.795 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -72.95 -45.15 59.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.092 0.87 . . . . 74.3 110.41 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.25 -41.61 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.135 0.974 . . . . 74.2 111.103 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -73.29 -41.31 63.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.264 1.426 . . . . 75.33 110.19 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.45 -40.04 81.54 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.114 1.365 . . . . 75.55 111.513 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.0 mt -87.69 -5.56 58.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.171 -0.922 . . . . 75.33 111.306 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 62.43 37.85 13.24 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.816 1.247 . . . . 73.24 111.593 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -97.49 86.5 3.87 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.003 -1.11 . . . . 74.32 108.003 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.63 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 123.822 0.701 . . . . 73.24 114.496 -172.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.82 -51.77 51.75 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.886 -0.783 . . . . 73.41 108.886 171.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.29 -34.46 77.73 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.203 1.001 . . . . 75.43 111.127 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.9 mtp -69.38 -50.09 49.29 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.901 0.881 . . . . 72.35 110.606 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.0 99.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 123.794 0.684 . . . . 61.23 112.215 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -63.3 -40.38 97.2 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.305 1.042 . . . . 75.32 110.637 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 15' ' ' TYR . . . -63.18 -50.99 68.15 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.696 0.799 . . . . 71.01 110.145 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 34' ' ' ILE . 93.6 mt -63.54 -33.34 75.38 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.885 0.874 . . . . 74.44 111.162 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.48 -42.49 87.41 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.779 0.674 . . . . 74.51 109.895 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -44.39 85.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.559 0.743 . . . . 73.44 110.362 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.64 HG23 HG22 ' A' ' 8' ' ' ILE . 88.2 mt -56.23 -44.24 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 124.21 0.944 . . . . 75.23 110.101 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.67 -42.13 99.73 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 124.135 0.897 . . . . 61.01 112.468 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.51 -35.42 80.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.161 0.585 . . . . 72.54 111.003 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.97 -40.63 75.28 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.589 0.756 . . . . 71.25 110.665 178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.23 -42.93 96.26 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.275 0.63 . . . . 74.54 109.98 173.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -60.61 -46.29 90.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.242 1.417 . . . . 73.45 111.019 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -75.65 -24.03 56.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.102 0.561 . . . . 73.13 112.081 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.9 mtp -75.81 -16.77 60.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.104 0.562 . . . . 71.43 111.082 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.4 -1.21 64.15 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 119.784 -0.453 . . . . 73.25 112.546 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -87.21 67.3 9.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.231 1.012 . . . . 70.33 109.826 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 80' ' ' LYS . 44.8 t -72.46 -26.84 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 114.375 -1.284 . . . . 73.51 111.6 -171.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -40.66 79.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.005 0.522 . . . . 75.43 109.696 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.03 -36.68 75.23 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.798 0.686 . . . . 74.35 110.394 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -47.41 74.07 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.706 0.802 . . . . 65.03 109.985 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -47.41 77.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 124.515 1.134 . . . . 72.33 111.418 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.29 -48.62 73.8 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.976 0.798 . . . . 74.33 110.637 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -71.04 -32.18 68.83 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.499 -0.773 . . . . 54.4 112.595 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -75.52 -30.13 59.68 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.921 0.328 . . . . 70.43 110.406 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.2 -45.44 69.91 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.775 -0.824 . . . . 72.3 108.775 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' HG22 ' A' ' 57' ' ' VAL . 70.6 mtp180 -61.5 -50.79 71.28 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 114.177 -1.374 . . . . 73.45 110.6 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.2 73.82 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.485 1.114 . . . . 72.32 110.674 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.48 -43.78 98.26 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.131 0.972 . . . . 74.21 111.264 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -39.32 94.04 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.055 0.847 . . . . 70.22 110.443 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 53' ' ' ARG . 61.9 t -68.6 -42.44 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 122.945 0.498 . . . . 74.04 109.89 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -64.56 -34.17 77.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.781 0.832 . . . . 72.22 111.222 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.22 -36.1 78.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.761 0.824 . . . . 74.52 110.044 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.4 80.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.202 -0.908 . . . . 64.3 110.7 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 13.2 mm-40 -75.82 -11.26 59.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.879 0.872 . . . . 73.3 111.494 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 64.69 21.63 12.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.502 1.121 . . . . 74.32 110.95 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -83.6 99.82 10.42 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.214 -1.032 . . . . 73.14 108.214 173.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 t -65.72 -41.13 92.63 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.945 -1.025 . . . . 72.22 111.418 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.56 -44.34 87.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.689 0.796 . . . . 73.25 111.597 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.12 -37.12 86.79 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.654 0.596 . . . . 55.01 112.516 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -37.76 88.6 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.069 0.548 . . . . 71.13 110.205 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.37 -32.51 70.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.783 0.833 . . . . 74.43 111.206 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -50.18 70.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.283 1.033 . . . . 74.42 109.436 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.83 86.91 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.609 -1.178 . . . . 75.22 110.778 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.45 70.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.731 0.813 . . . . 63.03 112.096 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.64 -48.87 44.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.866 0.866 . . . . 71.12 109.877 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -65.91 -29.88 70.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.808 -1.087 . . . . 72.05 110.23 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.38 -46.75 82.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.044 0.938 . . . . 73.21 110.855 170.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.4 t -58.59 -33.13 69.64 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.42 0.688 . . . . 72.13 110.821 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -76.91 -37.83 54.66 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.819 0.847 . . . . 74.22 110.671 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.27 82.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.734 0.814 . . . . 73.55 111.723 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -68.14 -26.1 65.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.139 0.576 . . . . 64.22 111.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -61.77 -44.49 96.79 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.166 0.587 . . . . 73.43 110.471 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.59 ' HB2' HG12 ' A' ' 44' ' ' VAL . 47.7 mttm -69.61 -38.68 77.36 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.999 -1.001 . . . . 75.42 110.713 -174.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.81 -45.23 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.188 0.995 . . . . 74.54 110.992 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.31 -38.87 78.44 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.152 0.981 . . . . 73.3 111.459 -175.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.86 -154.29 16.71 Favored Glycine 0 C--N 1.341 0.849 0 N-CA-C 111.202 -0.759 . . . . 74.01 111.202 -173.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t 66.03 95.89 0.06 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.444 1.098 . . . . 71.34 109.648 -173.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.68 2.66 61.34 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-N 115.583 -0.735 . . . . 64.41 111.528 -169.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.7 144.87 50.86 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.074 0.95 . . . . 64.02 110.774 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -164.63 116.36 1.24 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.553 1.141 . . . . 73.23 108.6 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.37 58.96 3.82 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 116.239 -0.437 . . . . 75.1 113.717 -171.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.62 107.58 18.59 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 107.7 -1.222 . . . . 72.34 107.7 165.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.6 pt -88.81 30.09 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.61 1.164 . . . . 75.43 111.68 -177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -54.63 -40.72 69.24 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.95 0.9 . . . . 73.52 111.203 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -79.21 95.42 5.63 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 123.304 0.642 . . . . 75.43 110.329 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -110.78 88.7 2.84 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 107.809 -1.182 . . . . 74.14 107.809 164.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -88.02 84.6 6.95 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.592 -1.262 . . . . 72.23 107.592 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.7 93.64 0.09 OUTLIER Glycine 0 C--N 1.341 0.856 0 CA-C-N 114.615 -1.175 . . . . 63.13 110.855 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.09 145.44 55.83 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.335 0.654 . . . . 65.1 109.744 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.5 m -77.14 76.86 3.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.1 0.56 . . . . 72.32 110.069 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 pp -121.24 117.61 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 124.654 1.182 . . . . 74.42 108.853 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.35 156.59 24.16 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 114.889 -1.05 . . . . 75.31 109.194 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.849 -0.596 . . . . 72.22 109.629 -179.061 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.085 0 CA-C-O 120.147 -0.252 . . . . 61.34 112.553 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.79 82.0 0.31 Allowed Glycine 0 C--N 1.352 1.417 0 C-N-CA 123.121 0.391 . . . . 42.11 112.524 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -71.67 143.24 86.97 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.183 0.993 . . . . 74.51 110.92 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 8.0 Cg_endo -48.49 -40.65 37.05 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 124.174 3.25 . . . . 75.22 114.899 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.445 ' HA ' HD11 ' A' ' 8' ' ' ILE . 26.3 t70 -57.97 -46.48 85.08 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.874 0.734 . . . . 74.42 111.064 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -68.92 -34.7 75.81 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.967 -1.015 . . . . 65.25 109.232 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.09 -31.46 70.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.027 0.931 . . . . 73.14 111.497 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 91.1 mt -52.54 -51.21 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.577 0.751 . . . . 73.13 109.726 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -34.11 77.61 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.544 0.738 . . . . 60.53 112.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -64.99 -41.11 95.7 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.373 0.669 . . . . 75.11 110.288 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.12 -25.13 51.77 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.276 -0.875 . . . . 75.31 111.115 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 53.0 mt-10 -72.83 -31.99 65.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.015 0.526 . . . . 71.22 110.707 173.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.99 59.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.114 0.566 . . . . 74.22 109.716 174.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.19 66.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.453 0.701 . . . . 75.45 110.26 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -70.09 -44.16 69.61 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.822 0.849 . . . . 74.32 110.301 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -73.12 -31.6 64.41 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.742 0.652 . . . . 74.31 111.123 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -69.99 -29.46 66.54 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.986 0.422 . . . . 74.43 110.035 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.12 60.43 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.556 0.742 . . . . 73.11 110.877 172.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.55 -33.87 60.7 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.551 1.14 . . . . 72.43 111.414 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.36 -31.71 71.29 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.152 0.501 . . . . 73.14 110.266 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.98 -16.61 57.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.14 -0.937 . . . . 72.22 110.316 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 62.4 25.66 15.31 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.926 1.291 . . . . 75.43 110.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -97.25 92.23 5.9 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.366 -0.834 . . . . 72.41 109.107 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.64 -31.0 57.29 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.173 -0.921 . . . . 73.11 114.582 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 9.3 pt-20 -61.65 -30.52 70.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.896 0.478 . . . . 70.14 111.504 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -81.23 -42.59 20.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.386 1.074 . . . . 75.22 111.217 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 85.0 mtp -63.2 -43.07 99.19 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.269 1.028 . . . . 70.45 111.926 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -32.03 82.4 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.54 -0.755 . . . . 73.12 112.667 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 95.0 mtt180 -59.54 -50.19 74.85 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.216 -0.661 . . . . 73.22 109.216 175.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.08 91.86 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.587 1.18 . . . . 74.11 111.625 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 53' ' ' ARG . 91.6 mt -66.15 -39.59 89.93 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.498 0.719 . . . . 71.11 110.84 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HE1' ' HA ' ' A' ' 70' ' ' ALA . 65.5 t80 -64.21 -38.32 90.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.529 0.731 . . . . 75.41 110.177 177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -64.32 -48.65 74.8 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.461 0.705 . . . . 74.12 110.673 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 72.2 mt -59.96 -37.98 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 124.075 0.86 . . . . 65.34 110.08 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.77 96.79 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 124.007 0.817 . . . . 72.31 112.333 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.26 -34.01 77.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.271 0.628 . . . . 71.34 110.652 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.04 -45.66 76.79 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.715 0.634 . . . . 62.42 110.662 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 73.7 mmtt -60.0 -43.74 95.0 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.389 0.676 . . . . 74.25 110.196 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -64.01 -43.82 94.47 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.332 1.053 . . . . 75.51 110.797 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.575 ' HD2' ' HB3' ' A' ' 4' ' ' PRO . 16.4 ptpt -75.29 -23.18 57.34 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.681 0.392 . . . . 71.44 110.956 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.513 ' HE1' ' HE2' ' A' ' 43' ' ' LYS . 90.6 mtp -75.39 -15.36 60.47 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.493 0.717 . . . . 64.23 110.973 170.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.51 -13.84 59.54 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 116.075 -0.511 . . . . 74.34 112.694 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.513 ' HE2' ' HE1' ' A' ' 41' ' ' MET . 54.4 mtmt -84.71 70.89 10.85 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 122.05 0.929 . . . . 64.2 109.888 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.46 -24.09 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 114.129 -1.396 . . . . 75.31 111.215 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -56.06 -52.5 64.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.553 0.741 . . . . 65.33 111.257 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.47 -33.34 72.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.647 0.379 . . . . 73.2 110.775 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.1 74.61 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.744 0.818 . . . . 61.01 111.061 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.408 HD13 HG22 ' A' ' 81' ' ' VAL . 96.5 mt -53.81 -52.34 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 124.7 1.25 . . . . 75.52 110.981 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' A' ' 52' ' ' LEU . 49.0 mt-10 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.028 0.83 . . . . 63.01 111.309 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -74.8 -31.32 61.68 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.053 0.76 . . . . 74.41 113.053 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -75.44 -27.44 58.94 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.75 -0.463 . . . . 73.03 109.75 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 49' ' ' GLU . 90.1 mt -69.2 -44.92 71.13 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.572 0.749 . . . . 74.33 109.35 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' A' ' 31' ' ' LEU . 76.3 mtp180 -67.48 -44.85 77.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.376 -0.829 . . . . 73.15 110.843 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.86 -47.79 83.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.261 0.624 . . . . 35.43 110.471 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.5 -41.17 96.89 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.382 1.051 . . . . 75.44 110.896 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.53 -46.17 87.34 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 124.092 0.87 . . . . 72.44 110.87 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 73.3 t -69.47 -44.31 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 115.088 -0.96 . . . . 73.0 110.533 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -64.69 -30.86 71.88 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.311 0.644 . . . . 74.34 111.769 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.28 -37.76 81.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.201 1.0 . . . . 72.14 109.414 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.43 68.75 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.789 -1.096 . . . . 65.44 111.012 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 19.4 mm-40 -76.62 -14.65 59.97 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.312 0.645 . . . . 75.0 111.862 175.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 m170 63.03 27.67 15.94 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.03 0.932 . . . . 74.11 111.408 -172.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.04 99.33 11.82 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.361 -0.978 . . . . 73.43 108.361 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.3 t -61.88 -40.55 95.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.388 0.675 . . . . 75.04 111.672 -173.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 14.7 m-20 -68.29 -32.5 72.69 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.303 0.641 . . . . 75.22 111.642 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.61 87.79 Favored Glycine 0 CA--C 1.526 0.766 0 O-C-N 123.441 0.463 . . . . 74.22 112.005 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.13 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.285 0.634 . . . . 74.03 111.232 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' ASP . 97.4 mtt180 -64.63 -53.71 43.36 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 74.12 110.43 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -69.96 -33.92 72.73 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.394 -0.821 . . . . 72.42 111.276 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HA ' ' HE1' ' A' ' 32' ' ' TYR . . . -72.72 -42.78 63.79 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 122.906 0.483 . . . . 74.35 110.484 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.54 65.47 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.766 0.666 . . . . 71.25 110.982 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 1.2 tpmt? -76.41 -40.64 50.23 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.017 0.527 . . . . 73.44 110.326 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.0 t -68.03 -32.21 72.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.674 0.79 . . . . 70.41 109.802 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -47.01 88.35 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.438 -0.801 . . . . 73.1 110.657 168.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m -61.72 -36.49 81.1 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.667 0.605 . . . . 74.32 111.555 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.6 -42.33 82.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.605 0.762 . . . . 74.2 110.746 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.12 95.35 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.328 1.051 . . . . 74.23 111.9 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -72.28 -23.63 61.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.23 0.612 . . . . 71.12 111.805 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.34 -21.06 56.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.712 0.405 . . . . 75.5 111.165 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -82.19 -44.44 16.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.641 0.776 . . . . 74.22 109.71 174.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 HD13 ' A' ' 48' ' ' ILE . 94.3 t -68.37 -71.81 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.463 -0.79 . . . . 75.04 110.016 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -81.49 113.17 19.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.442 0.697 . . . . 72.41 109.414 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.61 55.09 4.98 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 112.26 -0.336 . . . . 75.22 112.26 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 m -77.8 109.78 12.11 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.309 0.644 . . . . 53.23 109.308 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.81 -56.36 1.89 Allowed Glycine 0 C--N 1.342 0.878 0 N-CA-C 111.846 -0.502 . . . . 75.11 111.846 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.0 t70 63.19 17.44 10.2 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.881 1.272 . . . . 75.1 111.441 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -147.46 89.82 1.81 Allowed 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.594 -0.891 . . . . 74.15 108.594 -173.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.33 94.15 1.92 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 111.113 -0.795 . . . . 55.04 111.113 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 57.8 mttm -71.95 88.84 1.07 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.039 0.535 . . . . 74.2 111.131 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.7 pt -85.99 64.41 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-O 122.475 1.131 . . . . 62.42 111.309 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -93.25 100.63 12.95 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 114.769 -1.105 . . . . 75.41 109.037 174.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 63.43 23.06 13.54 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.863 1.265 . . . . 73.43 112.631 174.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 89' ' ' LYS . 98.2 mttt -73.52 85.69 1.55 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.416 0.627 . . . . 75.51 109.438 176.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -81.06 -70.47 0.53 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.86 -1.064 . . . . 72.23 109.451 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.8 -138.37 48.52 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 119.343 -0.698 . . . . 53.51 112.467 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 44.82 58.09 4.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.154 1.382 . . . . 64.51 111.796 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.0 t -121.97 91.64 3.55 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 114.695 -1.139 . . . . 73.34 108.984 -175.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mp -79.64 94.83 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 N-CA-C 107.008 -1.478 . . . . 71.13 107.008 174.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.77 178.89 5.65 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.896 0.878 . . . . 74.24 111.559 -176.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 123.32 0.648 . . . . 75.41 109.911 176.071 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.882 0 N-CA-C 111.436 -0.665 . . . . 74.02 111.436 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.14 -149.8 7.91 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 112.185 -0.366 . . . . 75.54 112.185 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 m -57.97 138.88 83.32 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.222 0.609 . . . . 72.42 110.469 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.05 -32.86 70.9 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 122.586 2.19 . . . . 74.44 112.937 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.711 ' HA ' HD13 ' A' ' 8' ' ' ILE . 28.4 t70 -62.35 -43.44 98.82 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.051 0.94 . . . . 70.5 111.397 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.47 -47.6 84.93 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 73.1 110.092 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.458 ' HA ' ' HZ2' ' A' ' 10' ' ' LYS . 84.7 m-20 -56.2 -39.76 72.94 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 124.227 0.954 . . . . 73.32 111.058 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 5' ' ' ASP . 67.5 mt -51.87 -54.47 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.747 1.219 . . . . 74.13 111.748 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -62.37 -33.4 74.66 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.237 0.961 . . . . 72.24 111.253 -176.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HZ2' ' HA ' ' A' ' 7' ' ' ASN . 7.4 ttpm? -72.94 -42.55 63.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.62 0.768 . . . . 72.22 110.802 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -72.33 -22.68 61.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.384 0.673 . . . . 74.02 111.311 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -73.85 -35.47 64.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 64.41 110.245 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 56.5 mttm -68.34 -41.17 81.13 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.374 -0.602 . . . . 71.42 109.374 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.19 68.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.914 -1.039 . . . . 72.41 111.632 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.34 -37.78 80.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.106 0.962 . . . . 73.33 110.899 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.62 -36.86 79.2 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.859 0.362 . . . . 74.44 111.218 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -69.68 -39.5 76.96 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.973 0.909 . . . . 74.24 109.076 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.11 85.24 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.68 -1.145 . . . . 74.33 110.604 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.91 -41.45 95.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.396 -1.274 . . . . 74.51 110.464 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.48 -40.28 82.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.511 1.124 . . . . 72.55 111.681 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.8 mt -94.77 11.3 31.93 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.591 -0.731 . . . . 73.14 111.676 -177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 64.06 22.56 12.96 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.805 1.242 . . . . 75.42 111.841 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -83.65 85.02 7.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.777 0.831 . . . . 75.35 109.761 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.73 78.24 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-N 115.783 -0.644 . . . . 73.33 111.99 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.3 -51.51 64.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.007 0.923 . . . . 74.24 110.369 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.4 mt -67.76 -39.37 84.15 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.266 -0.879 . . . . 75.42 111.207 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.6 mtm -65.72 -39.22 90.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.671 0.389 . . . . 72.24 111.821 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.87 -46.43 82.3 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.019 -0.832 . . . . 51.52 111.019 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.43 -35.72 78.36 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.558 0.743 . . . . 74.24 110.905 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.65 42.51 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.95 0.782 . . . . 71.4 110.739 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.5 -34.61 78.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.27 0.628 . . . . 74.04 111.159 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' OH ' ' HG2' ' A' ' 69' ' ' ARG . 64.3 t80 -66.93 -43.89 82.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 63.21 110.599 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 36.8 t-20 -67.05 -46.98 72.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.779 0.832 . . . . 62.15 109.847 -177.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.544 HG21 HG21 ' A' ' 8' ' ' ILE . 81.3 mt -56.83 -44.22 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.542 1.137 . . . . 74.5 110.543 173.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.31 -41.3 99.47 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.877 0.735 . . . . 62.2 112.834 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.69 -47.96 80.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.068 0.547 . . . . 74.34 109.967 174.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 12.2 mm-40 -62.83 -30.78 71.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.842 0.714 . . . . 75.42 112.364 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.54 ' HZ3' HD12 ' A' ' 8' ' ' ILE . 5.7 mptp? -62.35 -47.53 83.8 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.851 -0.426 . . . . 74.34 109.851 169.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -64.19 -31.9 73.27 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 124.335 1.022 . . . . 73.03 111.338 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -63.48 -39.33 94.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.548 0.739 . . . . 75.2 110.615 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.526 ' HE2' ' HD3' ' A' ' 43' ' ' LYS . 46.6 mtm -88.92 0.54 56.52 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.515 0.726 . . . . 74.43 112.042 -175.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.54 9.5 78.68 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-O 119.904 -0.387 . . . . 71.4 113.643 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HD3' ' HE2' ' A' ' 41' ' ' MET . 0.1 OUTLIER -87.64 69.29 9.67 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.099 -1.074 . . . . 73.41 108.099 170.672 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.565 HG13 ' HB2' ' A' ' 80' ' ' LYS . 57.5 t -74.56 -30.35 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 115.009 -0.996 . . . . 62.34 111.945 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -68.18 -40.07 82.35 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.196 -0.668 . . . . 74.23 109.196 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.93 -35.2 66.97 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.379 -0.828 . . . . 75.02 109.604 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.51 72.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.204 0.94 . . . . 61.5 110.302 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -52.22 -49.78 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 124.809 1.318 . . . . 75.33 111.404 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -45.44 82.95 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.205 1.402 . . . . 74.54 110.298 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -71.94 -33.49 68.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.629 0.772 . . . . 75.32 112.495 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -71.02 -29.75 65.77 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.433 0.293 . . . . 75.11 110.433 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.39 -43.94 63.21 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.812 0.695 . . . . 75.41 109.416 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 57' ' ' VAL . 58.9 mtt180 -61.05 -53.47 56.74 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.012 0.82 . . . . 72.15 109.827 176.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.3 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.653 1.181 . . . . 73.32 111.994 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -58.21 -45.72 87.12 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.674 1.234 . . . . 74.21 110.657 -178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.09 -36.31 83.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.964 0.79 . . . . 73.24 111.2 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 53' ' ' ARG . 44.4 t -68.61 -39.4 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 N-CA-C 109.74 -0.467 . . . . 74.55 109.74 176.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -63.06 -35.32 79.85 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.572 0.749 . . . . 72.55 110.761 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.33 -35.17 73.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.998 0.519 . . . . 70.23 110.924 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.55 82.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.574 0.75 . . . . 64.2 110.515 175.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -83.43 -11.98 56.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.18 0.992 . . . . 74.11 111.259 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 66.17 22.81 11.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.642 1.177 . . . . 70.23 112.279 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.45 94.69 5.61 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.246 -1.02 . . . . 71.01 108.246 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -64.4 -33.85 76.81 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.016 -0.993 . . . . 75.03 111.801 -175.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.49 -59.11 5.65 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.315 1.046 . . . . 60.45 111.7 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.05 68.31 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-N 115.794 -0.639 . . . . 64.22 113.078 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.12 85.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.89 0.376 . . . . 45.1 111.095 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -72.06 -32.36 67.01 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.323 0.649 . . . . 74.42 110.701 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HG2' ' OH ' ' A' ' 32' ' ' TYR . 71.3 ttt180 -74.55 -32.7 62.52 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.688 0.795 . . . . 75.11 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.04 70.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.749 -0.66 . . . . 73.21 109.456 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.11 70.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.797 0.839 . . . . 73.25 111.445 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -68.57 -49.33 60.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.563 0.745 . . . . 74.31 109.794 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.6 m -63.95 -30.36 71.45 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.772 -0.649 . . . . 54.4 111.714 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.82 -43.56 71.78 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.642 0.777 . . . . 72.21 110.676 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.9 t -58.37 -37.24 74.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.463 0.705 . . . . 74.41 110.288 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.86 -47.04 55.72 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.369 1.068 . . . . 70.51 110.926 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.71 88.43 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.036 0.935 . . . . 71.52 111.718 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.478 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 23.1 m-85 -66.97 -36.38 82.06 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.779 0.431 . . . . 75.21 110.851 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.63 -33.13 71.12 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.422 0.689 . . . . 75.23 111.257 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HB2' HG13 ' A' ' 44' ' ' VAL . 92.3 mttt -75.78 -34.21 60.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.301 0.641 . . . . 75.14 110.758 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t -82.14 -13.95 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.803 0.841 . . . . 73.44 111.409 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 78' ' ' TYR . 53.9 mm-40 -63.15 138.51 58.57 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.095 0.474 . . . . 73.43 111.615 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.18 29.5 2.52 Favored Glycine 0 C--O 1.24 0.469 0 CA-C-N 114.647 -1.161 . . . . 62.23 110.556 173.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.0 t -70.63 -35.16 72.78 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 124.078 0.951 . . . . 75.23 110.602 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.09 -43.19 2.28 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 112.073 -0.411 . . . . 63.45 112.073 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.06 122.14 23.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.295 0.638 . . . . 63.14 109.955 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -102.14 147.12 27.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.778 0.831 . . . . 73.11 109.378 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.85 -155.77 12.44 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 115.722 -0.672 . . . . 55.12 112.49 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 56.81 93.33 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.841 1.257 . . . . 74.44 110.259 -172.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.3 pt -76.0 66.72 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 CA-C-O 122.215 1.007 . . . . 60.52 110.49 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -111.41 143.49 42.15 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.767 1.227 . . . . 72.22 108.445 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -160.81 155.05 23.08 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.462 0.705 . . . . 72.32 109.49 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -74.8 96.49 3.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.401 0.68 . . . . 75.33 109.786 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -80.84 105.28 11.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.278 1.031 . . . . 72.25 108.733 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.21 -38.06 94.74 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 116.374 -0.375 . . . . 74.22 113.183 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -140.74 73.65 1.43 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.97 0.908 . . . . 73.51 109.531 -173.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -92.73 100.53 13.01 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.372 -1.344 . . . . 74.04 107.372 167.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.85 106.62 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.632 0.773 . . . . 64.11 111.357 -172.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.62 86.89 1.21 Allowed 'General case' 0 C--O 1.24 0.605 0 N-CA-C 108.709 -0.849 . . . . 74.53 108.709 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.162 0 N-CA-C 106.71 -1.589 . . . . 75.31 106.71 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.1 Cg_exo . . . . . 0 N--CA 1.49 1.304 0 N-CA-C 113.707 0.618 . . . . 74.319999999999993 113.707 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.562 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.8 t70 -73.07 -29.31 62.87 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.221 0.534 . . . . 75.010000000000005 111.018 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.34 -31.6 62.5 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.916 0.886 . . . . 54.399999999999999 110.218 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -67.32 -35.93 80.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.715 0.806 . . . . 62.229999999999997 109.589 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.1 mt -56.91 -40.21 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.228 1.011 . . . . 71.510000000000005 111.289 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -36.22 69.96 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.76 0.663 . . . . 73.310000000000002 111.14 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -75.51 -40.57 56.91 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.899 0.48 . . . . 70.310000000000002 110.936 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -67.8 -25.73 65.73 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.457 0.703 . . . . 74.140000000000001 112.331 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.22 -37.03 66.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.781 0.832 . . . . 71.099999999999994 110.175 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -45.04 85.98 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.134 0.574 . . . . 73.109999999999999 109.49 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.5 69.93 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.99 -1.005 . . . . 72.030000000000001 111.13 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -67.87 -43.28 79.77 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.202 0.601 . . . . 73.340000000000003 110.259 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.97 -30.28 71.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.323 0.649 . . . . 74.420000000000002 111.415 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -73.1 -40.22 65.16 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.188 0.595 . . . . 72.439999999999998 110.145 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.624 0.77 . . . . 64.519999999999996 110.822 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -75.98 -39.4 55.97 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.374 1.47 . . . . 70.5 111.513 -170.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.57 -32.77 73.75 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.054 0.454 . . . . 74.25 110.13 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.42 -11.33 58.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.585 0.754 . . . . 74.340000000000003 111.343 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 64.94 22.44 12.47 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.04 1.336 . . . . 73.400000000000006 112.543 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -93.08 90.52 6.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.431 -0.951 . . . . 74.019999999999996 108.431 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' HB2' ' A' ' 27' ' ' MET . . . -63.91 -18.94 62.76 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 115.408 0.923 . . . . 74.219999999999999 115.408 -171.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.27 -46.06 90.48 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 109.393 -0.595 . . . . 74.239999999999995 109.393 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.56 -41.05 69.55 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.511 1.124 . . . . 54.350000000000001 110.762 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.432 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 81.2 mtp -62.8 -40.29 96.91 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.107 0.963 . . . . 71.209999999999994 110.872 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.34 -50.79 48.09 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 114.743 -1.117 . . . . 63.340000000000003 111.597 175.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -60.65 -31.8 71.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.253 0.621 . . . . 73.010000000000005 111.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.47 -52.04 55.82 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.467 0.707 . . . . 70.109999999999999 110.789 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 92.5 mt -69.05 -30.67 69.06 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.772 0.67 . . . . 74.409999999999997 110.887 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -64.82 -44.96 88.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.814 0.846 . . . . 62.140000000000001 110.325 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 94.8 m-20 -62.5 -44.4 96.46 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.866 0.729 . . . . 55.130000000000003 110.174 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.87 -43.79 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.053 0.845 . . . . 64.299999999999997 110.649 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.58 96.32 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.429 -0.805 . . . . 62.210000000000001 112.595 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.68 -40.42 96.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.337 0.655 . . . . 71.310000000000002 110.209 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 15.1 mm-40 -64.13 -43.12 96.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.141 0.901 . . . . 72.540000000000006 110.352 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HE2' HD13 ' A' ' 8' ' ' ILE . 74.6 mmtt -59.84 -48.58 81.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.147 0.579 . . . . 72.400000000000006 110.484 176.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.6 -41.91 95.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.39 1.076 . . . . 60.240000000000002 111.621 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -74.23 -23.1 59.12 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.564 0.346 . . . . 44.340000000000003 111.555 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 70.8 mtm -85.01 -8.56 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.219 0.607 . . . . 75.299999999999997 111.818 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.5 -0.53 65.68 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-O 120.145 -0.253 . . . . 74.400000000000006 112.908 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -81.53 69.83 8.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.773 0.829 . . . . 73.099999999999994 109.167 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 48' ' ' ILE . 98.0 t -67.86 -45.0 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 125.153 1.381 . . . . 60.119999999999997 111.626 -173.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -70.1 -33.79 72.3 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.883 0.873 . . . . 61.350000000000001 110.515 -176.644 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.61 -35.79 70.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.544 -0.753 . . . . 73.25 110.293 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.68 97.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.665 0.786 . . . . 65.310000000000002 110.655 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 81' ' ' VAL . 98.7 mt -53.2 -50.08 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 124.61 1.194 . . . . 61.109999999999999 111.109 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -54.13 -51.39 64.4 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 124.282 0.989 . . . . 73.150000000000006 110.83 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 55.6 m-85 -71.23 -31.4 67.52 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.124 0.787 . . . . 74.209999999999994 113.124 -175.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.66 -30.96 61.78 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 117.765 0.257 . . . . 74.319999999999993 110.563 175.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.11 -43.44 64.74 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.174 0.59 . . . . 63.100000000000001 109.672 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 57' ' ' VAL . 71.8 mtt180 -70.94 -41.06 71.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.098 -0.955 . . . . 74.409999999999997 110.088 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.53 73.73 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.844 0.715 . . . . 75.099999999999994 110.793 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -60.37 -43.2 96.8 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.716 1.26 . . . . 75.349999999999994 110.486 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -56.75 -41.96 78.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.741 1.216 . . . . 74.340000000000003 111.147 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.1 t -71.36 -38.23 68.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.859 -0.61 . . . . 63.25 110.256 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -63.0 -37.38 86.96 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.063 0.545 . . . . 64.439999999999998 111.324 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -66.34 -34.27 77.59 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.777 0.831 . . . . 60.310000000000002 110.353 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.66 86.73 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.537 0.735 . . . . 71.329999999999998 110.89 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.67 -13.66 59.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.85 0.86 . . . . 73.439999999999998 111.341 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.7 m80 67.78 21.63 9.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.255 1.422 . . . . 75.200000000000003 111.271 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -82.28 86.58 6.65 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.822 -1.177 . . . . 73.519999999999996 107.822 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 t -64.76 -24.07 67.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.412 -1.267 . . . . 74.239999999999995 111.876 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.31 -55.17 23.14 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.669 0.788 . . . . 65.219999999999999 110.603 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.34 72.0 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 124.054 0.847 . . . . 73.0 112.667 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.96 86.38 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.101 0.561 . . . . 64.409999999999997 110.606 174.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -70.3 -30.52 67.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.006 0.922 . . . . 75.019999999999996 111.129 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -69.9 -42.62 73.14 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.969 0.908 . . . . 62.310000000000002 110.359 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.28 71.6 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 115.233 -0.894 . . . . 54.520000000000003 110.064 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -71.86 -27.41 62.86 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.644 0.778 . . . . 74.400000000000006 111.783 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -73.79 -42.13 61.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.097 0.559 . . . . 45.130000000000003 109.541 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 m -69.13 -28.99 66.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.83 0.852 . . . . 72.299999999999997 111.049 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 16.5 mt -64.33 -41.18 96.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.239 0.616 . . . . 73.109999999999999 110.735 170.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.9 t -63.45 -41.6 98.64 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 123.707 0.63 . . . . 74.140000000000001 110.042 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -39.1 75.53 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.037 1.335 . . . . 71.230000000000004 110.96 174.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' VAL . . . -74.04 -44.31 54.73 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.789 0.836 . . . . 74.239999999999995 111.504 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -65.96 -30.41 70.96 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.552 0.741 . . . . 75.310000000000002 111.88 -174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -59.49 -37.93 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.714 0.634 . . . . 72.510000000000005 110.553 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -83.39 -10.26 58.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.139 0.976 . . . . 73.439999999999998 112.378 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 48' ' ' ILE . 46.4 t . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.3 -0.629 . . . . 62.310000000000002 109.3 173.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 91.1 Cg_exo . . . . . 0 N--CA 1.493 1.457 0 N-CA-C 114.052 0.751 . . . . 74.129999999999995 114.052 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.5 m-20 -58.08 -43.19 86.88 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.774 1.229 . . . . 71.030000000000001 111.92 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.88 -33.07 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.867 0.467 . . . . 73.129999999999995 110.613 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -63.4 -39.13 93.67 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.604 -0.725 . . . . 74.299999999999997 109.952 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.8 mt -57.98 -41.76 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.34 1.056 . . . . 55.420000000000002 110.978 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -56.28 -40.42 74.22 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.048 0.842 . . . . 55.450000000000003 111.01 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.32 -39.72 78.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.721 0.809 . . . . 61.240000000000002 111.227 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -68.3 -27.43 66.3 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.409 -0.36 . . . . 74.540000000000006 110.523 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.95 -33.07 61.89 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 73.129999999999995 110.687 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 61.4 mttm -64.19 -46.64 83.06 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.16 0.584 . . . . 71.209999999999994 109.613 172.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.4 68.2 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 114.608 -1.178 . . . . 63.229999999999997 111.294 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.86 -49.95 40.46 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.254 1.022 . . . . 73.299999999999997 110.704 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.86 -31.32 64.65 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.962 -0.563 . . . . 53.310000000000002 111.247 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -70.72 -40.94 72.52 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 123.467 0.479 . . . . 73.140000000000001 109.989 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 26' ' ' LEU . . . -55.88 -42.05 75.37 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.276 -0.874 . . . . 51.229999999999997 111.143 173.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.94 -39.17 93.53 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.555 -1.202 . . . . 75.420000000000002 110.685 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.88 -40.24 94.7 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.805 0.842 . . . . 65.510000000000005 110.749 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.04 -7.21 59.51 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.096 -0.956 . . . . 52.549999999999997 111.345 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.77 21.25 12.66 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.945 1.298 . . . . 73.349999999999994 111.39 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.401 ' HB2' HD12 ' A' ' 26' ' ' LEU . 52.2 mt-30 -95.02 101.27 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.013 0.925 . . . . 43.350000000000001 109.255 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.04 -24.79 74.55 Favored Glycine 0 C--O 1.216 -0.987 0 CA-C-N 115.581 -0.736 . . . . 71.319999999999993 112.319 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.68 -44.15 73.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.98 0.912 . . . . 72.329999999999998 111.398 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 33.6 mt -73.83 -37.22 64.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.989 0.915 . . . . 62.210000000000001 110.626 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.37 -38.61 87.97 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.217 0.607 . . . . 73.120000000000005 111.156 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.57 84.57 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 111.002 -0.839 . . . . 61.25 111.002 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -62.57 -38.56 90.55 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.19 0.596 . . . . 70.439999999999998 110.564 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 34' ' ' ILE . . . -60.64 -52.45 65.08 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.91 0.756 . . . . 53.240000000000002 110.279 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 66.5 mt -66.76 -38.63 87.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.971 0.908 . . . . 71.019999999999996 111.2 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.75 -42.74 93.87 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.128 0.971 . . . . 65.140000000000001 110.365 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 4.5 m-20 -69.97 -44.9 68.52 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.09 -0.959 . . . . 63.520000000000003 110.795 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 30' ' ' ALA . 89.7 mt -59.52 -33.58 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 124.038 0.836 . . . . 53.340000000000003 110.208 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.03 -44.48 95.82 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.844 -0.616 . . . . 41.020000000000003 112.459 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.8 -34.41 78.29 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.307 0.643 . . . . 73.540000000000006 110.562 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.1 mm-40 -69.72 -38.45 76.9 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.349 0.66 . . . . 74.209999999999994 111.234 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HE2' HD13 ' A' ' 8' ' ' ILE . 5.3 mptp? -67.06 -43.38 82.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.092 0.557 . . . . 74.230000000000004 110.073 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.65 -41.99 96.08 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.067 0.854 . . . . 73.310000000000002 110.69 -173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.65 -24.19 58.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.268 0.627 . . . . 73.510000000000005 112.069 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.86 6.96 29.25 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.146 0.578 . . . . 64.209999999999994 111.625 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.96 8.16 84.63 Favored Glycine 0 C--N 1.351 1.393 0 O-C-N 123.126 0.266 . . . . 51.530000000000001 113.395 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -93.65 55.37 2.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.5 1.12 . . . . 64.349999999999994 108.728 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 80' ' ' LYS . 87.4 t -67.77 -32.21 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 113.778 -1.555 . . . . 73.120000000000005 111.901 -170.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -62.66 -43.94 97.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.904 0.481 . . . . 74.340000000000003 111.129 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -67.87 -42.07 81.88 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.75 -0.659 . . . . 64.439999999999998 109.69 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.71 67.66 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 124.486 1.116 . . . . 72.200000000000003 111.65 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 81' ' ' VAL . 88.6 mt -51.96 -54.08 15.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 124.598 1.186 . . . . 63.549999999999997 110.684 174.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 52' ' ' LEU . 45.5 mt-10 -64.86 -31.83 73.25 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.973 0.796 . . . . 73.450000000000003 111.701 -175.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 56.8 m-85 -70.84 -34.73 71.97 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.356 0.41 . . . . 64.200000000000003 111.283 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.2 -28.1 59.86 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.892 0.477 . . . . 75.510000000000005 110.583 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 92.8 mt -69.59 -47.89 62.01 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.132 -0.692 . . . . 73.540000000000006 109.132 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 57' ' ' VAL . 78.3 mtp180 -62.54 -52.5 63.2 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 114.07 -1.423 . . . . 75.120000000000005 109.993 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.05 70.22 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.42 1.075 . . . . 41.549999999999997 111.212 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.83 -51.19 70.62 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.742 1.277 . . . . 75.530000000000001 111.057 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.49 -33.25 74.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.693 0.797 . . . . 72.420000000000002 111.478 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 53' ' ' ARG . 94.6 t -74.16 -32.97 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 123.157 0.583 . . . . 73.329999999999998 109.585 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.01 -33.4 73.59 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.827 0.451 . . . . 75.120000000000005 110.509 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -67.39 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.141 0.577 . . . . 74.019999999999996 110.346 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.68 -31.71 69.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.765 . . . . 60.5 111.026 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -87.82 -12.6 44.49 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.593 0.757 . . . . 75.040000000000006 111.784 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 65.58 24.99 11.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.591 1.156 . . . . 45.32 111.546 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.78 83.71 6.47 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.11 -1.441 . . . . 62.140000000000001 107.11 171.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.54 -39.66 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 114.94 -1.027 . . . . 64.230000000000004 112.123 -170.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.48 -42.17 79.04 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.134 0.271 . . . . 53.530000000000001 111.29 -173.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.63 -38.37 90.09 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.453 0.47 . . . . 44.539999999999999 112.351 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.29 94.71 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.315 0.646 . . . . 54.109999999999999 110.965 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -71.35 -29.08 64.55 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.952 0.901 . . . . 74.329999999999998 111.495 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -75.3 -33.43 61.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.44 0.696 . . . . 73.030000000000001 110.065 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.86 74.46 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.638 -0.71 . . . . 74.310000000000002 110.088 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.11 65.63 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 124.085 0.866 . . . . 52.109999999999999 112.055 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -70.69 -44.22 67.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.362 0.665 . . . . 75.420000000000002 110.391 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -64.92 -29.82 70.78 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.153 -0.93 . . . . 73.209999999999994 110.877 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.642 0.777 . . . . 63.240000000000002 110.761 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.6 m -56.89 -43.87 81.73 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.694 0.621 . . . . 73.519999999999996 110.96 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.78 -40.04 78.9 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.371 1.468 . . . . 73.219999999999999 111.543 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.19 -43.5 61.3 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.531 0.733 . . . . 63.299999999999997 111.58 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.18 -26.13 64.54 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.544 0.738 . . . . 63.109999999999999 112.898 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.56 -42.79 97.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.819 0.818 . . . . 62.509999999999998 110.351 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HB2' HG11 ' A' ' 44' ' ' VAL . 84.8 mttt -79.29 -23.81 43.31 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.272 -1.331 . . . . 65.219999999999999 111.37 -175.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 48' ' ' ILE . 43.1 t . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 123.526 0.73 . . . . 54.509999999999998 110.223 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo . . . . . 0 N--CA 1.499 1.801 0 N-CA-C 114.986 1.11 . . . . 75.230000000000004 114.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.23 -36.37 77.12 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.676 0.79 . . . . 74.120000000000005 111.377 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.27 -29.49 61.69 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.295 0.638 . . . . 72.25 110.598 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -72.0 -29.65 64.43 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.771 0.828 . . . . 74.230000000000004 110.447 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.768 HG23 HG23 ' A' ' 34' ' ' ILE . 47.1 mt -67.54 -43.12 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.541 1.137 . . . . 74.329999999999998 109.92 173.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.62 79.55 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.905 0.753 . . . . 63.329999999999998 111.233 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -62.29 -45.9 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.031 0.932 . . . . 75.329999999999998 110.588 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -67.5 -27.9 67.38 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.372 0.669 . . . . 73.140000000000001 111.776 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -71.56 -33.1 68.81 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.36 0.664 . . . . 73.239999999999995 111.099 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.17 -45.9 68.86 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.514 -0.55 . . . . 72.030000000000001 109.514 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -29.39 70.79 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.419 0.687 . . . . 62.140000000000001 111.289 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -69.28 -44.36 72.02 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 115.934 -0.575 . . . . 74.349999999999994 110.306 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 30.0 mmmt -58.46 -40.68 83.31 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 123.258 0.349 . . . . 71.5 110.873 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -60.49 -46.98 88.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.136 0.574 . . . . 73.239999999999995 110.143 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.85 77.35 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.743 -1.117 . . . . 71.019999999999996 111.886 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.53 -37.26 63.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 44.329999999999998 111.407 -174.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 12.6 mm-40 -71.3 -24.74 62.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.217 -0.447 . . . . 61.229999999999997 110.594 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt -91.24 -8.24 48.98 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.552 0.741 . . . . 62.299999999999997 110.663 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.8 32.28 21.24 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 125.442 1.497 . . . . 72.140000000000001 111.053 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -92.14 89.13 6.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.201 -0.909 . . . . 60.340000000000003 109.012 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.89 -24.29 41.24 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 116.553 1.381 . . . . 51.140000000000001 116.553 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.59 -52.96 48.23 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 117.839 0.819 . . . . 72.230000000000004 109.654 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.72 -41.21 94.86 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.907 0.883 . . . . 73.340000000000003 111.555 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.511 ' HB2' HG11 ' A' ' 57' ' ' VAL . 80.7 mtp -67.19 -50.47 60.86 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.016 0.822 . . . . 74.030000000000001 110.697 -175.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.49 95.87 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 124.228 0.955 . . . . 74.329999999999998 112.441 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -61.45 -39.84 92.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.35 0.66 . . . . 54.32 111.383 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.62 60.69 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.712 0.633 . . . . 74.120000000000005 110.52 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 53' ' ' ARG . 32.5 mt -62.06 -37.75 86.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.861 0.864 . . . . 73.319999999999993 111.45 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.95 -44.18 90.25 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.617 0.767 . . . . 73.450000000000003 110.735 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 62.2 t30 -66.98 -42.31 85.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.379 1.071 . . . . 75.040000000000006 110.265 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.768 HG23 HG23 ' A' ' 8' ' ' ILE . 94.7 mt -57.82 -46.35 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.45 1.1 . . . . 55.140000000000001 110.179 174.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -40.97 99.39 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-N 115.103 -0.953 . . . . 61.310000000000002 112.288 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.4 mt -62.12 -41.89 98.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.162 0.585 . . . . 73.219999999999999 110.508 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 41.1 mm-40 -63.63 -44.78 92.89 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.202 0.601 . . . . 72.549999999999997 111.191 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 8' ' ' ILE . 71.1 mmtt -58.26 -41.35 84.06 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.866 0.866 . . . . 74.230000000000004 110.875 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.38 -29.19 66.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.092 0.957 . . . . 72.019999999999996 111.217 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 92.0 mttt -76.07 -35.74 59.26 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.589 0.756 . . . . 63.539999999999999 111.496 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ptm -96.24 12.31 31.42 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.441 0.696 . . . . 54.25 112.367 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.88 -3.06 81.61 Favored Glycine 0 N--CA 1.474 1.225 0 N-CA-C 114.48 0.552 . . . . 63.310000000000002 114.48 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.27 55.62 3.12 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.302 1.049 . . . . 61.229999999999997 109.654 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.41 -21.09 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 113.83 -1.532 . . . . 64.209999999999994 111.658 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -43.71 98.06 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.979 0.912 . . . . 74.129999999999995 110.291 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.97 -30.06 58.47 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.891 0.476 . . . . 65.319999999999993 110.468 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.3 75.18 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.95 0.781 . . . . 64.540000000000006 110.62 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.6 mt -54.05 -54.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.549 1.156 . . . . 71.219999999999999 110.566 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.18 -43.49 74.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 124.176 0.922 . . . . 72.540000000000006 111.027 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -74.12 -30.58 62.37 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.735 0.814 . . . . 75.299999999999997 113.029 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.75 -28.14 60.64 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.205 0.457 . . . . 75.409999999999997 110.131 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 93.9 mt -70.78 -42.6 70.15 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.745 -0.835 . . . . 71.120000000000005 108.745 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.619 ' HB3' HD13 ' A' ' 31' ' ' LEU . 95.3 mtt180 -65.1 -44.59 88.31 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.738 -1.119 . . . . 74.519999999999996 110.502 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.63 71.34 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.329 0.651 . . . . 74.120000000000005 110.783 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.07 -34.72 79.09 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.47 1.106 . . . . 51.32 110.253 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -58.85 -44.29 90.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 72.319999999999993 110.837 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 27' ' ' MET . 57.3 t -71.84 -36.93 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.357 -0.838 . . . . 75.120000000000005 110.498 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.8 -32.45 73.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.177 0.591 . . . . 72.439999999999998 111.521 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -75.42 -29.78 59.86 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.03 0.532 . . . . 75.319999999999993 110.066 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.56 0.744 . . . . 75.400000000000006 110.305 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.3 -15.36 55.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.365 0.666 . . . . 74.439999999999998 111.087 171.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 61.93 20.26 11.38 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.126 1.37 . . . . 72.140000000000001 111.699 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.94 97.79 10.43 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 123.872 0.869 . . . . 74.510000000000005 108.706 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 11.5 t -67.63 -31.74 71.96 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.634 -0.712 . . . . 75.310000000000002 111.527 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.03 -53.41 58.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.391 1.076 . . . . 62.399999999999999 111.312 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.29 -37.24 86.17 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 115.611 -0.722 . . . . 75.439999999999998 111.931 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.11 72.1 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.019 0.528 . . . . 72.329999999999998 111.869 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 64' ' ' THR . 94.0 mtt180 -70.38 -31.63 68.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.368 0.667 . . . . 62.43 110.646 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -67.47 -47.06 71.21 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.118 0.567 . . . . 61.32 109.715 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.97 -34.34 77.88 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.483 -0.781 . . . . 64.310000000000002 111.238 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.38 62.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.497 0.719 . . . . 64.510000000000005 111.2 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.41 -48.25 80.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.397 0.679 . . . . 50.5 109.727 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -69.56 -29.23 66.75 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.728 -1.124 . . . . 73.439999999999998 111.603 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.96 -42.28 99.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.264 0.626 . . . . 72.310000000000002 110.913 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.0 t -63.72 -39.91 95.46 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.157 0.583 . . . . 73.140000000000001 110.242 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.19 -34.81 78.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.335 1.054 . . . . 73.209999999999994 110.896 173.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.72 -47.03 56.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.906 0.882 . . . . 34.409999999999997 112.19 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.89 -34.13 75.47 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.944 0.498 . . . . 75.129999999999995 111.39 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.64 -36.68 72.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.445 0.698 . . . . 62.240000000000002 112.209 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.91 -29.92 26.75 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.587 0.755 . . . . 74.340000000000003 111.477 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 123.841 0.856 . . . . 35.030000000000001 112.594 -172.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 N--CA 1.492 1.389 0 N-CA-C 115.1 1.154 . . . . 74.230000000000004 115.1 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.1 p-10 -72.43 -32.36 66.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.975 0.51 . . . . 71.209999999999994 111.683 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.87 -37.33 78.99 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.340000000000003 109.936 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -66.44 -42.2 88.03 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.007 -0.997 . . . . 72.150000000000006 110.18 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.602 HD13 ' HE2' ' A' ' 38' ' ' LYS . 72.3 mt -54.73 -49.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.632 1.173 . . . . 72.310000000000002 110.483 173.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.11 73.64 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.883 0.739 . . . . 71.439999999999998 111.572 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -69.18 -47.18 65.6 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.129 0.972 . . . . 72.230000000000004 110.783 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.85 -24.98 64.42 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.753 0.821 . . . . 72.420000000000002 111.825 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 4.5 tm-20 -74.19 -37.04 64.05 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.281 1.032 . . . . 72.230000000000004 110.378 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.6 -39.24 73.92 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.861 -0.422 . . . . 72.420000000000002 109.861 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.36 70.58 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.531 -0.759 . . . . 74.519999999999996 111.249 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 46.6 t80 -66.87 -45.68 77.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.4 1.08 . . . . 65.299999999999997 111.111 174.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 97.5 mttt -65.59 -39.67 91.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.403 0.681 . . . . 71.010000000000005 111.074 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -66.76 -41.68 87.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.113 0.565 . . . . 55.450000000000003 110.407 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.77 76.77 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.773 1.229 . . . . 71.0 111.618 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -70.92 -34.43 71.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.774 1.23 . . . . 44.43 110.003 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 54.8 mt-10 -66.94 -38.17 85.66 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.723 0.809 . . . . 75.219999999999999 110.822 174.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.6 -12.66 59.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.2 -0.909 . . . . 73.109999999999999 111.78 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 t30 61.99 31.17 18.1 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.563 1.145 . . . . 64.430000000000007 110.803 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.454 ' HB2' HD12 ' A' ' 26' ' ' LEU . 51.3 mt-30 -105.08 98.76 8.42 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.217 -1.031 . . . . 72.019999999999996 108.217 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.74 -23.79 76.63 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.127 -0.942 . . . . 72.530000000000001 113.276 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.06 -40.13 80.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.097 0.559 . . . . 74.530000000000001 110.235 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' A' ' 23' ' ' GLN . 71.0 mt -72.64 -46.65 52.97 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.999 0.92 . . . . 72.010000000000005 110.368 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.0 mtm -61.38 -39.16 89.67 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.491 0.716 . . . . 73.219999999999999 112.108 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.17 -45.82 68.84 Favored Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.049 -0.978 . . . . 54.009999999999998 111.734 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.63 -30.94 71.97 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.628 0.771 . . . . 74.040000000000006 110.811 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.5 57.48 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.381 0.672 . . . . 72.310000000000002 110.779 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.48 -30.41 68.29 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.043 0.937 . . . . 74.129999999999995 111.708 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.73 -47.66 80.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.502 -0.772 . . . . 63.310000000000002 109.97 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.28 -40.96 98.83 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.62 0.768 . . . . 73.019999999999996 111.166 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 HG23 ' A' ' 8' ' ' ILE . 81.6 mt -60.15 -43.65 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.877 0.871 . . . . 72.109999999999999 110.363 175.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.29 -36.7 93.08 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.359 -0.837 . . . . 71.549999999999997 112.817 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 95.7 mt -63.92 -39.03 93.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.344 0.658 . . . . 64.329999999999998 110.438 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.813 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 29.6 mm-40 -66.01 -47.08 75.66 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.978 -0.555 . . . . 74.239999999999995 110.717 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HE2' HD13 ' A' ' 8' ' ' ILE . 71.3 mmtt -56.82 -41.87 78.6 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.988 0.915 . . . . 64.140000000000001 112.25 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -61.27 -40.44 94.13 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.062 0.945 . . . . 73.400000000000006 110.606 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 36.9 mtmt -65.42 -38.6 90.41 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.541 0.736 . . . . 71.510000000000005 110.569 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 79.8 mtp -73.46 -9.12 58.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.895 0.878 . . . . 64.129999999999995 111.776 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.09 -0.16 83.66 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 123.442 0.464 . . . . 71.340000000000003 112.02 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -87.88 55.74 3.6 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.562 1.145 . . . . 62.020000000000003 109.514 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.96 -25.63 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 113.769 -1.56 . . . . 74.329999999999998 110.793 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -59.89 -45.04 93.77 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.184 0.594 . . . . 74.239999999999995 109.83 174.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.217 -0.901 . . . . 72.519999999999996 110.433 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.07 73.23 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.686 0.795 . . . . 52.409999999999997 111.384 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 81' ' ' VAL . 95.3 mt -52.77 -52.25 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.059 1.344 . . . . 75.129999999999995 110.474 173.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.8 -34.19 76.76 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.053 0.845 . . . . 73.420000000000002 111.977 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.74 -36.44 65.15 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.98 0.512 . . . . 65.25 111.673 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.73 -27.98 62.37 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.48 0.488 . . . . 75.519999999999996 110.609 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.58 -45.01 63.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.228 0.611 . . . . 73.109999999999999 109.461 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 57' ' ' VAL . 95.5 mtt180 -59.74 -52.19 66.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.054 0.846 . . . . 64.319999999999993 109.348 173.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.55 72.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 124.265 0.978 . . . . 73.409999999999997 111.064 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.72 -36.16 83.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.075 0.95 . . . . 72.230000000000004 111.205 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -64.86 -42.06 95.18 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.87 0.868 . . . . 75.400000000000006 110.866 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' ARG . 90.4 t -71.58 -39.24 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-N 115.164 -0.926 . . . . 53.520000000000003 110.223 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.21 -33.36 75.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.517 0.727 . . . . 74.239999999999995 111.44 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.28 -38.76 92.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.988 0.915 . . . . 75.349999999999994 109.871 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.27 72.37 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.212 -0.904 . . . . 62.420000000000002 111.179 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.43 -15.43 60.91 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.31 0.644 . . . . 71.209999999999994 111.566 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.1 m170 61.24 27.77 17.44 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.562 1.145 . . . . 54.109999999999999 110.97 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -82.63 90.52 6.83 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.951 -1.129 . . . . 61.009999999999998 107.951 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.01 -27.85 69.7 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.042 -0.981 . . . . 75.349999999999994 112.449 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 29.2 t70 -68.46 -44.59 74.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.191 0.596 . . . . 73.340000000000003 110.958 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.67 -35.21 51.82 Favored Glycine 0 C--N 1.334 0.445 0 O-C-N 124.043 0.839 . . . . 63.149999999999999 112.216 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.02 97.46 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.049 0.54 . . . . 64.109999999999999 110.701 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 37.8 ptt85 -72.71 -30.98 64.66 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.197 0.599 . . . . 73.150000000000006 111.023 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 12.8 ttt180 -68.81 -48.96 62.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.873 1.269 . . . . 74.329999999999998 110.02 -174.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.62 66.08 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 114.262 -1.336 . . . . 73.349999999999994 110.675 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.49 86.04 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.513 0.725 . . . . 73.120000000000005 111.883 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -73.18 -41.77 63.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.618 -0.719 . . . . 74.310000000000002 109.809 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -67.2 -28.65 68.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.527 0.731 . . . . 62.340000000000003 111.402 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.24 -51.12 70.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.512 0.725 . . . . 74.530000000000001 110.011 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -56.74 -45.01 82.22 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 124.134 0.896 . . . . 74.209999999999994 110.776 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -33.22 75.03 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.389 1.476 . . . . 52.109999999999999 111.496 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 -47.54 35.57 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.573 0.749 . . . . 62.439999999999998 110.462 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -57.98 -24.83 59.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.443 0.697 . . . . 73.219999999999999 112.284 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -55.86 -43.12 76.8 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.102 0.961 . . . . 64.129999999999995 111.72 176.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -72.62 -32.58 66.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.867 0.867 . . . . 75.439999999999998 110.445 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG21 HD11 ' A' ' 48' ' ' ILE . 61.6 t . . . . . 0 CA--C 1.552 1.035 0 C-N-CA 123.962 0.905 . . . . 74.450000000000003 110.751 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 N--CA 1.492 1.408 0 CA-C-O 120.726 0.219 . . . . 74.510000000000005 112.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.71 -37.04 77.77 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.636 1.175 . . . . 74.329999999999998 111.888 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -61.85 -42.68 99.34 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.107 0.563 . . . . 74.450000000000003 110.726 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -68.75 -40.65 79.7 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.406 0.682 . . . . 65.219999999999999 110.122 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.43 -36.31 58.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.305 1.042 . . . . 71.0 110.724 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.75 76.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.663 0.785 . . . . 71.010000000000005 111.86 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -70.6 -35.34 72.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.111 0.564 . . . . 74.319999999999993 110.322 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.67 -27.25 60.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.167 0.587 . . . . 43.340000000000003 111.31 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.94 -38.13 61.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.669 0.787 . . . . 73.209999999999994 109.76 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -36.27 74.43 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.285 -0.635 . . . . 65.019999999999996 109.285 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.91 78.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.106 0.562 . . . . 34.420000000000002 110.581 174.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.72 -47.24 78.99 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.644 0.778 . . . . 73.420000000000002 109.781 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 72.0 mmtt -70.52 -32.74 70.32 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.19 0.931 . . . . 74.310000000000002 111.768 -177.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -67.08 -46.28 74.75 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.542 0.526 . . . . 74.010000000000005 109.621 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.75 -27.21 67.42 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.185 -0.916 . . . . 65.019999999999996 111.809 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.08 -35.44 59.38 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.429 1.091 . . . . 61.229999999999997 111.106 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 32.2 mm-40 -71.81 -32.68 67.83 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.341 -0.39 . . . . 74.340000000000003 110.578 175.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.15 -16.02 51.29 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.667 0.787 . . . . 64.530000000000001 110.66 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.7 t30 58.37 27.57 15.56 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.859 1.664 . . . . 75.049999999999997 111.904 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -73.44 95.68 2.26 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.555 -0.905 . . . . 50.210000000000001 108.555 173.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -53.48 40.22 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 124.416 1.073 . . . . 43.219999999999999 113.499 -172.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG3' ' HE1' ' A' ' 58' ' ' PHE . 32.6 tt0 -52.79 -46.7 67.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.054 0.942 . . . . 70.519999999999996 111.582 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -40.11 94.68 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.017 0.823 . . . . 63.25 110.003 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 56.1 mtm -61.57 -40.95 96.6 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.734 -0.666 . . . . 75.329999999999998 111.247 175.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.91 97.15 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.531 0.519 . . . . 74.310000000000002 111.838 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 87.0 mtt-85 -64.7 -38.47 91.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.27 0.628 . . . . 74.510000000000005 110.515 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.02 83.69 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.336 1.022 . . . . 73.420000000000002 110.897 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.94 -38.9 92.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.949 0.9 . . . . 63.329999999999998 111.105 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.91 -43.57 98.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.103 0.961 . . . . 72.540000000000006 110.323 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -65.24 -42.61 93.16 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.734 0.813 . . . . 73.349999999999994 111.127 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.88 -44.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.325 0.65 . . . . 75.340000000000003 109.857 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.13 98.29 Favored Glycine 0 C--N 1.348 1.227 0 O-C-N 124.38 1.05 . . . . 51.210000000000001 113.18 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.44 -40.9 88.28 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.126 0.57 . . . . 72.420000000000002 110.666 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 19.1 mt-10 -80.82 -27.05 36.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.51 0.724 . . . . 72.120000000000005 112.63 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.59 -40.35 96.73 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.118 -0.697 . . . . 73.409999999999997 109.118 170.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.417 ' HA ' HG22 ' A' ' 44' ' ' VAL . 47.2 t-20 -62.07 -48.89 78.17 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 114.566 -1.197 . . . . 75.010000000000005 111.159 -177.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 15.1 ptmt -68.83 -20.59 64.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.486 0.55 . . . . 64.230000000000004 112.486 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 72.6 mtm -80.59 -18.09 49.35 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.466 0.306 . . . . 72.349999999999994 111.732 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.97 1.91 67.02 Favored Glycine 0 N--CA 1.47 0.915 0 N-CA-C 111.967 -0.453 . . . . 71.510000000000005 111.967 -172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.56 54.15 2.43 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.176 -1.046 . . . . 71.140000000000001 108.176 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 39' ' ' ASN . 3.9 t -76.85 -22.37 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.37 -1.286 . . . . 60.409999999999997 110.878 -170.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -57.88 -45.61 86.14 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.541 0.336 . . . . 61.43 110.18 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.72 -45.38 93.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.684 -0.689 . . . . 64.299999999999997 110.19 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.55 70.74 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 124.01 0.924 . . . . 43.009999999999998 111.796 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.8 mt -56.96 -52.35 56.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.541 0 O-C-N 124.483 1.114 . . . . 70.239999999999995 110.026 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.6 -31.91 73.34 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.919 0.762 . . . . 75.019999999999996 111.707 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.68 -35.93 67.78 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.658 0.383 . . . . 74.140000000000001 111.101 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.57 -29.25 63.37 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 123.58 0.55 . . . . 73.430000000000007 109.912 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.6 mt -73.07 -44.44 60.59 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.324 0.65 . . . . 61.43 110.365 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 57' ' ' VAL . 26.7 mtp180 -66.39 -44.58 82.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.524 0.73 . . . . 75.120000000000005 109.4 178.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.22 70.83 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 123.999 0.812 . . . . 75.430000000000007 110.925 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.62 -45.61 85.15 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 124.432 1.082 . . . . 63.520000000000003 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -59.85 -38.22 81.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.4 1.062 . . . . 74.109999999999999 110.991 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.4 t -68.98 -43.74 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.775 -0.648 . . . . 74.019999999999996 109.83 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HE1' ' HG3' ' A' ' 25' ' ' GLU . 50.9 m-85 -64.4 -26.95 68.68 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.905 0.482 . . . . 75.219999999999999 111.818 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.47 -35.22 75.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.423 0.689 . . . . 64.25 109.726 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.02 -36.42 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.961 0.904 . . . . 51.219999999999999 110.989 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 25.6 mm-40 -76.48 -15.85 59.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.971 0.908 . . . . 72.329999999999998 111.185 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.7 m80 66.01 21.45 11.28 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 124.652 1.181 . . . . 54.299999999999997 111.663 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.7 88.01 7.06 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.734 -0.839 . . . . 65.409999999999997 108.734 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -59.92 -32.22 70.56 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.926 0.89 . . . . 54.229999999999997 111.582 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.04 -51.46 69.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.071 0.948 . . . . 72.230000000000004 110.42 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.49 -37.3 78.45 Favored Glycine 0 C--N 1.354 1.583 0 O-C-N 123.865 0.728 . . . . 63.240000000000002 113.218 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.997 0.519 . . . . 71.239999999999995 110.692 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.07 -29.06 67.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.045 -0.979 . . . . 71.019999999999996 111.396 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -65.31 -44.76 86.84 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.542 0.737 . . . . 74.140000000000001 110.737 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.65 78.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.718 -0.674 . . . . 55.409999999999997 110.691 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -68.73 -26.85 65.46 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.698 0.799 . . . . 72.209999999999994 112.369 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -68.88 -43.21 75.77 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.727 0.811 . . . . 65.439999999999998 109.741 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -69.2 -30.93 69.22 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 114.876 -1.056 . . . . 62.439999999999998 110.955 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 71' ' ' ALA . 28.1 mt -62.1 -45.74 92.16 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.774 0.83 . . . . 65.129999999999995 111.049 172.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 t -57.59 -37.42 73.17 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.132 0.895 . . . . 61.109999999999999 111.258 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -78.27 -37.63 44.58 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.042 0.937 . . . . 74.329999999999998 111.565 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.18 93.83 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.51 0.724 . . . . 62.310000000000002 111.383 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -66.76 -24.91 66.27 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.442 0.697 . . . . 42.43 112.302 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -67.67 -42.36 82.28 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.471 0.308 . . . . 61.219999999999999 111.196 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -83.09 -32.39 26.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 111.924 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 122.974 0.51 . . . . 74.340000000000003 109.861 178.075 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo . . . . . 0 N--CA 1.497 1.704 0 N-CA-C 114.662 0.985 . . . . 72.329999999999998 114.662 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.449 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 21.6 t70 -60.35 -47.8 84.47 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.711 0.805 . . . . 64.450000000000003 111.376 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.6 -31.34 57.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.775 -1.102 . . . . 41.310000000000002 110.291 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -68.62 -26.88 65.58 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.592 1.157 . . . . 63.229999999999997 111.132 -173.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 4' ' ' PRO . 96.7 mt -52.61 -41.59 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.527 1.131 . . . . 64.409999999999997 111.608 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.75 65.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.683 0.793 . . . . 74.230000000000004 112.456 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -65.3 -46.46 80.25 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 63.130000000000003 110.418 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.14 -24.87 62.35 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.605 0.762 . . . . 72.040000000000006 111.989 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.09 -39.72 86.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.473 0.709 . . . . 72.209999999999994 110.101 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -76.36 -32.8 58.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.493 -0.776 . . . . 73.329999999999998 110.457 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.46 78.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.112 0.565 . . . . 71.450000000000003 109.79 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.36 -45.53 79.82 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 115.14 -0.936 . . . . 65.209999999999994 109.945 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 19' ' ' GLU . 58.6 mttm -74.05 -24.17 59.49 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.739 0.649 . . . . 73.530000000000001 112.615 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -74.44 -35.08 63.35 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.203 -1.036 . . . . 63.25 108.203 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.6 75.53 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.596 -0.729 . . . . 32.399999999999999 111.249 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 37.1 tt0 -77.01 -39.25 50.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.732 1.613 . . . . 73.239999999999995 111.652 -173.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 9.3 pt-20 -62.55 -32.85 73.87 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.051 0.453 . . . . 72.120000000000005 110.206 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 59.6 mt -90.42 -17.81 26.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.844 0.858 . . . . 74.019999999999996 110.696 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.3 m120 60.02 27.92 17.39 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.648 1.179 . . . . 70.140000000000001 112.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.502 ' HG2' ' HB2' ' A' ' 21' ' ' LEU . 18.6 mm-40 -57.05 -72.66 0.08 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.742 0.817 . . . . 74.310000000000002 111.568 -172.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.08 -92.15 0.15 Allowed Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.393 -0.821 . . . . 63.009999999999998 111.499 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 6.8 pt-20 -56.03 -31.05 62.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.061 0.944 . . . . 64.239999999999995 112.895 -166.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.96 -46.42 89.47 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.896 0.878 . . . . 61.340000000000003 110.724 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.9 mtm -59.92 -43.98 94.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.73 0.412 . . . . 75.25 110.099 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.89 93.79 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.671 0.607 . . . . 71.310000000000002 112.92 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 65.1 mtt-85 -68.79 -42.95 76.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.755 0.822 . . . . 75.219999999999999 110.003 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.49 -51.77 67.27 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.254 0.971 . . . . 64.219999999999999 110.211 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 43.8 mt -55.55 -48.42 74.77 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.574 1.171 . . . . 64.430000000000007 110.792 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HE1' ' HA ' ' A' ' 70' ' ' ALA . 72.8 t80 -59.12 -45.83 89.89 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.534 0.734 . . . . 73.120000000000005 111.016 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.1 m-20 -67.35 -40.62 85.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.565 0.746 . . . . 72.420000000000002 111.328 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.448 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 84.9 mt -61.92 -41.9 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.046 0.539 . . . . 60.200000000000003 109.77 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.44 -38.02 95.08 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-N 115.222 -0.899 . . . . 72.140000000000001 111.814 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 96.0 mt -61.74 -45.77 92.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.081 0.553 . . . . 74.519999999999996 109.688 174.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 13.3 mm-40 -59.12 -41.15 87.51 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 123.801 0.688 . . . . 74.340000000000003 110.874 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 75.8 mmtt -62.53 -48.67 78.49 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.87 -0.604 . . . . 63.340000000000003 110.128 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -61.14 -33.62 73.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.378 1.071 . . . . 64.349999999999994 111.175 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 87.8 mttt -67.39 -39.47 85.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.864 0.866 . . . . 43.409999999999997 110.659 175.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.449 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 78.0 mtm -79.53 -6.28 56.66 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.726 0.81 . . . . 73.099999999999994 112.271 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.2 12.4 82.35 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 112.774 -0.13 . . . . 72.329999999999998 112.774 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.82 55.28 2.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.771 1.229 . . . . 74.439999999999998 109.287 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 48' ' ' ILE . 32.6 t -68.81 -25.64 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 123.578 0.751 . . . . 52.25 111.778 -169.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HE3' HG13 ' A' ' 81' ' ' VAL . 48.6 mmtm -62.7 -47.23 84.51 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.235 0.614 . . . . 73.299999999999997 110.937 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.39 -39.91 89.34 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.155 -0.929 . . . . 63.140000000000001 109.575 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.26 -46.63 72.7 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.058 0.943 . . . . 64.420000000000002 111.488 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.708 HD11 HG21 ' A' ' 81' ' ' VAL . 81.5 mt -52.96 -53.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 124.481 1.113 . . . . 62.310000000000002 110.494 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -39.23 66.35 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 124.378 1.049 . . . . 54.25 112.438 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 65.3 m-85 -73.42 -39.81 64.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.08 0.552 . . . . 71.540000000000006 111.934 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.16 -27.88 64.89 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.777 0.431 . . . . 73.129999999999995 110.897 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 85.5 mt -68.36 -48.84 63.72 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.114 -0.698 . . . . 64.150000000000006 109.114 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.6 mtt85 -69.3 -34.14 74.24 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.112 -1.404 . . . . 75.219999999999999 110.857 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.35 -50.48 67.6 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.136 0.574 . . . . 73.310000000000002 110.155 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.32 -41.47 93.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 114.94 -1.027 . . . . 74.319999999999993 110.668 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -44.68 94.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.723 1.209 . . . . 43.409999999999997 111.503 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 53' ' ' ARG . 66.4 t -65.84 -51.95 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.553 -0.748 . . . . 73.409999999999997 110.398 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -58.98 -36.01 74.16 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.623 0.577 . . . . 70.010000000000005 111.368 177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.27 -39.9 89.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.406 0.683 . . . . 54.009999999999998 110.67 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.64 75.06 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.768 0.667 . . . . 72.239999999999995 111.32 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -87.29 -9.33 55.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.383 1.073 . . . . 74.239999999999995 111.722 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 66.78 29.05 8.7 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.838 1.255 . . . . 62.310000000000002 111.079 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.69 98.48 6.24 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.445 -1.317 . . . . 73.129999999999995 107.445 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.3 t -64.1 -40.81 97.02 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.986 -1.006 . . . . 70.329999999999998 111.865 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.86 -55.99 26.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.746 0.418 . . . . 72.109999999999999 110.54 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.22 -34.46 75.39 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 124.797 1.31 . . . . 53.119999999999997 114.632 -170.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.81 70.62 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.902 -0.407 . . . . 54.240000000000002 109.902 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -69.56 -28.88 66.36 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.795 0.838 . . . . 74.530000000000001 111.082 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -69.41 -42.27 75.26 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.175 1.39 . . . . 61.229999999999997 110.519 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HA ' ' HE1' ' A' ' 32' ' ' TYR . . . -69.71 -38.61 77.0 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 114.881 -1.054 . . . . 65.400000000000006 110.011 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.23 71.18 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 124.061 0.851 . . . . 25.329999999999998 111.676 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -71.98 -45.97 59.04 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.319 1.048 . . . . 73.530000000000001 110.609 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -69.5 -30.04 67.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.37 -0.832 . . . . 43.149999999999999 110.121 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.64 -37.01 83.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.791 0.836 . . . . 75.209999999999994 111.298 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -64.2 -34.21 77.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.55 0.34 . . . . 74.129999999999995 110.952 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 58.1 mm-40 -70.68 -47.79 58.1 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.942 0.497 . . . . 63.140000000000001 110.657 170.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.0 73.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.111 0.964 . . . . 72.549999999999997 112.147 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -62.61 -33.89 75.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.183 0.993 . . . . 74.140000000000001 112.446 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -65.59 -47.0 77.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.267 -0.642 . . . . 75.120000000000005 109.267 175.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 76' ' ' GLU . 49.4 mttm -68.85 -20.42 64.29 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.374 0.67 . . . . 62.240000000000002 111.432 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 48' ' ' ILE . 39.0 t . . . . . 0 N--CA 1.475 0.806 0 C-N-CA 124.576 1.15 . . . . 72.25 111.243 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 N--CA 1.496 1.637 0 N-CA-C 114.003 0.732 . . . . 43.310000000000002 114.003 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 8' ' ' ILE . 32.6 t70 -65.88 -38.04 87.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.63 0.772 . . . . 73.439999999999998 111.566 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.13 -37.46 87.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.893 0.477 . . . . 72.439999999999998 110.377 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -69.88 -33.24 71.96 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 115.705 -0.679 . . . . 71.420000000000002 111.155 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 34' ' ' ILE . 58.1 mt -52.72 -50.93 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.212 0.605 . . . . 73.049999999999997 110.143 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.39 79.69 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 124.314 1.009 . . . . 74.340000000000003 111.329 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 84.3 tttt -66.2 -38.63 88.45 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.636 0.774 . . . . 74.140000000000001 111.449 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -75.75 -24.92 56.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.338 0.655 . . . . 65.129999999999995 110.602 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 50.0 mt-10 -70.7 -31.64 68.57 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.606 0.763 . . . . 74.329999999999998 110.772 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 26.8 mtpp -63.68 -42.39 98.05 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.411 0.684 . . . . 65.209999999999994 109.445 172.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.24 -29.55 66.38 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.251 -0.886 . . . . 55.509999999999998 111.26 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -68.86 -45.72 70.34 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.164 0.986 . . . . 71.349999999999994 111.232 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mmtp -76.41 -31.99 58.26 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.468 -0.787 . . . . 71.299999999999997 111.019 -176.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.51 -43.27 85.75 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.774 -0.454 . . . . 74.439999999999998 109.774 172.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.284 1.033 . . . . 54.100000000000001 111.222 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.316 1.046 . . . . 62.109999999999999 110.731 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 28.6 mm-40 -70.0 -31.56 69.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.001 0.52 . . . . 61.340000000000003 111.17 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.78 -13.77 59.79 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.304 0.642 . . . . 74.019999999999996 110.603 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 62.81 30.62 16.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.651 1.18 . . . . 73.530000000000001 111.086 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.429 ' HB2' HD12 ' A' ' 26' ' ' LEU . 73.7 mt-30 -110.4 105.73 14.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.303 -0.999 . . . . 74.140000000000001 108.303 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.65 -37.88 92.81 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.321 -0.854 . . . . 71.030000000000001 113.27 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.53 -36.74 69.56 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.518 0.727 . . . . 64.230000000000004 111.401 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 23' ' ' GLN . 78.2 mt -66.48 -43.25 85.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.998 0.919 . . . . 73.030000000000001 110.655 174.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.0 mtm -64.49 -35.22 80.22 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.622 0.769 . . . . 71.109999999999999 111.203 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.52 -45.97 80.86 Favored Glycine 0 C--N 1.347 1.152 0 N-CA-C 110.934 -0.866 . . . . 53.149999999999999 110.934 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.32 -35.25 76.86 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.537 0.735 . . . . 72.129999999999995 110.715 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.55 57.31 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.656 0.782 . . . . 43.140000000000001 111.031 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 96.3 mt -63.3 -36.36 83.42 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.627 0.771 . . . . 62.140000000000001 110.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 66.5 t80 -58.83 -49.76 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.466 1.106 . . . . 73.439999999999998 110.829 176.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 85.7 m-20 -66.19 -37.63 86.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.681 0.792 . . . . 65.430000000000007 111.281 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 8' ' ' ILE . 95.1 mt -59.72 -43.16 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.776 0.83 . . . . 51.530000000000001 110.013 173.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.43 89.57 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 114.967 -1.015 . . . . 74.329999999999998 112.514 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.79 -38.77 92.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.106 0.562 . . . . 65.519999999999996 110.547 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 27.2 mm-40 -70.76 -40.79 72.47 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.883 0.74 . . . . 72.420000000000002 110.677 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 8' ' ' ILE . 73.8 mmtt -59.77 -45.12 93.25 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.144 0.577 . . . . 72.540000000000006 110.142 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.91 -44.04 97.16 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.533 1.133 . . . . 72.25 110.836 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -74.66 -21.11 59.59 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.16 0.584 . . . . 71.510000000000005 111.605 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.6 mtp -84.32 -0.86 54.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.57 0.748 . . . . 73.230000000000004 111.706 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.54 1.98 90.56 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.276 0.36 . . . . 62.130000000000003 112.993 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -93.28 56.0 2.39 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.844 1.258 . . . . 64.140000000000001 108.702 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.2 t -65.53 -25.44 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 CA-C-N 113.217 -1.811 . . . . 73.219999999999999 111.311 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' HG13 ' A' ' 81' ' ' VAL . 34.6 mmtp -63.48 -51.9 63.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.205 0.602 . . . . 74.019999999999996 111.091 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.02 -32.71 74.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.043 0.839 . . . . 73.340000000000003 110.774 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.67 72.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.772 0.829 . . . . 60.310000000000002 110.903 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.35 -46.11 81.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 124.884 1.274 . . . . 62.530000000000001 110.702 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -53.89 -45.51 71.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.327 1.017 . . . . 61.009999999999998 110.928 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 40.6 m-85 -73.62 -32.01 63.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.366 -0.834 . . . . 75.019999999999996 112.731 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -74.7 -28.67 60.91 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.301 0.375 . . . . 73.140000000000001 110.444 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -75.41 -41.38 56.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.464 0.706 . . . . 63.509999999999998 109.618 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 57' ' ' VAL . 72.1 mtt85 -70.62 -35.92 73.19 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.125 -0.943 . . . . 71.109999999999999 110.562 175.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.65 68.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.255 0.622 . . . . 62.130000000000003 110.146 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.64 -34.96 79.43 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 124.578 1.174 . . . . 63.229999999999997 110.691 -178.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.95 -47.66 77.19 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.627 0.771 . . . . 55.329999999999998 110.923 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 53' ' ' ARG . 25.2 t -70.57 -34.42 57.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.743 -0.662 . . . . 75.140000000000001 110.127 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.76 -37.82 87.39 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.123 0.569 . . . . 71.150000000000006 111.338 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.47 -33.16 72.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.408 0.683 . . . . 62.119999999999997 109.677 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.37 85.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.597 0.759 . . . . 71.140000000000001 110.637 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.85 -14.0 58.99 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.739 0.816 . . . . 72.140000000000001 111.831 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.8 m80 68.97 22.66 6.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.96 1.304 . . . . 73.129999999999995 110.463 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -88.42 101.5 13.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.538 1.135 . . . . 63.25 109.309 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.172 0.589 . . . . 75.25 111.777 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.81 -47.18 78.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.542 0.737 . . . . 71.310000000000002 110.734 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.78 -32.04 61.75 Favored Glycine 0 C--N 1.339 0.742 0 O-C-N 124.142 0.901 . . . . 51.009999999999998 112.734 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.4 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.738 0.415 . . . . 72.5 110.412 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.31 -35.11 66.02 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.227 1.011 . . . . 64.040000000000006 110.856 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.5 tpp180 -60.17 -46.23 90.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.952 0.901 . . . . 72.450000000000003 109.487 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.25 84.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 114.646 -1.161 . . . . 74.049999999999997 110.866 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.274 0.842 . . . . 71.230000000000004 113.274 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -75.61 -40.18 56.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.391 0.676 . . . . 75.5 109.585 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.6 m -70.55 -29.71 66.25 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.416 -0.811 . . . . 62.409999999999997 111.073 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -69.86 -42.91 72.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.892 0.877 . . . . 70.349999999999994 110.555 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 31.2 t -60.01 -41.79 92.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.909 0.755 . . . . 62.5 110.113 -177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 43.4 mt-10 -65.03 -45.46 85.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.657 0.598 . . . . 74.010000000000005 111.268 171.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.58 79.73 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.112 0.882 . . . . 61.329999999999998 111.339 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -66.53 -32.46 73.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.97 0.908 . . . . 72.310000000000002 111.652 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 75' ' ' SER . 77.1 mt-30 -62.61 -44.03 97.33 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.374 0.67 . . . . 74.319999999999993 110.912 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 44.7 mttm -72.46 -36.54 68.51 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.803 0.841 . . . . 65.099999999999994 110.327 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 45' ' ' LYS . 5.1 t . . . . . 0 N--CA 1.481 1.082 0 C-N-CA 124.802 1.241 . . . . 73.109999999999999 111.342 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HA ' HD22 ' A' ' 7' ' ' ASN . 98.4 Cg_exo . . . . . 0 CA--C 1.545 1.052 0 N-CA-C 113.298 0.461 . . . . 73.129999999999995 113.298 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.82 -47.17 86.31 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.212 1.005 . . . . 73.340000000000003 111.012 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.76 -27.29 61.93 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.261 -0.427 . . . . 74.109999999999999 110.888 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 4' ' ' PRO . 83.4 m-20 -66.65 -38.76 87.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.011 0.524 . . . . 72.319999999999993 109.822 177.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.87 -38.33 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.141 0.976 . . . . 73.329999999999998 110.666 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.19 82.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.356 0.662 . . . . 74.239999999999995 111.312 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.04 -47.45 82.96 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.472 0.653 . . . . 63.530000000000001 109.788 172.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -70.68 -21.3 62.6 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.783 -1.099 . . . . 55.32 111.404 -174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.72 -42.15 97.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.862 0.865 . . . . 65.340000000000003 110.913 171.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -37.73 88.1 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.231 -0.655 . . . . 44.43 109.231 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.46 91.16 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.656 0.598 . . . . 63.229999999999997 111.497 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -74.29 -49.95 20.93 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.603 0.761 . . . . 64.450000000000003 111.362 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.11 -32.83 63.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.543 0.737 . . . . 74.010000000000005 111.503 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 56.8 tttp -78.3 -28.45 47.46 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 110.199 -0.297 . . . . 41.310000000000002 110.199 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.17 94.97 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.351 0.596 . . . . 73.209999999999994 110.027 169.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.93 -43.28 75.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.982 1.313 . . . . 71.409999999999997 111.576 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 14.5 pt-20 -67.15 -30.23 70.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 120.832 0.348 . . . . 64.319999999999993 110.606 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.76 -9.08 59.06 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.77 0.828 . . . . 74.109999999999999 111.531 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.59 21.25 9.49 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.337 1.455 . . . . 72.519999999999996 111.528 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -96.82 101.83 13.5 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.849 -0.797 . . . . 70.450000000000003 108.849 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.07 91.56 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 114.856 -1.065 . . . . 74.030000000000001 113.083 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -54.16 -41.13 68.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.591 0.756 . . . . 52.350000000000001 111.935 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.81 -37.58 67.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.966 0.906 . . . . 74.340000000000003 110.854 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.47 -41.11 93.72 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.557 0.536 . . . . 55.130000000000003 110.764 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.89 96.74 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.96 0.787 . . . . 72.219999999999999 111.474 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -56.45 -44.86 80.89 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.236 0.614 . . . . 64.0 110.408 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.94 73.09 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.235 0.959 . . . . 62.140000000000001 111.692 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.14 -46.34 87.67 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.136 0.974 . . . . 74.230000000000004 111.446 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -56.16 -47.13 78.82 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.271 0.982 . . . . 73.420000000000002 110.322 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.1 t30 -69.0 -37.46 78.72 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.602 -1.181 . . . . 73.129999999999995 110.898 -173.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.0 -37.34 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.978 0.911 . . . . 74.400000000000006 110.007 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.94 -37.29 94.68 Favored Glycine 0 C--N 1.343 0.944 0 O-C-N 123.891 0.744 . . . . 55.32 112.37 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.93 -37.61 87.7 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.984 0.514 . . . . 63.100000000000001 110.299 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 7.1 mm-40 -73.1 -36.25 66.74 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.763 -0.653 . . . . 63.240000000000002 110.908 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.86 -42.4 85.75 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.949 0.499 . . . . 72.019999999999996 110.028 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.89 -45.15 95.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.041 0.936 . . . . 63.409999999999997 110.131 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -76.33 -22.05 55.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.492 0.717 . . . . 62.43 112.004 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.4 mtp -80.98 2.42 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.429 0.691 . . . . 74.519999999999996 111.639 173.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.77 78.34 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 122.794 0.235 . . . . 73.209999999999994 112.802 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -85.19 58.26 4.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.593 1.157 . . . . 52.140000000000001 110.247 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 80' ' ' LYS . 46.8 t -71.05 -30.34 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.691 0.796 . . . . 70.209999999999994 111.186 -173.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HE2' HG22 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -71.0 -40.58 71.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.112 0.565 . . . . 62.530000000000001 109.941 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.25 -43.0 99.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.598 0.759 . . . . 64.519999999999996 109.907 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.6 91.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.042 0.937 . . . . 72.219999999999999 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.1 mt -53.63 -50.94 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.301 1.04 . . . . 73.209999999999994 109.983 175.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.52 -35.05 75.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.624 0.769 . . . . 64.310000000000002 111.463 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.37 -40.64 77.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.957 0.503 . . . . 70.230000000000004 111.478 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.53 -29.99 65.39 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.381 0.426 . . . . 73.409999999999997 110.405 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 81.9 mt -70.26 -46.36 64.54 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.832 0.853 . . . . 64.209999999999994 109.638 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' VAL . 82.3 mtp180 -63.72 -48.59 76.44 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 124.082 0.864 . . . . 62.119999999999997 109.651 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.55 72.43 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.971 0.908 . . . . 72.129999999999995 110.821 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.92 -42.39 90.18 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.141 -0.936 . . . . 73.150000000000006 110.499 -177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -61.81 -37.2 83.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.949 0.9 . . . . 42.399999999999999 110.906 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 53' ' ' ARG . 94.7 t -71.89 -40.18 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.291 -0.868 . . . . 65.109999999999999 110.051 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -64.16 -33.03 74.85 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.462 0.705 . . . . 74.150000000000006 110.888 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -66.73 -40.68 88.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.879 0.872 . . . . 73.140000000000001 109.323 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -27.36 64.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.363 -0.835 . . . . 74.549999999999997 111.364 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -80.31 -11.8 59.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.714 0.806 . . . . 54.100000000000001 111.048 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 64.09 24.98 13.65 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.036 0.934 . . . . 55.119999999999997 110.838 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.38 100.82 12.54 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.902 1.281 . . . . 35.399999999999999 108.587 175.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 t -73.37 -31.28 63.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.349 -0.842 . . . . 75.040000000000006 110.654 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.0 -50.66 72.88 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.244 1.018 . . . . 63.130000000000003 111.014 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.93 -36.15 61.21 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 115.374 -0.83 . . . . 62.210000000000001 112.568 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.52 94.06 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.962 0.448 . . . . 72.239999999999995 111.198 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -74.03 -32.08 63.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.552 1.141 . . . . 74.200000000000003 111.448 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttp-105 -68.42 -38.34 81.14 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 73.319999999999993 110.257 176.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.51 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.226 -0.897 . . . . 71.0 110.22 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.9 74.37 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.952 0.901 . . . . 73.310000000000002 111.505 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.39 -44.74 78.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.352 0.661 . . . . 75.239999999999995 110.019 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 t -68.26 -33.93 75.26 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.412 -0.813 . . . . 63.350000000000001 110.355 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.4 -38.58 91.71 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.599 -0.728 . . . . 71.430000000000007 111.034 172.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.46 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 26.0 t -61.08 -37.27 82.09 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.132 0.573 . . . . 75.400000000000006 110.057 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.62 -40.29 61.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.67 0.788 . . . . 73.319999999999993 111.0 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.66 88.05 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.559 0.744 . . . . 63.100000000000001 111.531 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.889 0.476 . . . . 74.109999999999999 110.8 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 75' ' ' SER . 74.9 mt-30 -59.47 -36.38 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.34 0.59 . . . . 74.140000000000001 111.016 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HB2' HG11 ' A' ' 44' ' ' VAL . 93.4 mttt -82.67 -6.62 59.47 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.607 -1.179 . . . . 71.430000000000007 111.831 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.424 HG22 ' HE2' ' A' ' 45' ' ' LYS . 86.1 t . . . . . 0 CA--C 1.549 0.934 0 C-N-CA 123.831 0.853 . . . . 73.120000000000005 109.456 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 N--CA 1.496 1.646 0 N-CA-C 115.794 1.421 . . . . 75.450000000000003 115.794 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 t70 -69.81 -23.3 63.3 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.286 0.476 . . . . 74.310000000000002 112.286 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.19 -36.88 61.38 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.051 0.54 . . . . 74.349999999999994 109.689 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.586 -0.734 . . . . 64.150000000000006 109.714 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 5' ' ' ASP . 80.1 mt -60.7 -42.23 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.547 1.139 . . . . 74.340000000000003 111.589 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -31.59 67.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.263 0.625 . . . . 74.219999999999999 111.229 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -75.17 -44.15 48.36 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.057 0.943 . . . . 71.25 110.72 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.65 -24.88 64.59 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.633 0.773 . . . . 75.450000000000003 111.612 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -41.74 47.69 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.839 1.255 . . . . 64.409999999999997 108.284 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -68.95 -32.39 71.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.557 -0.747 . . . . 71.109999999999999 110.307 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.12 61.3 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.024 0.929 . . . . 64.140000000000001 110.71 175.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.59 -46.39 63.54 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.981 0.912 . . . . 53.219999999999999 110.056 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.4 mmtm -65.47 -35.36 80.68 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.196 0.935 . . . . 73.400000000000006 111.196 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -67.15 -46.5 73.87 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.075 0.95 . . . . 74.349999999999994 109.77 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.36 75.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.605 1.162 . . . . 54.200000000000003 111.256 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.18 -35.76 66.45 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.872 1.269 . . . . 74.409999999999997 109.464 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 44.0 mm-40 -63.25 -38.27 90.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.15 0.58 . . . . 71.030000000000001 110.706 174.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.65 -15.24 59.32 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.063 -0.971 . . . . 74.030000000000001 111.34 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.85 24.5 14.6 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.996 1.318 . . . . 62.149999999999999 110.464 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.406 ' HB2' HD12 ' A' ' 26' ' ' LEU . 79.0 mt-30 -96.87 99.85 11.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.905 . . . . 74.439999999999998 109.397 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.84 -22.63 78.69 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 115.148 -0.933 . . . . 64.209999999999994 114.728 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.32 -47.45 86.0 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.241 -0.651 . . . . 64.310000000000002 109.241 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' A' ' 23' ' ' GLN . 96.8 mt -62.46 -45.27 93.82 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.712 -1.131 . . . . 71.409999999999997 110.894 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -62.43 -40.58 97.03 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.545 0.738 . . . . 74.140000000000001 111.816 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.62 75.49 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.234 -0.894 . . . . 54.030000000000001 111.36 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.19 -31.73 73.05 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.611 0.765 . . . . 54.329999999999998 110.691 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.31 66.32 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.612 0.765 . . . . 32.409999999999997 110.27 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.27 -33.41 75.26 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.004 0.922 . . . . 64.549999999999997 111.621 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 45.8 t80 -65.84 -45.05 83.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.493 0.717 . . . . 73.019999999999996 109.079 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 93.9 m-20 -66.13 -45.33 81.44 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.98 0.8 . . . . 73.109999999999999 111.006 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 90.4 mt -56.2 -41.67 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.338 0.655 . . . . 54.420000000000002 109.75 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.32 89.04 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.092 0.87 . . . . 64.150000000000006 112.717 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 90.0 mt -59.54 -37.32 78.09 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.585 0.754 . . . . 63.450000000000003 110.311 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 25.7 mm-40 -66.84 -47.91 70.49 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.029 0.831 . . . . 75.420000000000002 110.391 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 72.6 mmtt -57.17 -38.89 74.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.011 0.434 . . . . 74.510000000000005 110.563 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -64.6 -46.91 80.65 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.617 1.167 . . . . 54.009999999999998 110.149 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -76.65 -16.4 59.56 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.346 0.659 . . . . 54.329999999999998 111.983 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 90.4 mtp -74.74 -22.35 58.85 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.972 0.509 . . . . 73.530000000000001 110.594 171.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.24 -17.5 40.57 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.127 -0.488 . . . . 70.510000000000005 112.248 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -87.66 64.23 7.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.087 0.946 . . . . 74.230000000000004 109.954 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.63 -25.25 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 113.72 -1.582 . . . . 71.030000000000001 110.828 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -40.82 91.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.788 1.235 . . . . 63.439999999999998 110.917 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.69 -38.94 70.51 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.154 0.582 . . . . 61.310000000000002 110.148 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -41.65 67.66 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.507 1.123 . . . . 73.109999999999999 111.375 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -52.28 -54.29 15.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 O-C-N 124.885 1.366 . . . . 64.049999999999997 111.27 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.44 -34.08 74.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.47 0.708 . . . . 72.430000000000007 111.961 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -73.59 -34.07 64.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.259 0.624 . . . . 71.349999999999994 112.393 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.83 -29.26 58.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.598 0.359 . . . . 74.310000000000002 110.389 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.31 -44.5 71.64 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.625 0.77 . . . . 73.420000000000002 109.296 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 57' ' ' VAL . 66.1 mtt-85 -66.49 -47.93 71.45 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 114.621 -1.172 . . . . 64.510000000000005 110.257 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.47 72.22 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.143 0.902 . . . . 72.109999999999999 111.206 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.92 -34.79 78.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.373 1.069 . . . . 74.109999999999999 111.567 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.53 -39.2 70.88 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.922 0.889 . . . . 71.420000000000002 111.021 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 53' ' ' ARG . 50.0 t -69.63 -38.63 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 109.185 -0.672 . . . . 74.409999999999997 109.185 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.28 -29.89 69.62 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.712 0.805 . . . . 75.450000000000003 111.697 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.82 -40.18 83.83 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.114 -0.698 . . . . 62.109999999999999 109.114 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.64 90.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.316 0.647 . . . . 62.210000000000001 110.644 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 12.1 mm-40 -76.93 -16.3 59.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.671 -0.695 . . . . 74.530000000000001 111.977 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 m80 60.81 26.74 16.56 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.571 1.149 . . . . 45.43 110.177 -173.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.67 101.22 10.69 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.315 1.046 . . . . 63.130000000000003 108.711 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 t -66.95 -29.63 69.54 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.313 -0.858 . . . . 65.010000000000005 112.114 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.5 -59.41 5.28 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.229 0.612 . . . . 62.43 110.695 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.23 -32.27 65.59 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 124.236 0.96 . . . . 64.340000000000003 113.416 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.49 97.35 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.54 0.336 . . . . 74.129999999999995 110.451 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -73.06 -30.52 63.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.441 0.697 . . . . 71.209999999999994 111.246 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -60.24 -48.61 81.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.582 0.753 . . . . 64.200000000000003 110.445 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.46 -34.42 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 114.926 -1.034 . . . . 73.519999999999996 110.638 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.66 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.56 0.744 . . . . 63.329999999999998 111.678 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -67.09 -48.45 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.418 1.087 . . . . 52.219999999999999 109.271 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -68.69 -29.93 68.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.294 -0.866 . . . . 74.109999999999999 110.879 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.44 -45.48 87.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.916 0.886 . . . . 74.109999999999999 110.743 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 t -59.63 -39.33 83.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.632 0.373 . . . . 74.450000000000003 110.326 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.03 -37.8 75.7 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.97 0.508 . . . . 42.530000000000001 110.128 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.57 81.2 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.929 0.892 . . . . 74.349999999999994 111.226 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.262 0.625 . . . . 73.099999999999994 111.745 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -68.91 -28.32 66.56 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.676 0.39 . . . . 72.319999999999993 110.981 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.43 -44.8 16.97 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.273 0.629 . . . . 54.299999999999997 110.865 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.3 t . . . . . 0 N--CA 1.482 1.138 0 C-N-CA 124.116 0.966 . . . . 71.319999999999993 110.53 -178.858 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 8' ' ' ILE . 9.9 Cg_endo . . . . . 0 N--CA 1.487 1.128 0 N-CA-C 112.642 0.208 . . . . 62.420000000000002 112.642 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.568 ' HA ' HD12 ' A' ' 8' ' ' ILE . 34.6 t70 -58.69 -43.61 90.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.361 1.064 . . . . 72.140000000000001 111.376 174.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -69.43 -38.18 77.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.254 0.622 . . . . 74.239999999999995 111.548 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -66.03 -30.74 71.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.816 0.447 . . . . 71.120000000000005 111.479 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.8 mt -52.96 -43.43 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 124.341 1.056 . . . . 72.340000000000003 111.161 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.55 74.61 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 124.183 0.927 . . . . 72.049999999999997 111.998 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.64 -39.93 88.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.02 0.928 . . . . 62.219999999999999 110.66 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.3 -28.45 65.2 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.994 -0.548 . . . . 74.120000000000005 110.868 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 52.5 mt-10 -73.97 -33.53 63.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.446 0.698 . . . . 75.299999999999997 110.919 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -69.14 -37.29 78.2 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.988 0.423 . . . . 72.239999999999995 109.918 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.48 66.53 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.982 -1.008 . . . . 63.329999999999998 110.828 174.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.45 -43.87 59.36 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.628 1.171 . . . . 54.140000000000001 111.199 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 34.3 mmtp -76.48 -33.21 58.68 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.878 0.471 . . . . 74.420000000000002 111.146 -176.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -67.84 -44.71 76.57 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 109.442 -0.577 . . . . 74.319999999999993 109.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.26 70.29 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.845 0.858 . . . . 52.119999999999997 111.304 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.28 -48.82 79.64 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.857 1.263 . . . . 70.299999999999997 111.787 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.19 -19.72 61.04 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.574 0.349 . . . . 73.030000000000001 111.306 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.7 -9.39 58.88 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.555 0.742 . . . . 72.219999999999999 111.191 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 t30 66.21 19.96 11.09 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.137 1.375 . . . . 64.219999999999999 110.822 -176.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -93.1 89.79 6.62 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.904 -0.776 . . . . 74.450000000000003 108.904 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.55 -22.61 76.64 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 114.724 -1.125 . . . . 74.019999999999996 113.21 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 7.0 pt-20 -61.73 -43.91 97.94 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 109.749 -0.463 . . . . 75.209999999999994 109.749 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.8 -42.89 97.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.092 0.957 . . . . 74.230000000000004 110.23 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 mtm -62.93 -36.74 84.42 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.698 0.624 . . . . 54.450000000000003 111.713 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.57 -43.75 75.33 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.323 -0.711 . . . . 62.240000000000002 111.323 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 24.0 mtt-85 -66.56 -33.6 76.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.392 0.677 . . . . 75.329999999999998 109.969 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -51.86 65.51 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.155 0.909 . . . . 62.329999999999998 110.207 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.9 mt -64.01 -34.89 79.04 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.891 0.745 . . . . 65.040000000000006 111.197 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -62.82 -47.79 81.89 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.537 0.735 . . . . 75.409999999999997 109.945 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 91.0 m-20 -67.94 -41.68 82.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.311 0.645 . . . . 65.430000000000007 111.092 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.5 mt -58.62 -41.08 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.46 0.704 . . . . 71.400000000000006 109.958 174.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.36 97.2 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.289 -0.869 . . . . 44.109999999999999 111.937 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.0 mt -64.47 -35.76 81.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.306 0.642 . . . . 74.219999999999999 111.048 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.0 mm-40 -65.58 -43.22 90.43 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.48 0.487 . . . . 62.509999999999998 110.457 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HE2' HD13 ' A' ' 8' ' ' ILE . 5.2 mptp? -60.76 -44.2 97.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.875 0.87 . . . . 74.549999999999997 110.072 174.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -63.26 -35.59 80.84 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 124.257 0.973 . . . . 60.210000000000001 110.721 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 34.5 mtmm -71.75 -30.39 65.55 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.29 0.636 . . . . 74.120000000000005 111.295 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.411 ' HE3' ' HD2' ' A' ' 43' ' ' LYS . 77.4 mtm -81.53 -4.11 55.07 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.03 0.532 . . . . 73.340000000000003 111.3 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.96 88.06 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 120.064 -0.298 . . . . 45.439999999999998 112.977 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HD2' ' HE3' ' A' ' 41' ' ' MET . 92.4 mttt -89.54 62.29 5.87 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.056 1.342 . . . . 74.549999999999997 108.799 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 t -72.02 -27.01 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.35 -1.295 . . . . 71.310000000000002 112.007 -166.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HE3' HG13 ' A' ' 81' ' ' VAL . 10.7 mptt -63.97 -42.16 97.32 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 110.338 -0.245 . . . . 72.209999999999994 110.338 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.43 -43.43 94.35 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.81 0.694 . . . . 74.040000000000006 110.327 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.9 -44.24 70.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.076 0.951 . . . . 64.209999999999994 110.843 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 81' ' ' VAL . 96.6 mt -56.41 -48.71 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.898 1.279 . . . . 73.430000000000007 111.295 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.37 -47.13 76.25 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.326 1.016 . . . . 72.439999999999998 110.326 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 57.2 m-85 -66.3 -39.13 89.13 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.186 0.929 . . . . 70.219999999999999 112.364 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.65 -29.61 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.382 0.426 . . . . 75.209999999999994 110.922 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.13 -43.02 59.05 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.54 0.736 . . . . 72.329999999999998 110.323 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 57' ' ' VAL . 75.6 mtt180 -66.51 -46.96 74.49 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.43 -0.804 . . . . 73.329999999999998 109.581 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.02 75.43 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.671 1.232 . . . . 74.099999999999994 110.562 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.17 -39.77 91.39 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 111.725 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -68.94 -45.76 69.95 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.243 0.617 . . . . 73.019999999999996 110.977 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.8 t -66.99 -32.37 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 C-N-CA 123.519 0.728 . . . . 74.129999999999995 110.144 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -67.22 -45.55 76.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.186 0.994 . . . . 72.319999999999993 110.244 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.16 -40.27 85.07 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.983 0.913 . . . . 52.520000000000003 111.439 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.53 79.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.184 -0.916 . . . . 71.019999999999996 111.184 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 12.2 mm-40 -85.75 -7.93 58.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 74.310000000000002 112.045 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.2 m80 64.76 24.24 12.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 124.527 1.131 . . . . 71.019999999999996 111.283 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.37 70.44 10.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.9 1.28 . . . . 72.129999999999995 107.576 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -73.43 -31.66 63.95 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.301 -0.863 . . . . 74.239999999999995 112.772 -166.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.77 -32.05 65.35 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.706 0.402 . . . . 74.400000000000006 110.772 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.23 86.16 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.441 -0.663 . . . . 42.240000000000002 111.441 172.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.91 83.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.926 0.89 . . . . 53.43 111.116 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -70.6 -34.07 71.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.546 1.539 . . . . 71.549999999999997 110.948 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -75.5 -35.1 60.86 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 73.439999999999998 109.975 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.71 94.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 115.703 -0.68 . . . . 32.229999999999997 109.561 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -72.19 -30.27 64.79 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.265 1.026 . . . . 55.439999999999998 111.79 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.59 -37.25 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.423 0.689 . . . . 63.350000000000001 110.231 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -71.46 -31.09 66.77 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.485 -0.78 . . . . 73.140000000000001 109.452 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 71' ' ' ALA . 14.5 mt -62.79 -52.39 63.38 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.177 0.991 . . . . 72.109999999999999 111.302 175.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.7 p -59.52 -38.78 81.87 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.616 0.572 . . . . 34.219999999999999 111.46 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -34.95 77.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.494 1.118 . . . . 75.010000000000005 111.335 174.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.61 63.63 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.949 0.9 . . . . 72.5 111.732 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -61.31 -30.86 70.76 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.494 0.718 . . . . 73.349999999999994 112.064 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -60.8 -35.78 77.34 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.414 0.686 . . . . 63.030000000000001 110.966 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -74.15 -34.39 63.83 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.008 -0.996 . . . . 72.510000000000005 110.411 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.677 HG13 ' HE3' ' A' ' 45' ' ' LYS . 57.2 t . . . . . 0 N--CA 1.485 1.321 0 C-N-CA 124.26 1.024 . . . . 73.209999999999994 110.669 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 N--CA 1.491 1.357 0 N-CA-C 113.072 0.374 . . . . 74.019999999999996 113.072 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.35 -40.29 85.95 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.22 1.008 . . . . 61.020000000000003 112.013 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.37 -33.71 69.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.907 0.883 . . . . 72.239999999999995 110.739 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.4 -42.23 92.82 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.519 -0.764 . . . . 73.409999999999997 111.09 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.52 -48.12 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.732 0.813 . . . . 74.340000000000003 110.612 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.64 68.52 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.347 0.659 . . . . 54.020000000000003 111.843 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -74.99 -37.61 61.82 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.165 0.986 . . . . 71.140000000000001 111.342 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.48 -29.78 66.4 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.489 0.315 . . . . 75.450000000000003 110.679 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.54 -34.68 70.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.542 0.737 . . . . 71.439999999999998 111.051 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -71.81 -39.55 69.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.185 0.594 . . . . 44.210000000000001 110.254 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.27 -27.74 60.88 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.257 -0.883 . . . . 74.219999999999999 111.101 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -58.45 -49.47 77.21 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.549 1.14 . . . . 72.010000000000005 111.184 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -30.9 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.826 . . . . 62.219999999999999 112.087 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -61.52 -43.59 98.59 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.099 0.56 . . . . 74.040000000000006 110.155 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.69 65.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.423 -0.808 . . . . 64.129999999999995 111.52 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.87 -41.66 78.07 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.007 0.923 . . . . 73.530000000000001 111.578 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.05 -27.72 61.06 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.506 -0.77 . . . . 74.120000000000005 111.013 -178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -85.75 -4.74 59.24 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.736 0.814 . . . . 55.310000000000002 111.096 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 65.19 21.44 12.11 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.095 1.358 . . . . 60.329999999999998 111.58 177.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.558 ' HB3' HD13 ' A' ' 26' ' ' LEU . 77.0 mt-30 -82.86 79.51 9.21 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.402 1.081 . . . . 74.109999999999999 108.66 175.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.77 -29.6 75.72 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.226 -0.897 . . . . 74.230000000000004 113.108 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.83 -44.66 82.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.222 1.009 . . . . 75.319999999999993 111.295 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 23' ' ' GLN . 6.4 mp -75.56 -28.04 58.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.708 0.803 . . . . 64.540000000000006 111.611 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.1 mtm -68.27 -37.61 80.9 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.171 0.589 . . . . 71.430000000000007 110.733 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.83 -40.98 89.39 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-N 115.529 -0.759 . . . . 73.010000000000005 111.273 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.23 -38.47 83.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.045 0.938 . . . . 64.430000000000007 110.568 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.29 58.04 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 122.925 0.49 . . . . 61.240000000000002 111.191 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.66 -33.18 75.08 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.844 0.715 . . . . 64.209999999999994 111.392 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -63.13 -49.0 76.14 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.384 0.674 . . . . 53.219999999999999 110.149 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.7 m-20 -66.99 -33.23 75.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.153 -0.931 . . . . 53.149999999999999 111.52 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.26 -43.76 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.318 0.647 . . . . 71.230000000000004 109.775 172.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.68 -36.86 93.86 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 124.027 0.829 . . . . 31.309999999999999 112.319 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.2 mt -62.1 -45.61 92.72 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.456 0.702 . . . . 73.340000000000003 109.801 174.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 8.8 mm-40 -65.34 -36.89 85.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.684 0.615 . . . . 40.009999999999998 111.797 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -63.44 -44.04 95.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.919 0.487 . . . . 71.120000000000005 110.212 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.59 -40.87 96.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.023 0.929 . . . . 73.310000000000002 110.123 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 74.0 mmtt -61.47 -39.74 91.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.754 0.822 . . . . 65.310000000000002 111.361 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -84.4 -3.57 58.4 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.483 -0.781 . . . . 63.450000000000003 111.704 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.39 7.23 86.81 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.724 -0.486 . . . . 62.140000000000001 113.829 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -84.89 66.2 9.58 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 107.551 -1.277 . . . . 74.030000000000001 107.551 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.593 HG11 ' HB2' ' A' ' 80' ' ' LYS . 47.6 t -74.11 -26.98 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 114.807 -1.088 . . . . 74.219999999999999 112.148 -167.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -68.89 -44.15 73.81 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.908 -0.405 . . . . 71.239999999999995 109.908 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.55 -28.66 67.16 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 123.804 0.69 . . . . 75.5 110.652 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.39 81.85 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.852 0.72 . . . . 60.039999999999999 110.515 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.57 -48.91 82.12 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 124.819 1.324 . . . . 55.219999999999999 111.256 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.19 -44.0 87.82 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.986 0.803 . . . . 74.439999999999998 110.679 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.35 -32.27 64.43 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.808 0.67 . . . . 75.510000000000005 112.808 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -69.49 -32.03 70.66 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 118.011 0.369 . . . . 75.400000000000006 110.786 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.9 -45.25 61.91 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 124.126 0.891 . . . . 71.099999999999994 109.513 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 57' ' ' VAL . 96.1 mtt180 -63.65 -43.57 96.39 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.12 0.887 . . . . 73.340000000000003 110.381 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.54 81.3 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 123.815 0.697 . . . . 60.520000000000003 111.197 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.81 1.318 . . . . 62.240000000000002 110.556 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.96 -41.88 98.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.592 1.157 . . . . 65.430000000000007 110.916 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 53' ' ' ARG . 41.1 t -73.85 -37.21 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.682 -0.69 . . . . 54.009999999999998 110.262 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -59.83 -36.91 77.79 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.353 0.661 . . . . 64.010000000000005 111.67 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.92 -39.22 93.18 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.126 0.57 . . . . 75.219999999999999 110.584 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.18 76.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.786 0.834 . . . . 75.010000000000005 110.968 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -76.04 -14.23 60.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.59 0.756 . . . . 74.319999999999993 111.578 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 67.41 21.17 9.77 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.891 1.276 . . . . 74.540000000000006 111.582 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.77 81.93 6.89 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.881 -1.155 . . . . 74.540000000000006 107.881 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.0 t -67.24 -29.91 69.67 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.349 -1.296 . . . . 73.329999999999998 111.229 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.85 -49.48 65.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.876 0.47 . . . . 74.219999999999999 110.438 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.61 -36.63 93.38 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.905 -0.589 . . . . 55.210000000000001 112.899 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -42.43 91.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.187 0.595 . . . . 42.109999999999999 112.384 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -65.55 -34.96 79.48 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.706 0.403 . . . . 75.450000000000003 110.762 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -70.37 -34.57 72.75 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.828 0.851 . . . . 70.129999999999995 110.411 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.02 73.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.393 0.677 . . . . 53.340000000000003 110.605 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -73.94 -26.27 60.41 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.189 0.931 . . . . 62.520000000000003 111.527 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -43.48 65.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.988 -0.745 . . . . 70.430000000000007 108.988 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 m -67.14 -30.23 70.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.586 0.754 . . . . 61.420000000000002 111.637 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 71' ' ' ALA . 16.3 mt -60.67 -45.37 94.42 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.436 0.695 . . . . 75.340000000000003 110.698 169.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m -56.88 -36.4 70.06 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.682 0.614 . . . . 75.150000000000006 111.616 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -70.47 -41.62 72.53 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.134 0.896 . . . . 73.200000000000003 110.78 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.15 82.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.441 0.696 . . . . 63.520000000000003 112.078 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -64.5 -23.5 67.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.19 0.596 . . . . 74.140000000000001 111.632 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.62 -44.0 96.82 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.023 0.529 . . . . 64.299999999999997 111.314 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.593 ' HB2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -79.81 -35.23 38.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.618 0.367 . . . . 62.420000000000002 111.118 -178.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 123.719 0.808 . . . . 74.010000000000005 111.504 -175.845 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.446 ' O ' HG13 ' A' ' 8' ' ' ILE . 51.3 Cg_exo . . . . . 0 N--CA 1.486 1.035 0 N-CA-C 114.481 0.916 . . . . 62.43 114.481 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -69.92 -37.56 75.98 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.505 0.722 . . . . 72.140000000000001 111.265 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -74.13 -27.11 60.7 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.972 -0.558 . . . . 73.340000000000003 109.978 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -72.37 -39.86 67.74 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.397 -0.82 . . . . 72.430000000000007 109.626 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.502 HG12 HG23 ' A' ' 34' ' ' ILE . 75.5 mt -57.76 -47.52 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.142 0.977 . . . . 62.140000000000001 109.898 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -59.62 -37.42 78.57 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 124.334 1.021 . . . . 55.450000000000003 111.324 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.24 -42.76 88.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.014 0.926 . . . . 71.230000000000004 110.968 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.41 -26.16 61.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.875 0.47 . . . . 74.120000000000005 110.724 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.19 -28.78 65.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.166 0.986 . . . . 63.520000000000003 111.576 176.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 87.6 mttt -68.45 -48.38 64.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.509 -0.552 . . . . 64.219999999999999 109.509 173.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.28 -27.94 68.32 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.832 -1.076 . . . . 71.049999999999997 111.417 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -70.32 -55.66 8.63 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.942 0.897 . . . . 75.540000000000006 110.784 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -77.13 -25.74 52.43 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.412 -0.813 . . . . 74.209999999999994 112.095 -173.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -70.81 -41.3 71.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.466 -0.568 . . . . 64.239999999999995 109.466 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.49 68.95 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.337 0.398 . . . . 14.4 111.004 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.49 -47.7 77.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.664 0.786 . . . . 53.439999999999998 109.625 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -60.62 -39.84 89.7 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 114.205 -1.361 . . . . 74.219999999999999 110.347 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.68 -9.64 59.28 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.27 0.628 . . . . 73.019999999999996 111.928 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 64.69 26.62 13.14 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.316 1.046 . . . . 62.549999999999997 111.451 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.589 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.9 mm-40 -84.13 91.71 7.74 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.39 1.476 . . . . 75.310000000000002 108.606 172.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.11 -52.28 50.96 Favored Glycine 0 C--N 1.342 0.889 0 O-C-N 123.253 0.345 . . . . 75.120000000000005 112.855 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.732 ' HG3' HD12 ' A' ' 26' ' ' LEU . 7.1 pt-20 -53.12 -40.63 64.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.459 1.103 . . . . 62.409999999999997 112.292 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 ' HG3' ' A' ' 25' ' ' GLU . 4.7 mp -69.08 -32.39 71.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.904 0.481 . . . . 74.310000000000002 111.831 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.3 mtm -67.36 -41.35 85.24 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 123.305 0.378 . . . . 63.509999999999998 110.725 172.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.99 -37.61 94.15 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 115.595 -0.73 . . . . 54.210000000000001 112.308 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 40.3 mtm180 -59.33 -47.45 85.35 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.203 0.601 . . . . 63.130000000000003 109.826 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.19 -46.71 85.32 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.665 1.228 . . . . 32.140000000000001 111.157 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 53' ' ' ARG . 70.4 mt -62.7 -42.55 99.7 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.88 0.738 . . . . 70.420000000000002 111.269 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.23 -43.84 98.23 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.041 0.937 . . . . 64.450000000000003 110.707 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -73.89 -39.17 64.09 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.716 0.807 . . . . 75.310000000000002 111.415 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 HG12 ' A' ' 8' ' ' ILE . 96.8 mt -63.16 -35.54 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.526 0.73 . . . . 74.400000000000006 109.659 172.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.11 99.07 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.301 -0.863 . . . . 71.400000000000006 112.019 172.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.25 -33.16 75.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.27 0.628 . . . . 73.030000000000001 110.945 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -68.35 -40.86 81.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.918 0.487 . . . . 71.109999999999999 110.841 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.08 -39.64 90.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.019 0.528 . . . . 71.140000000000001 110.319 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -64.68 -40.71 95.87 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.904 1.281 . . . . 74.25 111.06 -174.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.4 -21.67 58.06 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.917 0.487 . . . . 74.099999999999994 111.999 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.3 mtm -89.21 -2.07 58.34 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.053 0.541 . . . . 72.400000000000006 112.193 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 2.92 88.95 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-O 120.225 -0.209 . . . . 52.25 112.79 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -92.63 50.91 1.65 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.059 -1.089 . . . . 75.019999999999996 108.059 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 80' ' ' LYS . 21.7 t -71.19 -21.99 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 113.716 -1.584 . . . . 60.310000000000002 110.439 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.659 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 3.1 mptp? -62.59 -36.98 84.45 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.059 -1.428 . . . . 71.340000000000003 110.01 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.47 -38.92 39.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.923 0.889 . . . . 74.010000000000005 110.154 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.22 -40.11 70.46 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 124.377 1.071 . . . . 32.32 112.63 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.83 -52.91 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.446 1.091 . . . . 62.030000000000001 110.502 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.34 -36.6 80.61 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.128 0.892 . . . . 73.200000000000003 111.347 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -68.33 -38.71 81.79 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.144 0.577 . . . . 65.140000000000001 111.809 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.91 -28.6 62.56 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.825 0.45 . . . . 74.530000000000001 110.365 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.77 -45.04 68.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.603 0.761 . . . . 53.140000000000001 110.038 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . 81.0 mtp180 -64.55 -49.14 72.4 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.291 -0.868 . . . . 72.099999999999994 109.752 175.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.66 -49.48 72.79 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.456 1.098 . . . . 72.010000000000005 111.434 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.51 -36.59 84.7 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.176 0.922 . . . . 75.040000000000006 110.904 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -66.08 -39.6 90.17 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.664 0.603 . . . . 75.0 111.029 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 53' ' ' ARG . 93.0 t -69.3 -47.73 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.75 -0.659 . . . . 65.329999999999998 109.723 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -61.47 -29.51 70.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.799 0.84 . . . . 72.519999999999996 111.895 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -43.75 78.35 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.672 0.789 . . . . 73.329999999999998 110.082 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.54 80.32 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.869 -0.605 . . . . 73.310000000000002 111.517 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.5 -13.7 59.85 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.61 0.764 . . . . 60.539999999999999 111.077 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m80 60.09 29.72 19.26 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.349 1.059 . . . . 61.409999999999997 111.15 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.3 102.36 11.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.335 1.054 . . . . 71.200000000000003 108.361 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -65.17 -42.4 93.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.585 0.754 . . . . 70.319999999999993 112.668 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -65.59 -48.17 73.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.869 0.468 . . . . 73.209999999999994 111.762 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.53 85.98 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.649 0.593 . . . . 71.540000000000006 112.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.5 98.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.445 0.698 . . . . 75.120000000000005 111.657 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -68.71 -41.42 79.13 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.614 -0.721 . . . . 73.329999999999998 110.761 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -70.7 -31.23 68.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 111.636 0.235 . . . . 72.010000000000005 111.636 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.25 92.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.716 0.406 . . . . 72.109999999999999 110.007 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.14 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.562 0.745 . . . . 75.200000000000003 112.322 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.7 -40.11 56.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.974 0.51 . . . . 63.439999999999998 109.697 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.6 m -67.75 -30.58 70.08 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.262 -0.881 . . . . 64.430000000000007 110.419 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.85 -43.08 94.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.755 0.822 . . . . 70.299999999999997 111.137 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -57.55 -41.98 82.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.47 0.708 . . . . 72.150000000000006 110.543 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.35 -37.23 66.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.425 0.69 . . . . 72.409999999999997 110.884 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.39 96.08 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.812 0.845 . . . . 63.43 111.751 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -67.46 -24.61 65.64 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.103 0.961 . . . . 75.519999999999996 111.181 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -77.99 -30.81 50.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.923 0.489 . . . . 63.310000000000002 110.867 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HB2' HG11 ' A' ' 44' ' ' VAL . 60.7 mttm -78.89 -24.36 44.25 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.237 0.615 . . . . 70.030000000000001 111.141 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 123.888 0.875 . . . . 65.219999999999999 109.68 177.735 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.494 1.508 0 N-CA-C 113.726 0.625 . . . . 73.299999999999997 113.726 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.692 ' HA ' HD12 ' A' ' 8' ' ' ILE . 31.1 t70 -60.61 -33.38 72.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.926 0.89 . . . . 73.310000000000002 111.968 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.33 -39.57 74.67 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 72.400000000000006 110.602 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -63.43 -36.47 83.85 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.96 0.504 . . . . 54.100000000000001 110.652 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -60.04 -43.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.222 1.009 . . . . 73.040000000000006 111.339 177.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.24 71.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.045 0.538 . . . . 61.200000000000003 111.069 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.17 -41.6 76.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.454 0.701 . . . . 61.130000000000003 110.795 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -73.12 -26.98 61.43 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.895 0.478 . . . . 75.439999999999998 111.518 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.46 -33.56 60.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.164 0.585 . . . . 75.530000000000001 110.178 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -71.11 -36.13 72.05 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.089 0.556 . . . . 72.510000000000005 109.589 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.43 -31.35 65.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.706 0.802 . . . . 44.409999999999997 110.614 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -39.43 77.4 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.723 1.209 . . . . 74.120000000000005 110.743 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mmtm -66.92 -46.2 75.55 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.573 -0.739 . . . . 74.129999999999995 110.122 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 58.8 tptt -59.33 -44.95 92.55 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.1 0.875 . . . . 73.209999999999994 109.84 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.5 75.65 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.685 1.194 . . . . 64.099999999999994 111.792 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.72 -40.22 84.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.317 1.047 . . . . 74.400000000000006 110.137 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 65.1 mt-10 -64.62 -34.8 79.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.646 0.778 . . . . 44.409999999999997 110.996 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 82.4 mt -80.5 -11.73 59.63 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.544 0.737 . . . . 73.319999999999993 111.251 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.24 29.27 13.86 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.761 1.224 . . . . 74.420000000000002 110.142 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -105.41 94.13 5.05 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.225 1.01 . . . . 52.329999999999998 108.702 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.1 89.05 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.835 -1.075 . . . . 71.400000000000006 113.822 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.13 -33.64 69.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.132 0.573 . . . . 73.540000000000006 110.84 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.67 -37.59 62.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.73 0.812 . . . . 72.140000000000001 111.066 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.7 mtm -66.85 -54.85 18.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.228 0.611 . . . . 72.219999999999999 110.945 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.3 -38.09 94.08 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.424 -0.807 . . . . 62.25 112.275 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -63.57 -38.8 92.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.321 0.648 . . . . 61.119999999999997 110.3 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.19 88.9 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 123.704 0.802 . . . . 55.43 110.834 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 94.9 mt -64.25 -37.22 86.7 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.991 0.807 . . . . 63.520000000000003 110.78 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.7 t80 -62.83 -40.64 98.03 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.647 0.779 . . . . 75.540000000000006 109.918 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -64.01 -43.78 94.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.208 0.603 . . . . 73.120000000000005 111.167 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -38.17 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 52.229999999999997 110.28 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 -36.91 93.67 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 115.306 -0.861 . . . . 54.25 112.263 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 93.3 mt -69.14 -32.81 72.43 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.608 0.763 . . . . 73.439999999999998 110.878 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.57 -37.21 68.27 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.054 0.454 . . . . 75.239999999999995 110.892 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.502 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 6.1 mptp? -66.47 -39.62 88.9 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.456 0.702 . . . . 65.140000000000001 109.901 173.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -61.92 -44.74 96.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.475 1.11 . . . . 62.009999999999998 110.757 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.07 -17.68 61.39 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.731 0.412 . . . . 74.400000000000006 111.966 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.8 mtm -90.07 -6.04 55.92 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.129 0.572 . . . . 75.319999999999993 111.783 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 6.08 89.56 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 116.598 -0.274 . . . . 23.109999999999999 113.121 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -85.77 60.6 6.33 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.868 0.842 . . . . 62.399999999999999 109.021 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.6 -26.72 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.459 -1.246 . . . . 74.109999999999999 110.484 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -49.73 -55.88 12.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.705 1.202 . . . . 71.430000000000007 111.11 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 36.6 mt-10 -75.62 -37.34 59.83 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.744 -1.116 . . . . 72.239999999999995 111.113 -177.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.52 69.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.801 0.84 . . . . 72.209999999999994 110.877 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.455 HD11 HG21 ' A' ' 81' ' ' VAL . 79.0 mt -55.07 -51.21 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 124.563 1.164 . . . . 45.530000000000001 111.51 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.97 -43.86 73.86 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 124.072 0.858 . . . . 72.019999999999996 110.686 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 67.4 m-85 -69.23 -39.67 78.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.315 -0.857 . . . . 72.430000000000007 112.031 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -69.74 -28.66 65.98 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.413 0.446 . . . . 70.219999999999999 111.125 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.02 -45.93 54.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.429 0.691 . . . . 72.439999999999998 110.028 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 57' ' ' VAL . 99.0 mtt180 -67.9 -36.67 80.61 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.072 -0.967 . . . . 75.239999999999995 110.532 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.92 -50.81 69.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 72.409999999999997 110.398 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -59.13 -42.55 90.9 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 124.909 1.381 . . . . 73.219999999999999 110.788 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -57.87 -39.55 78.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.435 1.094 . . . . 64.299999999999997 110.877 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 53' ' ' ARG . 40.8 t -75.94 -37.12 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.521 -0.763 . . . . 45.109999999999999 110.629 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -65.58 -28.15 68.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.725 0.41 . . . . 74.530000000000001 111.074 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -67.86 -38.19 82.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.347 0.659 . . . . 71.299999999999997 110.29 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -32.4 67.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.033 0.933 . . . . 62.32 111.424 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -78.58 -13.99 59.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.062 0.945 . . . . 75.299999999999997 111.405 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.6 m170 67.54 20.07 9.81 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.969 1.307 . . . . 70.400000000000006 111.84 -175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -83.26 82.62 8.19 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 108.584 -0.895 . . . . 74.140000000000001 108.584 168.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -65.49 -27.65 68.64 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.35 -0.386 . . . . 63.340000000000003 110.452 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.96 -49.85 68.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.014 0.926 . . . . 75.540000000000006 110.489 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.47 Favored Glycine 0 C--N 1.347 1.177 0 CA-C-N 115.414 -0.812 . . . . 54.109999999999999 112.986 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.09 71.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.022 0.929 . . . . 22.199999999999999 111.269 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -72.37 -30.63 64.87 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.792 0.837 . . . . 75.129999999999995 110.331 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -66.05 -42.64 89.24 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.716 0.806 . . . . 74.129999999999995 110.349 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.68 87.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.746 -0.661 . . . . 55.409999999999997 110.478 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -69.67 -27.91 65.43 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.784 0.834 . . . . 73.510000000000005 111.643 176.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -70.81 -44.57 66.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.403 0.681 . . . . 71.120000000000005 110.172 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -61.53 -34.75 76.07 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.261 0.624 . . . . 74.540000000000006 110.951 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 71' ' ' ALA . 49.6 mt -64.47 -44.49 90.91 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.127 0.971 . . . . 75.340000000000003 111.211 171.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.4 t -61.29 -33.94 74.39 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.894 0.878 . . . . 60.399999999999999 111.336 -177.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.07 -38.31 57.21 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.608 0.763 . . . . 74.430000000000007 110.487 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.48 65.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.123 0.969 . . . . 74.510000000000005 112.281 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -60.49 -30.85 69.96 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.403 1.081 . . . . 74.340000000000003 112.655 -175.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -60.92 -42.11 97.46 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.607 0.763 . . . . 61.409999999999997 110.234 176.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -76.24 -28.35 57.1 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.585 1.154 . . . . 72.239999999999995 111.788 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.455 HG21 HD11 ' A' ' 48' ' ' ILE . 64.5 t . . . . . 0 N--CA 1.486 1.343 0 C-N-CA 123.58 0.752 . . . . 75.519999999999996 110.706 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.458 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 54.3 Cg_exo . . . . . 0 N--CA 1.498 1.753 0 N-CA-C 114.896 1.075 . . . . 62.310000000000002 114.896 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.8 m-20 -73.59 -24.41 60.06 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.655 0.382 . . . . 73.230000000000004 111.738 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.87 -39.38 72.92 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.569 0.748 . . . . 72.120000000000005 109.63 171.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -64.72 -35.58 81.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.514 0.725 . . . . 74.209999999999994 109.78 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 5' ' ' ASP . 96.0 mt -61.61 -46.26 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.198 0.999 . . . . 73.109999999999999 110.865 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.34 66.08 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.733 0.646 . . . . 71.140000000000001 111.192 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.48 -39.12 54.07 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.03 0.932 . . . . 72.430000000000007 110.937 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -65.78 -32.34 73.81 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.359 0.664 . . . . 41.530000000000001 111.081 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 15' ' ' TYR . 65.1 mt-10 -67.54 -28.04 67.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.681 0.792 . . . . 61.329999999999998 111.075 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.2 -48.07 74.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.0 0.52 . . . . 73.420000000000002 109.92 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.61 75.55 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.296 -0.865 . . . . 64.030000000000001 110.806 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.45 ' HB3' ' HA ' ' A' ' 12' ' ' GLU . 46.9 t80 -69.83 -40.75 75.68 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.194 0.998 . . . . 74.040000000000006 112.098 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.3 mmmm -72.48 -30.35 64.46 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 117.616 0.189 . . . . 64.549999999999997 110.541 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -32.24 64.08 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 109.087 -0.709 . . . . 74.109999999999999 109.087 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.24 80.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.833 0.853 . . . . 65.129999999999995 110.796 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.1 -37.37 58.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.928 1.291 . . . . 71.420000000000002 111.639 -171.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.18 -33.64 76.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.974 0.416 . . . . 61.149999999999999 110.625 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -89.51 -11.19 43.62 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.732 0.813 . . . . 72.409999999999997 110.818 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.7 t30 66.42 22.04 10.78 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.007 1.723 . . . . 61.399999999999999 111.959 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' ' 26' ' ' LEU . 78.6 mt-30 -79.98 99.36 7.59 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 109.192 -0.67 . . . . 62.32 109.192 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.91 -27.17 73.27 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 114.773 -1.103 . . . . 65.409999999999997 114.199 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.61 -37.97 74.15 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.693 0.397 . . . . 73.510000000000005 110.206 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 23' ' ' GLN . 90.3 mt -75.42 -48.05 24.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.456 1.102 . . . . 73.219999999999999 110.859 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 46.4 mtm -64.37 -38.12 89.92 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.753 0.658 . . . . 72.400000000000006 112.043 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.14 97.95 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.915 0.76 . . . . 74.25 111.906 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.81 -41.23 99.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.488 0.715 . . . . 74.239999999999995 110.409 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.1 -52.32 63.12 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.547 0.739 . . . . 34.140000000000001 111.152 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 85.3 mt -66.07 -31.34 72.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 63.200000000000003 111.143 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.7 -46.94 83.19 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.749 0.819 . . . . 72.409999999999997 110.119 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 55.4 m-80 -70.25 -34.67 73.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.945 0.498 . . . . 70.510000000000005 111.989 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.68 -43.57 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 109.017 -0.735 . . . . 72.230000000000004 109.017 173.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.48 -45.62 95.25 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 114.843 -1.071 . . . . 43.119999999999997 112.321 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.54 -36.31 73.66 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.817 0.847 . . . . 75.439999999999998 111.782 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 20.4 mm-40 -65.21 -48.52 73.1 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.694 0.621 . . . . 54.539999999999999 110.439 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 3.3 mptp? -60.5 -40.96 93.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.733 0.413 . . . . 71.230000000000004 110.873 175.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.99 -45.87 90.34 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.443 1.097 . . . . 62.340000000000003 111.254 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 60.4 pttt -74.45 -25.67 59.56 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.681 -0.69 . . . . 71.109999999999999 111.376 -178.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.467 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 76.3 mtm -76.74 -17.68 58.93 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.018 0.527 . . . . 62.200000000000003 111.983 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.86 65.43 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.095 -0.402 . . . . 35.299999999999997 112.095 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 85.5 mttt -88.37 52.14 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.207 1.003 . . . . 51.109999999999999 108.391 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.1 -23.83 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 114.245 -1.343 . . . . 75.409999999999997 111.706 -164.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -55.5 -50.73 69.16 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.386 0.674 . . . . 73.439999999999998 110.773 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 2.5 mp0 -67.0 -37.28 83.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.848 -0.614 . . . . 75.329999999999998 110.751 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.9 76.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.057 0.943 . . . . 74.030000000000001 111.487 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 81' ' ' VAL . 85.3 mt -52.47 -50.57 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 125.086 1.491 . . . . 74.349999999999994 110.919 176.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 52' ' ' LEU . 42.5 mt-10 -60.16 -38.36 82.92 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.287 0.992 . . . . 70.219999999999999 111.15 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 50.1 m-85 -73.91 -34.03 64.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.327 0.651 . . . . 63.509999999999998 112.541 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.24 -28.71 65.47 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 110.137 -0.319 . . . . 73.349999999999994 110.137 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 49' ' ' GLU . 83.4 mt -69.57 -43.95 71.83 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.491 0.717 . . . . 71.150000000000006 109.752 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 57' ' ' VAL . 86.7 mtt180 -60.96 -51.39 69.45 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.953 0.783 . . . . 63.299999999999997 109.321 174.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.31 76.94 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.569 1.168 . . . . 65.510000000000005 111.292 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -62.48 -41.7 98.98 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.31 1.006 . . . . 73.340000000000003 111.026 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -63.19 -42.32 99.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.76 0.824 . . . . 54.530000000000001 111.373 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 53' ' ' ARG . 96.0 t -72.0 -35.3 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.019 0.528 . . . . 63.520000000000003 110.056 -175.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -69.15 -36.11 77.07 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.125 0.57 . . . . 74.120000000000005 110.401 171.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.4 -41.68 98.75 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.199 0.6 . . . . 72.439999999999998 110.278 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.8 81.75 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.949 -1.023 . . . . 60.119999999999997 111.096 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -86.2 -1.95 57.92 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.621 0.768 . . . . 72.329999999999998 112.245 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 58.79 25.94 14.12 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.348 1.059 . . . . 73.010000000000005 111.737 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -80.47 90.92 5.68 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 107.795 -1.187 . . . . 34.210000000000001 107.795 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 9.8 t -59.54 -41.17 89.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.649 -1.16 . . . . 71.040000000000006 111.274 -174.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.86 -58.48 7.69 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.697 0.799 . . . . 74.209999999999994 110.986 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.15 -30.91 76.3 Favored Glycine 0 C--N 1.343 0.918 0 O-C-N 124.193 0.933 . . . . 73.439999999999998 113.611 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.78 93.14 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.349 0.575 . . . . 61.130000000000003 110.628 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' A' ' 64' ' ' THR . 9.4 mpt_? -74.31 -32.28 62.8 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.543 -0.753 . . . . 75.450000000000003 110.619 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 -75.17 -33.56 61.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.964 0.905 . . . . 70.120000000000005 111.35 -176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.22 73.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.886 0.474 . . . . 43.210000000000001 110.034 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.79 -27.82 62.22 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.896 0.748 . . . . 45.43 111.361 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -67.96 -48.23 66.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.476 0.71 . . . . 53.039999999999999 109.577 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.3 t -67.29 -29.93 69.65 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.23 -0.895 . . . . 62.119999999999997 110.432 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.85 -43.51 98.24 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.713 0.805 . . . . 72.030000000000001 111.588 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 49.1 m -61.54 -44.3 97.29 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.486 0.315 . . . . 72.120000000000005 110.289 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.32 -31.14 72.21 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.085 0.866 . . . . 73.340000000000003 111.03 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.66 -45.75 61.04 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.891 0.876 . . . . 74.010000000000005 111.449 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.46 -23.76 65.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.176 0.591 . . . . 73.310000000000002 111.699 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 75' ' ' SER . 97.0 mt-30 -60.45 -38.94 85.79 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.407 0.623 . . . . 61.210000000000001 110.917 172.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -80.73 -32.62 35.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.015 -0.993 . . . . 71.430000000000007 110.856 -173.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 48' ' ' ILE . 88.8 t . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 123.755 0.822 . . . . 61.439999999999998 110.768 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.189 0.412 . . . . 73.329999999999998 111.983 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.89 -38.75 86.87 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.237 1.015 . . . . 74.420000000000002 111.06 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.05 -38.7 89.02 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.752 -0.832 . . . . 62.32 108.752 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -62.13 -44.24 97.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.299 1.04 . . . . 62.149999999999999 111.159 175.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 34' ' ' ILE . 71.1 mt -53.22 -49.64 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.884 0.874 . . . . 74.040000000000006 111.054 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.4 73.91 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.971 0.794 . . . . 72.010000000000005 111.569 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -69.95 -40.25 75.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.799 0.84 . . . . 73.230000000000004 110.781 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -76.12 -25.67 55.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.104 0.961 . . . . 72.329999999999998 110.607 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 tm-20 -74.4 -38.48 63.09 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.627 -0.879 . . . . 74.040000000000006 108.627 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -64.34 -45.38 88.08 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.464 -0.939 . . . . 64.409999999999997 108.464 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.89 70.06 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.566 0.746 . . . . 52.200000000000003 110.954 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -68.99 -42.93 75.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 55.350000000000001 110.441 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.8 mmmt -68.43 -35.86 78.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.658 0.598 . . . . 60.119999999999997 111.193 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -67.68 -43.68 79.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 50.530000000000001 109.943 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.83 72.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.321 -1.309 . . . . 63.32 111.32 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.72 -31.03 63.19 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.202 1.401 . . . . 74.140000000000001 110.774 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 15.8 mm-40 -68.56 -38.43 80.74 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.3 0.64 . . . . 71.340000000000003 110.465 173.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.78 -14.64 57.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.175 -0.92 . . . . 75.140000000000001 110.82 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 60.47 22.21 11.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.299 1.44 . . . . 53.299999999999997 112.078 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -84.72 110.69 18.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.302 0.641 . . . . 72.540000000000006 110.288 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.6 -26.6 69.91 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 124.164 0.915 . . . . 74.129999999999995 114.028 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' HA ' ' HE1' ' A' ' 58' ' ' PHE . 21.6 tt0 -59.1 -53.82 54.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.606 0.763 . . . . 71.030000000000001 109.786 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.62 -43.73 75.75 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.931 -1.031 . . . . 74.129999999999995 111.391 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.4 mtm -68.31 -42.3 79.61 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.892 0.477 . . . . 72.0 111.607 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.51 93.42 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-N 115.596 -0.729 . . . . 44.009999999999998 112.006 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.6 -36.21 80.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.224 0.609 . . . . 71.340000000000003 111.407 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.03 71.1 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.277 0.631 . . . . 52.140000000000001 110.921 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.76 -33.56 76.15 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.045 0.841 . . . . 73.099999999999994 110.896 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.31 -47.6 78.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.881 0.872 . . . . 72.140000000000001 110.462 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 33.2 m-80 -66.33 -40.91 90.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.336 0.654 . . . . 73.439999999999998 111.473 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 8' ' ' ILE . 91.6 mt -58.3 -41.08 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 123.779 0.674 . . . . 64.519999999999996 110.178 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.93 -39.51 98.14 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.284 -0.871 . . . . 70.510000000000005 112.722 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -39.94 96.1 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.534 0.734 . . . . 62.049999999999997 111.021 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 16.8 mm-40 -70.11 -38.0 75.49 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.605 -0.725 . . . . 54.229999999999997 110.809 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' HD13 ' A' ' 8' ' ' ILE . 71.2 mmtt -62.13 -44.42 96.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.978 0.418 . . . . 63.329999999999998 110.188 172.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -67.95 -35.67 78.8 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.128 -0.942 . . . . 64.540000000000006 111.262 -170.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.9 -25.16 59.87 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.249 0.343 . . . . 53.399999999999999 111.069 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 77.8 mtm -86.28 3.37 43.53 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.425 0.69 . . . . 73.099999999999994 112.052 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.34 2.14 90.36 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.025 0.203 . . . . 74.120000000000005 113.318 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -88.91 53.42 2.69 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.466 1.106 . . . . 71.209999999999994 108.735 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.83 -23.72 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 114.464 -1.243 . . . . 62.25 110.15 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.701 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 2.8 mptp? -63.99 -42.84 97.08 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.429 1.092 . . . . 72.349999999999994 109.737 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.52 -40.07 61.98 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.87 -1.059 . . . . 55.109999999999999 110.152 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.93 79.66 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.319 1.048 . . . . 53.329999999999998 111.959 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -53.57 -50.69 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 124.603 1.189 . . . . 61.409999999999997 110.441 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.88 -38.62 91.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.82 0.7 . . . . 75.340000000000003 110.813 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.78 -37.19 86.78 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.13 0.572 . . . . 73.230000000000004 112.334 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -76.03 -28.47 57.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.769 0.427 . . . . 73.239999999999995 110.476 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 mt -68.11 -41.7 81.35 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.466 -0.568 . . . . 75.340000000000003 109.466 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 57' ' ' VAL . 73.4 mtt180 -75.26 -39.12 60.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.159 0.984 . . . . 71.010000000000005 110.326 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.86 75.49 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.742 0.651 . . . . 63.350000000000001 109.993 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 70' ' ' ALA . 54.7 tttp -59.68 -45.77 91.06 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.433 1.083 . . . . 72.129999999999995 110.084 175.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.85 -39.27 71.22 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.562 1.163 . . . . 73.209999999999994 112.134 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 53' ' ' ARG . 49.6 t -64.02 -55.99 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 109.211 -0.663 . . . . 75.310000000000002 109.211 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HE1' ' HA ' ' A' ' 25' ' ' GLU . 61.3 m-85 -63.15 -30.45 71.6 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.398 0.679 . . . . 73.430000000000007 112.205 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.34 -36.57 58.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.072 0.949 . . . . 75.150000000000006 109.444 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.28 -30.54 57.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.451 -0.795 . . . . 72.129999999999995 111.026 175.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 16.9 mm-40 -78.23 -14.11 59.58 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.142 0.577 . . . . 61.109999999999999 110.578 172.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.8 m80 62.36 30.04 17.34 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.011 1.324 . . . . 75.010000000000005 111.991 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.58 93.99 6.82 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.065 -1.457 . . . . 62.229999999999997 107.065 164.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 5.8 t -63.99 -36.96 85.69 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.945 -1.025 . . . . 75.310000000000002 111.766 -172.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 15.3 m-20 -66.17 -41.59 90.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.139 0.576 . . . . 64.219999999999999 111.08 -176.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.39 -40.23 87.07 Favored Glycine 0 C--N 1.344 0.976 0 O-C-N 123.772 0.67 . . . . 54.039999999999999 112.471 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.84 79.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.965 -0.618 . . . . 54.049999999999997 110.432 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 64' ' ' THR . 79.7 mtp180 -70.91 -32.42 69.36 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.084 0.954 . . . . 74.519999999999996 111.707 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 68.6 mtt-85 -57.25 -54.03 51.44 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 109.213 -0.662 . . . . 75.239999999999995 109.213 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 55' ' ' LYS . . . -75.98 -33.82 59.75 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.061 -1.427 . . . . 72.099999999999994 111.954 -174.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -35.99 63.5 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 122.759 0.424 . . . . 74.109999999999999 111.352 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -65.26 -45.73 83.37 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.224 -0.658 . . . . 34.109999999999999 109.224 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 t -66.01 -28.39 68.84 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.648 -1.16 . . . . 72.299999999999997 110.871 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.55 -47.19 56.65 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 71.329999999999998 110.806 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -57.4 -45.49 84.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.632 0.773 . . . . 72.310000000000002 110.878 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.46 -28.28 60.96 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.444 -0.798 . . . . 73.450000000000003 111.349 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.47 74.2 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.454 0.701 . . . . 74.329999999999998 110.926 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -62.92 -39.1 93.53 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.07 0.548 . . . . 63.240000000000002 110.059 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.88 -29.61 67.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.526 0.73 . . . . 75.129999999999995 111.9 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.77 -29.04 50.72 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.509 0.723 . . . . 72.329999999999998 111.346 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.49 1.537 0 C-N-CA 124.216 1.006 . . . . 73.329999999999998 111.649 -176.651 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.492 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo . . . . . 0 N--CA 1.491 1.334 0 N-CA-C 112.764 0.255 . . . . 71.319999999999993 112.764 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 8' ' ' ILE . 37.5 t70 -67.26 -38.1 84.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.737 0.815 . . . . 74.319999999999993 111.757 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -69.58 -36.14 76.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.761 0.424 . . . . 62.130000000000003 110.706 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -66.56 -36.04 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.037 0.935 . . . . 61.420000000000002 110.638 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.5 mt -53.04 -47.06 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.626 0.771 . . . . 73.209999999999994 110.365 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.8 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.357 1.036 . . . . 60.5 112.255 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -69.46 -45.24 69.53 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.666 0.386 . . . . 74.549999999999997 110.382 175.229 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -70.41 -25.59 63.3 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.561 0.744 . . . . 61.450000000000003 110.898 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.68 -42.33 74.28 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.244 1.018 . . . . 72.430000000000007 108.999 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.87 -37.6 84.73 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.072 -0.513 . . . . 74.329999999999998 110.354 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.96 67.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.855 -0.611 . . . . 71.329999999999998 111.363 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -67.78 -47.17 69.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.943 0.897 . . . . 75.510000000000005 109.884 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 29.0 mmmt -64.39 -43.02 95.78 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.35 1.032 . . . . 75.099999999999994 111.265 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HE3' HD11 ' A' ' 21' ' ' LEU . 54.6 tptt -57.74 -45.72 85.44 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.158 0.911 . . . . 71.420000000000002 110.434 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.64 96.49 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.355 -0.839 . . . . 62.0 111.517 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 2.4 tm-20 -64.91 -40.98 95.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.998 0.919 . . . . 74.030000000000001 110.296 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 25.6 mm-40 -68.31 -29.41 68.17 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.635 -0.711 . . . . 74.200000000000003 111.155 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD11 ' HE3' ' A' ' 17' ' ' LYS . 94.0 mt -87.2 -9.1 56.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.501 0.72 . . . . 70.319999999999993 112.149 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.37 27.53 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.988 1.315 . . . . 75.120000000000005 111.942 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -85.77 98.0 10.49 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.503 0.721 . . . . 72.349999999999994 109.981 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.48 -46.96 86.88 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 124.122 0.889 . . . . 54.310000000000002 112.338 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.45 ' HG3' HD12 ' A' ' 26' ' ' LEU . 6.7 pt-20 -52.62 -51.66 58.99 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.608 0.763 . . . . 73.409999999999997 111.764 -174.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.45 HD12 ' HG3' ' A' ' 25' ' ' GLU . 1.4 mp -71.37 -27.65 63.49 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.793 0.437 . . . . 60.399999999999999 111.886 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.41 ' SD ' ' HG2' ' A' ' 19' ' ' GLU . 39.0 mtm -69.33 -44.59 71.36 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.23 0.331 . . . . 65.5 110.592 176.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.87 99.6 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.805 0.69 . . . . 52.340000000000003 111.509 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.86 -45.01 96.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 74.129999999999995 110.322 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.46 -51.88 67.97 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.886 0.875 . . . . 54.130000000000003 111.547 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.0 mt -64.41 -34.69 78.76 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.974 0.796 . . . . 35.409999999999997 111.332 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 43.3 t80 -63.0 -49.8 73.23 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 123.748 0.655 . . . . 63.409999999999997 109.913 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 68.4 m-80 -65.88 -39.23 90.48 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.798 0.686 . . . . 65.439999999999998 111.185 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 8' ' ' ILE . 75.2 mt -60.1 -46.84 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 75.420000000000002 109.865 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.35 94.07 Favored Glycine 0 C--N 1.348 1.216 0 O-C-N 124.369 1.043 . . . . 71.140000000000001 112.062 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.3 mt -60.99 -43.62 98.58 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.046 0.538 . . . . 65.099999999999994 110.315 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 14.0 mm-40 -72.43 -28.07 62.73 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.826 0.704 . . . . 73.430000000000007 112.165 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HE3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 mptp? -62.94 -48.02 80.69 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.067 -0.716 . . . . 75.299999999999997 109.067 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.15 -29.04 70.19 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.424 -1.262 . . . . 33.119999999999997 110.964 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 34.5 mmtp -66.21 -40.0 90.05 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.659 0.784 . . . . 71.209999999999994 110.733 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.8 mtm -81.23 -2.04 47.22 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.223 -0.899 . . . . 71.010000000000005 111.285 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.5 4.36 90.08 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 119.823 -0.432 . . . . 74.129999999999995 112.656 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -83.23 68.38 9.6 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 122.319 1.056 . . . . 75.209999999999994 109.165 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.58 -25.76 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 113.882 -1.508 . . . . 74.349999999999994 111.492 -169.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -40.02 80.64 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.037 0.535 . . . . 73.430000000000007 110.278 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.99 -41.9 77.21 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.67 0.606 . . . . 71.030000000000001 109.681 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.36 69.62 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.365 1.041 . . . . 72.430000000000007 111.154 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.8 mt -52.05 -52.05 26.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.946 1.298 . . . . 71.450000000000003 110.821 174.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.06 -41.88 88.98 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.921 0.763 . . . . 73.450000000000003 111.857 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 63.7 m-85 -71.55 -34.19 69.79 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.793 -0.64 . . . . 75.329999999999998 111.656 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.39 -28.43 62.01 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.392 0.433 . . . . 62.5 110.345 176.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.34 -50.09 55.74 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.17 -0.678 . . . . 74.109999999999999 109.17 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 57' ' ' VAL . 79.1 mtp180 -63.14 -48.88 76.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.684 -1.144 . . . . 75.239999999999995 110.365 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.03 75.49 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.141 0.977 . . . . 65.510000000000005 111.536 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.05 -46.47 82.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.57 1.169 . . . . 63.009999999999998 110.725 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -65.43 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.348 1.03 . . . . 73.109999999999999 111.036 -177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' ARG . 85.7 t -72.18 -36.71 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.907 0.483 . . . . 64.200000000000003 110.212 174.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.77 -30.47 69.92 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.605 0.362 . . . . 64.230000000000004 110.726 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -70.16 -34.42 72.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.207 0.603 . . . . 72.230000000000004 110.179 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.03 72.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.36 0.664 . . . . 73.340000000000003 110.681 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -78.98 -14.57 59.12 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.314 0.646 . . . . 73.409999999999997 111.163 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.7 m80 64.69 21.09 12.33 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.199 1.4 . . . . 74.400000000000006 111.839 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.91 102.64 11.81 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.629 1.172 . . . . 73.120000000000005 109.212 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -68.27 -38.99 82.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.039 0.536 . . . . 53.009999999999998 111.804 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.93 -50.18 74.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.661 0.784 . . . . 64.329999999999998 111.077 -175.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.17 83.11 Favored Glycine 0 C--N 1.346 1.115 0 O-C-N 124.117 0.886 . . . . 71.120000000000005 112.985 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.89 90.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.64 0.376 . . . . 64.109999999999999 111.035 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -69.59 -31.06 68.98 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.606 0.762 . . . . 71.120000000000005 111.0 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -74.28 -37.49 63.67 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.564 0.746 . . . . 71.510000000000005 110.508 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.68 61.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.355 0.662 . . . . 13.31 110.469 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.38 64.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.591 0.756 . . . . 61.329999999999998 111.193 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.44 -44.87 61.79 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.967 0.507 . . . . 74.310000000000002 109.959 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.1 m -63.47 -29.56 70.82 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.476 -0.784 . . . . 73.219999999999999 110.654 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.34 -45.54 79.88 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.663 0.785 . . . . 71.219999999999999 111.019 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -58.34 -49.87 75.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.976 0.51 . . . . 75.409999999999997 110.179 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -61.79 -36.29 80.67 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.789 0.836 . . . . 74.519999999999996 111.69 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.35 79.57 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.128 0.571 . . . . 72.129999999999995 111.18 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -65.4 -30.67 71.5 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.571 0.349 . . . . 72.099999999999994 111.276 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -68.61 -30.06 68.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.59 0.756 . . . . 75.299999999999997 111.36 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.19 -26.65 33.18 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.548 0.739 . . . . 61.539999999999999 111.583 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.477 0.898 0 C-N-CA 123.77 0.828 . . . . 63.240000000000002 109.548 171.375 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo . . . . . 0 N--CA 1.491 1.376 0 N-CA-C 112.665 0.217 . . . . 75.439999999999998 112.665 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.08 -45.03 96.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.369 1.068 . . . . 73.209999999999994 110.747 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.45 -32.87 68.83 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.099 -0.955 . . . . 61.299999999999997 110.521 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.83 -36.17 79.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.005 0.522 . . . . 63.329999999999998 109.913 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.29 -44.39 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.358 1.063 . . . . 62.140000000000001 110.639 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.77 68.84 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.755 0.822 . . . . 64.230000000000004 112.13 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.5 -42.97 86.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.03 0.532 . . . . 63.140000000000001 109.916 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -74.25 -25.16 59.47 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.681 0.792 . . . . 74.310000000000002 111.43 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.91 -48.2 79.98 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.639 0.775 . . . . 63.109999999999999 109.596 172.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.15 -42.33 99.44 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.886 -1.052 . . . . 63.210000000000001 110.416 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.44 65.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.685 0.794 . . . . 54.439999999999998 112.248 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.69 -45.4 65.09 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.997 0.919 . . . . 64.319999999999993 110.446 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.522 -0.763 . . . . 73.120000000000005 110.99 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.16 -41.75 98.6 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.958 -1.019 . . . . 72.340000000000003 110.355 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.21 77.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.294 -0.866 . . . . 72.019999999999996 110.471 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.12 -41.23 83.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.525 0.73 . . . . 64.319999999999993 111.641 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.29 -41.89 76.64 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.146 0.979 . . . . 53.119999999999997 110.447 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 68.7 mt -89.71 -2.81 58.37 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.014 -0.994 . . . . 52.130000000000003 111.665 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 68.57 27.62 6.08 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.999 1.32 . . . . 63.030000000000001 111.23 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.551 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.1 mm-40 -74.22 91.05 2.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.649 1.18 . . . . 65.099999999999994 109.984 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -58.74 10.36 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.338 0.399 . . . . 65.329999999999998 112.515 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.07 -39.84 63.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.896 0.879 . . . . 74.540000000000006 112.035 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 23' ' ' GLN . 5.6 mp -74.61 -28.28 60.82 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.077 0.551 . . . . 73.549999999999997 112.179 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.71 -43.03 73.23 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.994 -0.373 . . . . 73.299999999999997 109.994 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.18 96.71 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 115.324 -0.853 . . . . 74.310000000000002 112.012 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -66.01 -41.44 91.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.497 0.719 . . . . 63.310000000000002 110.619 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.87 79.15 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.514 0.725 . . . . 44.299999999999997 110.735 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.69 -42.7 90.93 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.977 0.911 . . . . 74.129999999999995 111.064 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.68 -41.87 91.66 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.411 1.084 . . . . 72.319999999999993 110.95 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -68.53 -45.46 72.16 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.465 0.706 . . . . 73.030000000000001 110.39 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.45 -37.31 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.572 . . . . 72.030000000000001 110.186 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.08 -45.28 96.25 Favored Glycine 0 C--N 1.345 1.052 0 O-C-N 123.987 0.804 . . . . 64.310000000000002 111.971 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.72 -31.42 72.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.341 0.657 . . . . 75.349999999999994 111.071 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.559 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 28.7 mm-40 -72.82 -33.17 66.01 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.673 0.389 . . . . 73.010000000000005 110.868 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HE3' ' HE2' ' A' ' 50' ' ' TYR . 73.6 mmtt -71.31 -40.9 70.52 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.97 0.508 . . . . 74.319999999999993 109.998 173.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.34 -38.48 91.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.594 1.158 . . . . 72.319999999999993 110.719 -176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HD2' ' HA ' ' A' ' 37' ' ' GLU . 12.1 ptmt -75.36 -23.13 57.14 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.556 0.742 . . . . 74.310000000000002 110.944 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 77.1 mtm -92.28 0.24 57.44 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.354 0.661 . . . . 74.329999999999998 112.328 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.84 10.8 84.96 Favored Glycine 0 C--N 1.348 1.217 0 N-CA-C 113.492 0.157 . . . . 45.140000000000001 113.492 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -92.72 55.37 2.42 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 73.430000000000007 108.224 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 80' ' ' LYS . 43.4 t -71.83 -25.8 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 114.297 -1.32 . . . . 72.430000000000007 112.302 -163.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -67.39 -39.29 85.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.798 0.439 . . . . 64.120000000000005 110.096 177.749 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.22 -42.54 88.57 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 123.809 0.693 . . . . 61.509999999999998 109.71 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.6 71.15 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.312 1.045 . . . . 63.340000000000003 111.11 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.16 -51.46 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.726 1.267 . . . . 73.310000000000002 110.886 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 36.7 mt-10 -62.16 -40.01 94.54 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.055 0.847 . . . . 64.150000000000006 111.039 -174.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.423 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 63.7 m-85 -69.2 -38.46 78.62 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.198 0.599 . . . . 73.319999999999993 111.604 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -71.04 -29.87 65.9 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.388 0.43 . . . . 54.25 110.523 177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.32 -44.88 67.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.326 0.65 . . . . 75.549999999999997 109.381 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.5 mtp180 -64.91 -48.7 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.862 -1.063 . . . . 64.219999999999999 110.081 176.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.15 -46.95 79.08 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.187 0.995 . . . . 70.409999999999997 111.201 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.92 -38.9 92.8 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.055 1.342 . . . . 73.310000000000002 110.837 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -68.73 -31.98 71.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.91 0.884 . . . . 72.120000000000005 110.759 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 53' ' ' ARG . 89.3 t -74.42 -41.41 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.828 0.451 . . . . 75.319999999999993 110.007 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -66.64 -30.08 70.26 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.034 0.534 . . . . 73.120000000000005 110.687 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -70.4 -38.02 74.57 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.72 1.208 . . . . 73.140000000000001 110.065 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.59 80.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.644 -0.707 . . . . 70.340000000000003 110.455 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 18.8 mm-40 -71.48 -12.35 61.35 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.785 0.834 . . . . 75.409999999999997 110.716 173.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 m80 63.01 25.36 15.0 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.848 1.259 . . . . 73.120000000000005 111.622 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -96.12 94.21 7.4 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.115 -1.439 . . . . 73.349999999999994 107.115 171.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.8 t -60.32 -35.7 76.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.032 -0.531 . . . . 72.209999999999994 111.407 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.6 -34.38 72.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.467 0.707 . . . . 75.019999999999996 111.443 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.6 -40.32 86.03 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.672 -0.571 . . . . 70.209999999999994 111.672 175.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.44 88.75 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.328 0.651 . . . . 72.400000000000006 110.838 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.06 -28.53 64.44 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.996 0.918 . . . . 72.040000000000006 111.17 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -40.25 71.61 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.296 -0.631 . . . . 50.340000000000003 109.296 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.4 -29.99 69.64 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.864 -0.607 . . . . 54.25 110.481 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 -27.85 62.57 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.904 0.882 . . . . 71.230000000000004 111.6 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -49.63 63.78 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.254 -0.647 . . . . 73.400000000000006 109.254 174.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.0 m -63.4 -30.92 71.96 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.429 -0.805 . . . . 43.119999999999997 111.27 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 13.2 mt -67.22 -48.18 68.59 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.657 0.783 . . . . 74.140000000000001 111.748 175.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.1 p -63.69 -35.24 79.9 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.481 0.313 . . . . 71.040000000000006 110.732 -176.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.71 -43.75 98.0 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.764 0.826 . . . . 64.140000000000001 110.192 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.955 -1.021 . . . . 75.420000000000002 111.505 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -69.54 -21.71 63.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.726 0.81 . . . . 74.140000000000001 111.694 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -78.04 -30.79 50.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.822 0.449 . . . . 61.200000000000003 111.407 173.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.68 ' HB2' HG11 ' A' ' 44' ' ' VAL . 97.6 mttt -81.6 -25.46 35.71 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.678 0.391 . . . . 73.239999999999995 111.087 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 N--CA 1.477 0.903 0 C-N-CA 123.345 0.658 . . . . 71.319999999999993 109.494 173.791 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.493 ' O ' HG13 ' A' ' 8' ' ' ILE . 74.5 Cg_exo . . . . . 0 N--CA 1.495 1.6 0 N-CA-C 112.34 0.092 . . . . 73.310000000000002 112.34 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.29 -44.76 80.17 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.476 1.111 . . . . 62.130000000000003 111.122 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -64.53 -37.95 89.33 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.509 1.124 . . . . 72.049999999999997 109.694 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 41.7 m-80 -68.64 -31.26 70.28 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.149 0.58 . . . . 74.310000000000002 111.245 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.672 HG23 HG23 ' A' ' 34' ' ' ILE . 80.0 mt -62.03 -43.42 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.233 0.613 . . . . 71.310000000000002 110.18 177.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.25 64.05 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.945 0.898 . . . . 55.130000000000003 111.702 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 62.4 tttp -67.82 -49.53 61.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.78 0.832 . . . . 53.549999999999997 110.659 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -62.34 -33.98 75.76 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.221 0.608 . . . . 50.530000000000001 111.128 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.8 -35.27 74.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.078 0.951 . . . . 74.519999999999996 111.354 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -77.12 -39.2 50.21 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.691 -0.686 . . . . 72.349999999999994 110.369 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.78 77.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.522 0.729 . . . . 74.510000000000005 110.264 172.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.436 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 48.1 t80 -62.02 -35.16 77.75 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.378 -1.283 . . . . 75.219999999999999 111.432 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -64.52 -34.34 78.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.689 0.396 . . . . 64.540000000000006 110.795 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -72.95 -45.15 59.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.092 0.87 . . . . 62.229999999999997 110.41 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.25 -41.61 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.135 0.974 . . . . 62.439999999999998 111.103 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -73.29 -41.31 63.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.264 1.426 . . . . 74.140000000000001 110.19 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.45 -40.04 81.54 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.114 1.365 . . . . 75.549999999999997 111.513 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.0 mt -87.69 -5.56 58.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.171 -0.922 . . . . 61.009999999999998 111.306 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 62.43 37.85 13.24 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.816 1.247 . . . . 61.439999999999998 111.593 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -97.49 86.5 3.87 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.003 -1.11 . . . . 61.310000000000002 108.003 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.63 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 123.822 0.701 . . . . 73.239999999999995 114.496 -172.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.82 -51.77 51.75 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.886 -0.783 . . . . 73.409999999999997 108.886 171.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.29 -34.46 77.73 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.203 1.001 . . . . 75.430000000000007 111.127 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.9 mtp -69.38 -50.09 49.29 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.901 0.881 . . . . 72.349999999999994 110.606 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.0 99.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 123.794 0.684 . . . . 61.229999999999997 112.215 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -63.3 -40.38 97.2 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.305 1.042 . . . . 62.32 110.637 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 15' ' ' TYR . . . -63.18 -50.99 68.15 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.696 0.799 . . . . 71.010000000000005 110.145 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 34' ' ' ILE . 93.6 mt -63.54 -33.34 75.38 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.885 0.874 . . . . 62.32 111.162 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.48 -42.49 87.41 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.779 0.674 . . . . 74.510000000000005 109.895 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -65.94 -44.39 85.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.559 0.743 . . . . 72.0 110.362 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.672 HG23 HG23 ' A' ' 8' ' ' ILE . 88.2 mt -56.23 -44.24 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 124.21 0.944 . . . . 75.230000000000004 110.101 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.67 -42.13 99.73 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 124.135 0.897 . . . . 41.420000000000002 112.468 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.51 -35.42 80.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.161 0.585 . . . . 61.520000000000003 111.003 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.97 -40.63 75.28 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.589 0.756 . . . . 71.25 110.665 178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.23 -42.93 96.26 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.275 0.63 . . . . 74.540000000000006 109.98 173.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -60.61 -46.29 90.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.242 1.417 . . . . 70.510000000000005 111.019 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -75.65 -24.03 56.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.102 0.561 . . . . 65.329999999999998 112.081 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.9 mtp -75.81 -16.77 60.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.104 0.562 . . . . 70.519999999999996 111.082 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.4 -1.21 64.15 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 119.784 -0.453 . . . . 51.229999999999997 112.546 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -87.21 67.3 9.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.231 1.012 . . . . 62.039999999999999 109.826 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.602 HG11 ' HB2' ' A' ' 80' ' ' LYS . 44.8 t -72.46 -26.84 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 114.375 -1.284 . . . . 73.510000000000005 111.6 -171.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -40.66 79.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.005 0.522 . . . . 75.430000000000007 109.696 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.03 -36.68 75.23 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.798 0.686 . . . . 74.349999999999994 110.394 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -47.41 74.07 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.706 0.802 . . . . 52.420000000000002 109.985 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -47.41 77.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 124.515 1.134 . . . . 63.310000000000002 111.418 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.29 -48.62 73.8 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.976 0.798 . . . . 74.329999999999998 110.637 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -71.04 -32.18 68.83 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.499 -0.773 . . . . 54.399999999999999 112.595 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -75.52 -30.13 59.68 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.921 0.328 . . . . 62.210000000000001 110.406 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.2 -45.44 69.91 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.775 -0.824 . . . . 70.219999999999999 108.775 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 57' ' ' VAL . 70.6 mtp180 -61.5 -50.79 71.28 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 114.177 -1.374 . . . . 73.450000000000003 110.6 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.2 73.82 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.485 1.114 . . . . 41.25 110.674 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.48 -43.78 98.26 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.131 0.972 . . . . 74.209999999999994 111.264 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -39.32 94.04 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.055 0.847 . . . . 64.329999999999998 110.443 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 53' ' ' ARG . 61.9 t -68.6 -42.44 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 122.945 0.498 . . . . 62.420000000000002 109.89 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -64.56 -34.17 77.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.781 0.832 . . . . 70.040000000000006 111.222 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.22 -36.1 78.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.761 0.824 . . . . 74.519999999999996 110.044 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.4 80.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.202 -0.908 . . . . 64.299999999999997 110.7 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 13.2 mm-40 -75.82 -11.26 59.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.879 0.872 . . . . 73.299999999999997 111.494 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 64.69 21.63 12.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.502 1.121 . . . . 63.340000000000003 110.95 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -83.6 99.82 10.42 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.214 -1.032 . . . . 73.140000000000001 108.214 173.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 t -65.72 -41.13 92.63 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.945 -1.025 . . . . 63.439999999999998 111.418 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.56 -44.34 87.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.689 0.796 . . . . 73.25 111.597 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.12 -37.12 86.79 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.654 0.596 . . . . 35.109999999999999 112.516 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -37.76 88.6 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.069 0.548 . . . . 54.109999999999999 110.205 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.37 -32.51 70.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.783 0.833 . . . . 72.219999999999999 111.206 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -50.18 70.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.283 1.033 . . . . 73.299999999999997 109.436 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.83 86.91 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.609 -1.178 . . . . 75.219999999999999 110.778 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.45 70.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.731 0.813 . . . . 63.030000000000001 112.096 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.64 -48.87 44.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.866 0.866 . . . . 62.109999999999999 109.877 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -65.91 -29.88 70.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.808 -1.087 . . . . 72.049999999999997 110.23 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.38 -46.75 82.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.044 0.938 . . . . 62.32 110.855 170.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.4 t -58.59 -33.13 69.64 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.42 0.688 . . . . 72.129999999999995 110.821 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -76.91 -37.83 54.66 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.819 0.847 . . . . 73.120000000000005 110.671 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.27 82.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.734 0.814 . . . . 73.549999999999997 111.723 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -68.14 -26.1 65.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.139 0.576 . . . . 64.219999999999999 111.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -61.77 -44.49 96.79 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.166 0.587 . . . . 73.430000000000007 110.471 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.602 ' HB2' HG11 ' A' ' 44' ' ' VAL . 47.7 mttm -69.61 -38.68 77.36 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.999 -1.001 . . . . 70.519999999999996 110.713 -174.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 124.188 0.995 . . . . 52.32 110.992 178.211 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.556 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 8.0 Cg_endo . . . . . 0 N--CA 1.492 1.401 0 N-CA-C 114.899 1.077 . . . . 75.219999999999999 114.899 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 8' ' ' ILE . 26.3 t70 -57.97 -46.48 85.08 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.874 0.734 . . . . 74.420000000000002 111.064 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -68.92 -34.7 75.81 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.967 -1.015 . . . . 33.409999999999997 109.232 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.09 -31.46 70.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.027 0.931 . . . . 73.140000000000001 111.497 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 5' ' ' ASP . 91.1 mt -52.54 -51.21 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.577 0.751 . . . . 73.129999999999995 109.726 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -34.11 77.61 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.544 0.738 . . . . 51.32 112.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -64.99 -41.11 95.7 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.373 0.669 . . . . 54.439999999999998 110.288 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.12 -25.13 51.77 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.276 -0.875 . . . . 63.420000000000002 111.115 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 53.0 mt-10 -72.83 -31.99 65.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.015 0.526 . . . . 63.210000000000001 110.707 173.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.99 59.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.114 0.566 . . . . 74.120000000000005 109.716 174.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.19 66.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.453 0.701 . . . . 75.450000000000003 110.26 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -70.09 -44.16 69.61 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.822 0.849 . . . . 74.319999999999993 110.301 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -73.12 -31.6 64.41 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.742 0.652 . . . . 74.310000000000002 111.123 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -69.99 -29.46 66.54 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.986 0.422 . . . . 63.530000000000001 110.035 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.12 60.43 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.556 0.742 . . . . 72.319999999999993 110.877 172.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.55 -33.87 60.7 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.551 1.14 . . . . 54.509999999999998 111.414 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.36 -31.71 71.29 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.152 0.501 . . . . 73.140000000000001 110.266 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.98 -16.61 57.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.14 -0.937 . . . . 44.310000000000002 110.316 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 62.4 25.66 15.31 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.926 1.291 . . . . 75.430000000000007 110.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -97.25 92.23 5.9 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.366 -0.834 . . . . 61.109999999999999 109.107 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.64 -31.0 57.29 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.173 -0.921 . . . . 70.200000000000003 114.582 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 9.3 pt-20 -61.65 -30.52 70.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.896 0.478 . . . . 70.140000000000001 111.504 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -81.23 -42.59 20.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.386 1.074 . . . . 54.009999999999998 111.217 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 85.0 mtp -63.2 -43.07 99.19 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.269 1.028 . . . . 70.450000000000003 111.926 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -32.03 82.4 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.54 -0.755 . . . . 73.120000000000005 112.667 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 95.0 mtt180 -59.54 -50.19 74.85 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.216 -0.661 . . . . 73.219999999999999 109.216 175.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.08 91.86 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.587 1.18 . . . . 74.109999999999999 111.625 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 53' ' ' ARG . 91.6 mt -66.15 -39.59 89.93 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.498 0.719 . . . . 70.200000000000003 110.84 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -64.21 -38.32 90.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.529 0.731 . . . . 74.430000000000007 110.177 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -64.32 -48.65 74.8 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.461 0.705 . . . . 74.120000000000005 110.673 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 72.2 mt -59.96 -37.98 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 124.075 0.86 . . . . 65.340000000000003 110.08 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.77 96.79 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 124.007 0.817 . . . . 44.350000000000001 112.333 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.26 -34.01 77.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.271 0.628 . . . . 62.240000000000002 110.652 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.04 -45.66 76.79 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.715 0.634 . . . . 62.420000000000002 110.662 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 73.7 mmtt -60.0 -43.74 95.0 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.389 0.676 . . . . 71.049999999999997 110.196 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -64.01 -43.82 94.47 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.332 1.053 . . . . 75.510000000000005 110.797 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.556 ' HD2' ' HB3' ' A' ' 4' ' ' PRO . 16.4 ptpt -75.29 -23.18 57.34 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.681 0.392 . . . . 71.200000000000003 110.956 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.6 mtp -75.39 -15.36 60.47 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.493 0.717 . . . . 64.230000000000004 110.973 170.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.51 -13.84 59.54 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 116.075 -0.511 . . . . 74.340000000000003 112.694 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -84.71 70.89 10.85 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 122.05 0.929 . . . . 63.340000000000003 109.888 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.46 -24.09 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 114.129 -1.396 . . . . 72.129999999999995 111.215 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -56.06 -52.5 64.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.553 0.741 . . . . 51.340000000000003 111.257 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.47 -33.34 72.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.647 0.379 . . . . 73.200000000000003 110.775 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.1 74.61 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.744 0.818 . . . . 51.219999999999999 111.061 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -53.81 -52.34 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 124.7 1.25 . . . . 75.519999999999996 110.981 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 52' ' ' LEU . 49.0 mt-10 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.028 0.83 . . . . 63.009999999999998 111.309 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -74.8 -31.32 61.68 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.053 0.76 . . . . 74.409999999999997 113.053 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -75.44 -27.44 58.94 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.75 -0.463 . . . . 61.130000000000003 109.75 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 49' ' ' GLU . 90.1 mt -69.2 -44.92 71.13 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.572 0.749 . . . . 65.030000000000001 109.35 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 57' ' ' VAL . 76.3 mtp180 -67.48 -44.85 77.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.376 -0.829 . . . . 73.150000000000006 110.843 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.86 -47.79 83.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.261 0.624 . . . . 24.34 110.471 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.5 -41.17 96.89 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.382 1.051 . . . . 75.439999999999998 110.896 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.53 -46.17 87.34 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 124.092 0.87 . . . . 60.210000000000001 110.87 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 53' ' ' ARG . 73.3 t -69.47 -44.31 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 115.088 -0.96 . . . . 73.0 110.533 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -64.69 -30.86 71.88 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.311 0.644 . . . . 71.400000000000006 111.769 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.28 -37.76 81.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.201 1.0 . . . . 72.099999999999994 109.414 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.43 68.75 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.789 -1.096 . . . . 65.439999999999998 111.012 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 19.4 mm-40 -76.62 -14.65 59.97 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.312 0.645 . . . . 75.0 111.862 175.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 m170 63.03 27.67 15.94 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.03 0.932 . . . . 74.109999999999999 111.408 -172.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.04 99.33 11.82 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.361 -0.978 . . . . 73.430000000000007 108.361 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.3 t -61.88 -40.55 95.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.388 0.675 . . . . 64.420000000000002 111.672 -173.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 14.7 m-20 -68.29 -32.5 72.69 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.303 0.641 . . . . 75.219999999999999 111.642 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.61 87.79 Favored Glycine 0 CA--C 1.526 0.766 0 O-C-N 123.441 0.463 . . . . 74.219999999999999 112.005 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.13 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.285 0.634 . . . . 74.030000000000001 111.232 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 65' ' ' ASP . 97.4 mtt180 -64.63 -53.71 43.36 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 61.549999999999997 110.43 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -69.96 -33.92 72.73 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.394 -0.821 . . . . 71.019999999999996 111.276 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -42.78 63.79 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 122.906 0.483 . . . . 74.349999999999994 110.484 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.54 65.47 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.766 0.666 . . . . 33.25 110.982 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.6 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 1.2 tpmt? -76.41 -40.64 50.23 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.017 0.527 . . . . 73.439999999999998 110.326 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.0 t -68.03 -32.21 72.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.674 0.79 . . . . 70.409999999999997 109.802 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -47.01 88.35 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.438 -0.801 . . . . 73.099999999999994 110.657 168.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m -61.72 -36.49 81.1 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.667 0.605 . . . . 74.319999999999993 111.555 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.6 -42.33 82.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.605 0.762 . . . . 70.329999999999998 110.746 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.12 95.35 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.328 1.051 . . . . 74.230000000000004 111.9 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -72.28 -23.63 61.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.23 0.612 . . . . 71.120000000000005 111.805 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.34 -21.06 56.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.712 0.405 . . . . 75.5 111.165 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -82.19 -44.44 16.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.641 0.776 . . . . 74.219999999999999 109.71 174.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 CA--C 1.547 0.862 0 CA-C-N 115.463 -0.79 . . . . 75.040000000000006 110.016 177.115 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 N--CA 1.497 1.683 0 N-CA-C 112.937 0.322 . . . . 74.439999999999998 112.937 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.724 ' HA ' HD12 ' A' ' 8' ' ' ILE . 28.4 t70 -62.35 -43.44 98.82 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.051 0.94 . . . . 63.240000000000002 111.397 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.47 -47.6 84.93 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 61.420000000000002 110.092 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.474 ' HA ' ' HZ3' ' A' ' 10' ' ' LYS . 84.7 m-20 -56.2 -39.76 72.94 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 124.227 0.954 . . . . 73.319999999999993 111.058 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 5' ' ' ASP . 67.5 mt -51.87 -54.47 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.747 1.219 . . . . 71.319999999999993 111.748 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -62.37 -33.4 74.66 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.237 0.961 . . . . 54.100000000000001 111.253 -176.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HZ3' ' HA ' ' A' ' 7' ' ' ASN . 7.4 ttpm? -72.94 -42.55 63.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.62 0.768 . . . . 72.219999999999999 110.802 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -72.33 -22.68 61.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.384 0.673 . . . . 74.019999999999996 111.311 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -73.85 -35.47 64.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 62.340000000000003 110.245 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 56.5 mttm -68.34 -41.17 81.13 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.374 -0.602 . . . . 71.420000000000002 109.374 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.19 68.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.914 -1.039 . . . . 71.239999999999995 111.632 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.34 -37.78 80.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.106 0.962 . . . . 64.400000000000006 110.899 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.62 -36.86 79.2 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.859 0.362 . . . . 74.439999999999998 111.218 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -69.68 -39.5 76.96 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.973 0.909 . . . . 73.430000000000007 109.076 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.11 85.24 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.68 -1.145 . . . . 71.120000000000005 110.604 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.91 -41.45 95.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.396 -1.274 . . . . 74.510000000000005 110.464 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.48 -40.28 82.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.511 1.124 . . . . 70.200000000000003 111.681 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.8 mt -94.77 11.3 31.93 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.591 -0.731 . . . . 44.43 111.676 -177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 64.06 22.56 12.96 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.805 1.242 . . . . 75.420000000000002 111.841 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -83.65 85.02 7.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.777 0.831 . . . . 75.349999999999994 109.761 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.73 78.24 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-N 115.783 -0.644 . . . . 54.310000000000002 111.99 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.3 -51.51 64.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.007 0.923 . . . . 73.439999999999998 110.369 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.4 mt -67.76 -39.37 84.15 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.266 -0.879 . . . . 75.420000000000002 111.207 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.6 mtm -65.72 -39.22 90.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.671 0.389 . . . . 64.329999999999998 111.821 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.87 -46.43 82.3 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.019 -0.832 . . . . 51.520000000000003 111.019 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.43 -35.72 78.36 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.558 0.743 . . . . 74.239999999999995 110.905 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.65 42.51 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.95 0.782 . . . . 42.109999999999999 110.739 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.5 -34.61 78.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.27 0.628 . . . . 71.209999999999994 111.159 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' OH ' ' HG2' ' A' ' 69' ' ' ARG . 64.3 t80 -66.93 -43.89 82.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 61.200000000000003 110.599 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 36.8 t-20 -67.05 -46.98 72.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.779 0.832 . . . . 61.32 109.847 -177.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.6 HG23 HG23 ' A' ' 8' ' ' ILE . 81.3 mt -56.83 -44.22 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.542 1.137 . . . . 53.030000000000001 110.543 173.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.31 -41.3 99.47 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.877 0.735 . . . . 62.200000000000003 112.834 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.69 -47.96 80.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.068 0.547 . . . . 62.310000000000002 109.967 174.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 12.2 mm-40 -62.83 -30.78 71.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.842 0.714 . . . . 75.420000000000002 112.364 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.35 -47.53 83.8 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.851 -0.426 . . . . 74.129999999999995 109.851 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -64.19 -31.9 73.27 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 124.335 1.022 . . . . 73.030000000000001 111.338 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -63.48 -39.33 94.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.548 0.739 . . . . 61.340000000000003 110.615 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.6 mtm -88.92 0.54 56.52 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.515 0.726 . . . . 74.430000000000007 112.042 -175.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.54 9.5 78.68 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-O 119.904 -0.387 . . . . 71.400000000000006 113.643 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.64 69.29 9.67 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.099 -1.074 . . . . 73.409999999999997 108.099 170.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 80' ' ' LYS . 57.5 t -74.56 -30.35 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 115.009 -0.996 . . . . 62.340000000000003 111.945 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -68.18 -40.07 82.35 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.196 -0.668 . . . . 65.049999999999997 109.196 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.93 -35.2 66.97 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.379 -0.828 . . . . 73.010000000000005 109.604 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.51 72.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.204 0.94 . . . . 41.520000000000003 110.302 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -52.22 -49.78 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 124.809 1.318 . . . . 65.319999999999993 111.404 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -45.44 82.95 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.205 1.402 . . . . 74.540000000000006 110.298 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -71.94 -33.49 68.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.629 0.772 . . . . 75.319999999999993 112.495 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -71.02 -29.75 65.77 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.433 0.293 . . . . 75.109999999999999 110.433 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.39 -43.94 63.21 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.812 0.695 . . . . 54.299999999999997 109.416 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' VAL . 58.9 mtt180 -61.05 -53.47 56.74 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.012 0.82 . . . . 72.150000000000006 109.827 176.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.3 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.653 1.181 . . . . 73.319999999999993 111.994 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -58.21 -45.72 87.12 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.674 1.234 . . . . 61.299999999999997 110.657 -178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.09 -36.31 83.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.964 0.79 . . . . 73.239999999999995 111.2 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 53' ' ' ARG . 44.4 t -68.61 -39.4 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 N-CA-C 109.74 -0.467 . . . . 55.219999999999999 109.74 176.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -63.06 -35.32 79.85 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.572 0.749 . . . . 72.549999999999997 110.761 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.33 -35.17 73.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.998 0.519 . . . . 70.230000000000004 110.924 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.55 82.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.574 0.75 . . . . 64.200000000000003 110.515 175.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -83.43 -11.98 56.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.18 0.992 . . . . 74.109999999999999 111.259 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 66.17 22.81 11.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.642 1.177 . . . . 63.439999999999998 112.279 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.45 94.69 5.61 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.246 -1.02 . . . . 71.010000000000005 108.246 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -64.4 -33.85 76.81 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.016 -0.993 . . . . 62.299999999999997 111.801 -175.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.49 -59.11 5.65 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.315 1.046 . . . . 44.240000000000002 111.7 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.05 68.31 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-N 115.794 -0.639 . . . . 61.32 113.078 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.12 85.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.89 0.376 . . . . 23.329999999999998 111.095 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -72.06 -32.36 67.01 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.323 0.649 . . . . 71.040000000000006 110.701 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HG2' ' OH ' ' A' ' 32' ' ' TYR . 71.3 ttt180 -74.55 -32.7 62.52 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.688 0.795 . . . . 73.340000000000003 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.04 70.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.749 -0.66 . . . . 71.140000000000001 109.456 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.11 70.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.797 0.839 . . . . 73.25 111.445 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -68.57 -49.33 60.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.563 0.745 . . . . 74.25 109.794 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.6 m -63.95 -30.36 71.45 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.772 -0.649 . . . . 54.399999999999999 111.714 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.82 -43.56 71.78 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.642 0.777 . . . . 72.209999999999994 110.676 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.9 t -58.37 -37.24 74.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.463 0.705 . . . . 72.239999999999995 110.288 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.86 -47.04 55.72 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.369 1.068 . . . . 63.140000000000001 110.926 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.71 88.43 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.036 0.935 . . . . 62.030000000000001 111.718 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -66.97 -36.38 82.06 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.779 0.431 . . . . 74.109999999999999 110.851 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.63 -33.13 71.12 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.422 0.689 . . . . 75.230000000000004 111.257 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HB2' HG11 ' A' ' 44' ' ' VAL . 92.3 mttt -75.78 -34.21 60.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.301 0.641 . . . . 74.109999999999999 110.758 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 123.803 0.841 . . . . 72.540000000000006 111.409 179.122 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 112.441 -0.264 . . . . 71.120000000000005 112.441 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.3 44.49 0.02 OUTLIER Glycine 0 C--N 1.34 0.8 0 N-CA-C 111.147 -0.781 . . . . 74.439999999999998 111.147 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -63.24 146.16 96.3 Favored Pre-proline 0 N--CA 1.477 0.92 0 CA-C-O 118.553 -0.737 . . . . 75.25 110.235 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.1 Cg_exo -58.85 -38.74 86.91 Favored 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 122.49 2.126 . . . . 74.319999999999993 113.707 -171.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.562 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.8 t70 -73.07 -29.31 62.87 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.221 0.534 . . . . 75.010000000000005 111.018 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.34 -31.6 62.5 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.916 0.886 . . . . 54.399999999999999 110.218 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -67.32 -35.93 80.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.715 0.806 . . . . 62.229999999999997 109.589 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.1 mt -56.91 -40.21 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.228 1.011 . . . . 71.510000000000005 111.289 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -36.22 69.96 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.76 0.663 . . . . 73.310000000000002 111.14 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -75.51 -40.57 56.91 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.899 0.48 . . . . 70.310000000000002 110.936 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -67.8 -25.73 65.73 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.457 0.703 . . . . 74.140000000000001 112.331 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.22 -37.03 66.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.781 0.832 . . . . 71.099999999999994 110.175 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -45.04 85.98 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.134 0.574 . . . . 73.109999999999999 109.49 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.5 69.93 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.99 -1.005 . . . . 72.030000000000001 111.13 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -67.87 -43.28 79.77 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.202 0.601 . . . . 73.340000000000003 110.259 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.97 -30.28 71.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.323 0.649 . . . . 74.420000000000002 111.415 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -73.1 -40.22 65.16 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.188 0.595 . . . . 72.439999999999998 110.145 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.624 0.77 . . . . 64.519999999999996 110.822 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -75.98 -39.4 55.97 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.374 1.47 . . . . 70.5 111.513 -170.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.57 -32.77 73.75 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.054 0.454 . . . . 74.25 110.13 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.42 -11.33 58.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.585 0.754 . . . . 74.340000000000003 111.343 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 64.94 22.44 12.47 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.04 1.336 . . . . 73.400000000000006 112.543 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -93.08 90.52 6.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.431 -0.951 . . . . 74.019999999999996 108.431 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' HB2' ' A' ' 27' ' ' MET . . . -63.91 -18.94 62.76 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 115.408 0.923 . . . . 74.219999999999999 115.408 -171.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.27 -46.06 90.48 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 109.393 -0.595 . . . . 74.239999999999995 109.393 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.56 -41.05 69.55 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.511 1.124 . . . . 54.350000000000001 110.762 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.432 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 81.2 mtp -62.8 -40.29 96.91 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.107 0.963 . . . . 71.209999999999994 110.872 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.34 -50.79 48.09 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 114.743 -1.117 . . . . 63.340000000000003 111.597 175.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -60.65 -31.8 71.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.253 0.621 . . . . 73.010000000000005 111.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.47 -52.04 55.82 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.467 0.707 . . . . 70.109999999999999 110.789 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 92.5 mt -69.05 -30.67 69.06 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.772 0.67 . . . . 74.409999999999997 110.887 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -64.82 -44.96 88.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.814 0.846 . . . . 62.140000000000001 110.325 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 94.8 m-20 -62.5 -44.4 96.46 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.866 0.729 . . . . 55.130000000000003 110.174 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.87 -43.79 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.053 0.845 . . . . 64.299999999999997 110.649 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.58 96.32 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.429 -0.805 . . . . 62.210000000000001 112.595 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.68 -40.42 96.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.337 0.655 . . . . 71.310000000000002 110.209 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 15.1 mm-40 -64.13 -43.12 96.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.141 0.901 . . . . 72.540000000000006 110.352 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HE2' HD13 ' A' ' 8' ' ' ILE . 74.6 mmtt -59.84 -48.58 81.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.147 0.579 . . . . 72.400000000000006 110.484 176.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.6 -41.91 95.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.39 1.076 . . . . 60.240000000000002 111.621 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -74.23 -23.1 59.12 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.564 0.346 . . . . 44.340000000000003 111.555 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 70.8 mtm -85.01 -8.56 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.219 0.607 . . . . 75.299999999999997 111.818 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.5 -0.53 65.68 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-O 120.145 -0.253 . . . . 74.400000000000006 112.908 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -81.53 69.83 8.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.773 0.829 . . . . 73.099999999999994 109.167 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 48' ' ' ILE . 98.0 t -67.86 -45.0 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 125.153 1.381 . . . . 60.119999999999997 111.626 -173.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -70.1 -33.79 72.3 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.883 0.873 . . . . 61.350000000000001 110.515 -176.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.61 -35.79 70.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.544 -0.753 . . . . 73.25 110.293 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.68 97.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.665 0.786 . . . . 65.310000000000002 110.655 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 81' ' ' VAL . 98.7 mt -53.2 -50.08 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 124.61 1.194 . . . . 61.109999999999999 111.109 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -54.13 -51.39 64.4 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 124.282 0.989 . . . . 73.150000000000006 110.83 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 55.6 m-85 -71.23 -31.4 67.52 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.124 0.787 . . . . 74.209999999999994 113.124 -175.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.66 -30.96 61.78 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 117.765 0.257 . . . . 74.319999999999993 110.563 175.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.11 -43.44 64.74 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.174 0.59 . . . . 63.100000000000001 109.672 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 57' ' ' VAL . 71.8 mtt180 -70.94 -41.06 71.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.098 -0.955 . . . . 74.409999999999997 110.088 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.53 73.73 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.844 0.715 . . . . 75.099999999999994 110.793 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -60.37 -43.2 96.8 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.716 1.26 . . . . 75.349999999999994 110.486 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -56.75 -41.96 78.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.741 1.216 . . . . 74.340000000000003 111.147 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.1 t -71.36 -38.23 68.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.859 -0.61 . . . . 63.25 110.256 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -63.0 -37.38 86.96 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.063 0.545 . . . . 64.439999999999998 111.324 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -66.34 -34.27 77.59 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.777 0.831 . . . . 60.310000000000002 110.353 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.66 86.73 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.537 0.735 . . . . 71.329999999999998 110.89 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.67 -13.66 59.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.85 0.86 . . . . 73.439999999999998 111.341 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.7 m80 67.78 21.63 9.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.255 1.422 . . . . 75.200000000000003 111.271 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -82.28 86.58 6.65 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.822 -1.177 . . . . 73.519999999999996 107.822 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 t -64.76 -24.07 67.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.412 -1.267 . . . . 74.239999999999995 111.876 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.31 -55.17 23.14 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.669 0.788 . . . . 65.219999999999999 110.603 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.34 72.0 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 124.054 0.847 . . . . 73.0 112.667 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.96 86.38 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.101 0.561 . . . . 64.409999999999997 110.606 174.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -70.3 -30.52 67.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.006 0.922 . . . . 75.019999999999996 111.129 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -69.9 -42.62 73.14 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.969 0.908 . . . . 62.310000000000002 110.359 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.28 71.6 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 115.233 -0.894 . . . . 54.520000000000003 110.064 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -71.86 -27.41 62.86 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.644 0.778 . . . . 74.400000000000006 111.783 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -73.79 -42.13 61.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.097 0.559 . . . . 45.130000000000003 109.541 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 m -69.13 -28.99 66.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.83 0.852 . . . . 72.299999999999997 111.049 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 16.5 mt -64.33 -41.18 96.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.239 0.616 . . . . 73.109999999999999 110.735 170.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.9 t -63.45 -41.6 98.64 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 123.707 0.63 . . . . 74.140000000000001 110.042 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -39.1 75.53 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.037 1.335 . . . . 71.230000000000004 110.96 174.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' VAL . . . -74.04 -44.31 54.73 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.789 0.836 . . . . 74.239999999999995 111.504 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -65.96 -30.41 70.96 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.552 0.741 . . . . 75.310000000000002 111.88 -174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -59.49 -37.93 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.714 0.634 . . . . 72.510000000000005 110.553 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -83.39 -10.26 58.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.139 0.976 . . . . 73.439999999999998 112.378 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 48' ' ' ILE . 46.4 t -86.45 -30.32 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 109.3 -0.629 . . . . 62.310000000000002 109.3 173.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -86.08 -69.24 0.68 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.159 0.984 . . . . 74.549999999999997 109.657 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.62 92.4 0.63 Allowed Glycine 0 C--N 1.35 1.336 0 N-CA-C 110.95 -0.86 . . . . 71.209999999999994 110.95 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.5 t -58.58 88.09 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.736 1.214 . . . . 73.319999999999993 112.707 -171.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.64 -65.1 4.18 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.447 -0.797 . . . . 60.32 112.867 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.4 t70 69.81 145.69 0.06 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.476 1.51 . . . . 53.100000000000001 111.555 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 88.43 0.91 Allowed 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 108.173 -1.047 . . . . 70.329999999999998 108.173 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.3 157.78 28.62 Favored Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.716 -0.675 . . . . 71.120000000000005 112.094 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -87.81 95.12 9.97 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 109.26 -0.645 . . . . 53.109999999999999 109.26 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 pt -82.48 121.07 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 N-CA-C 108.635 -0.876 . . . . 72.150000000000006 108.635 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -77.49 79.46 3.99 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.359 0.663 . . . . 43.140000000000001 110.448 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -89.47 162.89 15.49 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.606 -0.725 . . . . 75.540000000000006 109.847 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.74 179.97 8.72 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 123.945 0.898 . . . . 75.040000000000006 109.331 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.06 163.31 27.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.576 0.75 . . . . 61.43 111.496 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.51 136.58 34.15 Favored Glycine 0 C--N 1.347 1.159 0 N-CA-C 111.407 -0.677 . . . . 45.399999999999999 111.407 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.5 96.04 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.312 0.645 . . . . 73.340000000000003 110.154 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.8 t -112.7 70.7 0.72 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.056 0.942 . . . . 74.310000000000002 108.943 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.4 mt -94.98 47.52 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 122.537 1.161 . . . . 63.100000000000001 108.116 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.8 mt -100.45 91.06 4.52 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 114.997 -1.002 . . . . 61.329999999999998 109.473 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 C--O 1.25 1.105 0 N-CA-C 107.988 -1.116 . . . . 71.120000000000005 107.988 175.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.694 -0.562 . . . . 51.109999999999999 111.694 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.06 -127.19 3.66 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 112.075 -0.41 . . . . 75.019999999999996 112.075 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -70.9 162.56 71.3 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 123.631 0.772 . . . . 53.030000000000001 111.128 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 91.1 Cg_exo -48.14 -29.16 12.02 Favored 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.216 2.611 . . . . 74.129999999999995 114.052 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.5 m-20 -58.08 -43.19 86.88 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.774 1.229 . . . . 71.030000000000001 111.92 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.88 -33.07 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.867 0.467 . . . . 73.129999999999995 110.613 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -63.4 -39.13 93.67 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.604 -0.725 . . . . 74.299999999999997 109.952 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.8 mt -57.98 -41.76 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.34 1.056 . . . . 55.420000000000002 110.978 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -56.28 -40.42 74.22 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.048 0.842 . . . . 55.450000000000003 111.01 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.32 -39.72 78.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.721 0.809 . . . . 61.240000000000002 111.227 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -68.3 -27.43 66.3 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.409 -0.36 . . . . 74.540000000000006 110.523 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.95 -33.07 61.89 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 73.129999999999995 110.687 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 61.4 mttm -64.19 -46.64 83.06 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.16 0.584 . . . . 71.209999999999994 109.613 172.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.4 68.2 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 114.608 -1.178 . . . . 63.229999999999997 111.294 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.86 -49.95 40.46 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.254 1.022 . . . . 73.299999999999997 110.704 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.86 -31.32 64.65 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.962 -0.563 . . . . 53.310000000000002 111.247 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -70.72 -40.94 72.52 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 123.467 0.479 . . . . 73.140000000000001 109.989 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 26' ' ' LEU . . . -55.88 -42.05 75.37 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.276 -0.874 . . . . 51.229999999999997 111.143 173.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.94 -39.17 93.53 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.555 -1.202 . . . . 75.420000000000002 110.685 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.88 -40.24 94.7 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.805 0.842 . . . . 65.510000000000005 110.749 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.04 -7.21 59.51 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.096 -0.956 . . . . 52.549999999999997 111.345 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 62.77 21.25 12.66 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.945 1.298 . . . . 73.349999999999994 111.39 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.401 ' HB2' HD12 ' A' ' 26' ' ' LEU . 52.2 mt-30 -95.02 101.27 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.013 0.925 . . . . 43.350000000000001 109.255 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.04 -24.79 74.55 Favored Glycine 0 C--O 1.216 -0.987 0 CA-C-N 115.581 -0.736 . . . . 71.319999999999993 112.319 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.68 -44.15 73.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.98 0.912 . . . . 72.329999999999998 111.398 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 33.6 mt -73.83 -37.22 64.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.989 0.915 . . . . 62.210000000000001 110.626 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.37 -38.61 87.97 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.217 0.607 . . . . 73.120000000000005 111.156 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.57 84.57 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 111.002 -0.839 . . . . 61.25 111.002 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -62.57 -38.56 90.55 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.19 0.596 . . . . 70.439999999999998 110.564 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 34' ' ' ILE . . . -60.64 -52.45 65.08 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.91 0.756 . . . . 53.240000000000002 110.279 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 66.5 mt -66.76 -38.63 87.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.971 0.908 . . . . 71.019999999999996 111.2 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.75 -42.74 93.87 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.128 0.971 . . . . 65.140000000000001 110.365 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 4.5 m-20 -69.97 -44.9 68.52 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.09 -0.959 . . . . 63.520000000000003 110.795 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 30' ' ' ALA . 89.7 mt -59.52 -33.58 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 124.038 0.836 . . . . 53.340000000000003 110.208 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.03 -44.48 95.82 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.844 -0.616 . . . . 41.020000000000003 112.459 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.8 -34.41 78.29 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.307 0.643 . . . . 73.540000000000006 110.562 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.1 mm-40 -69.72 -38.45 76.9 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.349 0.66 . . . . 74.209999999999994 111.234 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HE2' HD13 ' A' ' 8' ' ' ILE . 5.3 mptp? -67.06 -43.38 82.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.092 0.557 . . . . 74.230000000000004 110.073 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.65 -41.99 96.08 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.067 0.854 . . . . 73.310000000000002 110.69 -173.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.65 -24.19 58.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.268 0.627 . . . . 73.510000000000005 112.069 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.86 6.96 29.25 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.146 0.578 . . . . 64.209999999999994 111.625 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.96 8.16 84.63 Favored Glycine 0 C--N 1.351 1.393 0 O-C-N 123.126 0.266 . . . . 51.530000000000001 113.395 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -93.65 55.37 2.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.5 1.12 . . . . 64.349999999999994 108.728 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 80' ' ' LYS . 87.4 t -67.77 -32.21 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 113.778 -1.555 . . . . 73.120000000000005 111.901 -170.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -62.66 -43.94 97.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.904 0.481 . . . . 74.340000000000003 111.129 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -67.87 -42.07 81.88 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.75 -0.659 . . . . 64.439999999999998 109.69 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.71 67.66 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 124.486 1.116 . . . . 72.200000000000003 111.65 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 81' ' ' VAL . 88.6 mt -51.96 -54.08 15.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 124.598 1.186 . . . . 63.549999999999997 110.684 174.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 52' ' ' LEU . 45.5 mt-10 -64.86 -31.83 73.25 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.973 0.796 . . . . 73.450000000000003 111.701 -175.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 56.8 m-85 -70.84 -34.73 71.97 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.356 0.41 . . . . 64.200000000000003 111.283 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.2 -28.1 59.86 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.892 0.477 . . . . 75.510000000000005 110.583 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 92.8 mt -69.59 -47.89 62.01 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.132 -0.692 . . . . 73.540000000000006 109.132 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 57' ' ' VAL . 78.3 mtp180 -62.54 -52.5 63.2 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 114.07 -1.423 . . . . 75.120000000000005 109.993 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.05 70.22 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.42 1.075 . . . . 41.549999999999997 111.212 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.83 -51.19 70.62 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.742 1.277 . . . . 75.530000000000001 111.057 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.49 -33.25 74.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.693 0.797 . . . . 72.420000000000002 111.478 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 53' ' ' ARG . 94.6 t -74.16 -32.97 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 123.157 0.583 . . . . 73.329999999999998 109.585 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.01 -33.4 73.59 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.827 0.451 . . . . 75.120000000000005 110.509 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -67.39 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.141 0.577 . . . . 74.019999999999996 110.346 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.68 -31.71 69.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.765 . . . . 60.5 111.026 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -87.82 -12.6 44.49 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.593 0.757 . . . . 75.040000000000006 111.784 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 65.58 24.99 11.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.591 1.156 . . . . 45.32 111.546 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.78 83.71 6.47 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.11 -1.441 . . . . 62.140000000000001 107.11 171.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.54 -39.66 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 114.94 -1.027 . . . . 64.230000000000004 112.123 -170.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.48 -42.17 79.04 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.134 0.271 . . . . 53.530000000000001 111.29 -173.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.63 -38.37 90.09 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.453 0.47 . . . . 44.539999999999999 112.351 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.29 94.71 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.315 0.646 . . . . 54.109999999999999 110.965 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -71.35 -29.08 64.55 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.952 0.901 . . . . 74.329999999999998 111.495 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -75.3 -33.43 61.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.44 0.696 . . . . 73.030000000000001 110.065 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.86 74.46 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.638 -0.71 . . . . 74.310000000000002 110.088 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.11 65.63 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 124.085 0.866 . . . . 52.109999999999999 112.055 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -70.69 -44.22 67.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.362 0.665 . . . . 75.420000000000002 110.391 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -64.92 -29.82 70.78 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.153 -0.93 . . . . 73.209999999999994 110.877 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.642 0.777 . . . . 63.240000000000002 110.761 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.6 m -56.89 -43.87 81.73 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.694 0.621 . . . . 73.519999999999996 110.96 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.78 -40.04 78.9 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.371 1.468 . . . . 73.219999999999999 111.543 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.19 -43.5 61.3 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.531 0.733 . . . . 63.299999999999997 111.58 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.18 -26.13 64.54 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.544 0.738 . . . . 63.109999999999999 112.898 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.56 -42.79 97.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.819 0.818 . . . . 62.509999999999998 110.351 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HE2' ' H ' ' A' ' 87' ' ' LYS . 84.8 mttt -79.29 -23.81 43.31 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.272 -1.331 . . . . 65.219999999999999 111.37 -175.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 48' ' ' ILE . 43.1 t -72.02 -24.83 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 123.526 0.73 . . . . 54.509999999999998 110.223 175.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -72.59 -5.77 39.48 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.77 -0.65 . . . . 64.019999999999996 111.214 171.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.71 48.5 61.41 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 111.454 -0.658 . . . . 73.319999999999993 111.454 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.4 p -166.22 132.42 2.49 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 123.412 0.685 . . . . 63.030000000000001 109.909 -169.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.18 51.63 48.32 Favored Glycine 0 C--N 1.345 1.076 0 O-C-N 123.716 0.635 . . . . 52.0 113.721 173.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.509 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 8.9 p-10 -71.58 140.99 50.03 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.005 -0.739 . . . . 61.109999999999999 109.005 173.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.511 ' H ' ' HE2' ' A' ' 80' ' ' LYS . 10.6 ptmm? -153.75 112.41 3.66 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.615 0.766 . . . . 74.209999999999994 109.564 -170.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -149.59 101.83 0.23 Allowed Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.392 -0.822 . . . . 74.230000000000004 111.157 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -62.28 120.13 10.37 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.536 0.734 . . . . 71.140000000000001 110.411 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.2 pt -80.2 4.66 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.524 0.729 . . . . 73.319999999999993 112.787 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -63.96 131.22 46.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.811 0.845 . . . . 62.109999999999999 111.636 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -99.29 136.37 39.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.578 0.751 . . . . 62.149999999999999 109.788 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -74.12 118.87 17.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.792 0.437 . . . . 71.109999999999999 110.507 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -72.53 96.42 1.95 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.761 -0.829 . . . . 73.409999999999997 108.761 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.86 93.81 0.33 Allowed Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.062 -0.517 . . . . 74.340000000000003 112.3 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.41 100.18 0.47 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.66 0.784 . . . . 70.129999999999995 110.294 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -94.87 139.04 31.86 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.589 0.755 . . . . 51.340000000000003 109.494 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 60.2 mt -94.02 108.2 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-O 120.933 0.397 . . . . 73.319999999999993 109.975 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.1 tp -125.65 102.38 7.32 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 106.892 -1.521 . . . . 73.430000000000007 106.892 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 CA--C 1.562 1.424 0 C-N-CA 124.731 1.212 . . . . 55.409999999999997 111.0 -177.231 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 CA-C-O 119.937 -0.368 . . . . 55.039999999999999 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.65 28.94 66.35 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 114.179 0.432 . . . . 35.240000000000002 114.179 173.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 77.5 p -64.69 163.19 29.65 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 124.075 0.95 . . . . 73.030000000000001 111.514 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 3' ' ' SER . 13.9 Cg_endo -54.84 -16.55 11.82 Favored 'Trans proline' 0 C--N 1.393 2.898 0 C-N-CA 123.099 2.533 . . . . 75.230000000000004 114.986 -175.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.23 -36.37 77.12 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.676 0.79 . . . . 74.120000000000005 111.377 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.27 -29.49 61.69 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.295 0.638 . . . . 72.25 110.598 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -72.0 -29.65 64.43 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.771 0.828 . . . . 74.230000000000004 110.447 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.768 HG23 HG23 ' A' ' 34' ' ' ILE . 47.1 mt -67.54 -43.12 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.541 1.137 . . . . 74.329999999999998 109.92 173.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.62 79.55 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.905 0.753 . . . . 63.329999999999998 111.233 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -62.29 -45.9 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.031 0.932 . . . . 75.329999999999998 110.588 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -67.5 -27.9 67.38 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.372 0.669 . . . . 73.140000000000001 111.776 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -71.56 -33.1 68.81 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.36 0.664 . . . . 73.239999999999995 111.099 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.17 -45.9 68.86 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.514 -0.55 . . . . 72.030000000000001 109.514 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -29.39 70.79 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.419 0.687 . . . . 62.140000000000001 111.289 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -69.28 -44.36 72.02 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 115.934 -0.575 . . . . 74.349999999999994 110.306 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 30.0 mmmt -58.46 -40.68 83.31 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 123.258 0.349 . . . . 71.5 110.873 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -60.49 -46.98 88.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.136 0.574 . . . . 73.239999999999995 110.143 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.85 77.35 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.743 -1.117 . . . . 71.019999999999996 111.886 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.53 -37.26 63.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 44.329999999999998 111.407 -174.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 12.6 mm-40 -71.3 -24.74 62.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.217 -0.447 . . . . 61.229999999999997 110.594 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt -91.24 -8.24 48.98 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.552 0.741 . . . . 62.299999999999997 110.663 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.8 32.28 21.24 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 125.442 1.497 . . . . 72.140000000000001 111.053 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -92.14 89.13 6.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.201 -0.909 . . . . 60.340000000000003 109.012 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.89 -24.29 41.24 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 116.553 1.381 . . . . 51.140000000000001 116.553 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.59 -52.96 48.23 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 117.839 0.819 . . . . 72.230000000000004 109.654 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.72 -41.21 94.86 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.907 0.883 . . . . 73.340000000000003 111.555 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.511 ' HB2' HG11 ' A' ' 57' ' ' VAL . 80.7 mtp -67.19 -50.47 60.86 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.016 0.822 . . . . 74.030000000000001 110.697 -175.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.49 95.87 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 124.228 0.955 . . . . 74.329999999999998 112.441 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -61.45 -39.84 92.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.35 0.66 . . . . 54.32 111.383 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.62 60.69 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.712 0.633 . . . . 74.120000000000005 110.52 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 53' ' ' ARG . 32.5 mt -62.06 -37.75 86.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.861 0.864 . . . . 73.319999999999993 111.45 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.95 -44.18 90.25 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.617 0.767 . . . . 73.450000000000003 110.735 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 62.2 t30 -66.98 -42.31 85.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.379 1.071 . . . . 75.040000000000006 110.265 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.768 HG23 HG23 ' A' ' 8' ' ' ILE . 94.7 mt -57.82 -46.35 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.45 1.1 . . . . 55.140000000000001 110.179 174.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -40.97 99.39 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-N 115.103 -0.953 . . . . 61.310000000000002 112.288 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.4 mt -62.12 -41.89 98.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.162 0.585 . . . . 73.219999999999999 110.508 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 41.1 mm-40 -63.63 -44.78 92.89 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.202 0.601 . . . . 72.549999999999997 111.191 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 8' ' ' ILE . 71.1 mmtt -58.26 -41.35 84.06 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.866 0.866 . . . . 74.230000000000004 110.875 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.38 -29.19 66.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.092 0.957 . . . . 72.019999999999996 111.217 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 92.0 mttt -76.07 -35.74 59.26 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.589 0.756 . . . . 63.539999999999999 111.496 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ptm -96.24 12.31 31.42 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.441 0.696 . . . . 54.25 112.367 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.88 -3.06 81.61 Favored Glycine 0 N--CA 1.474 1.225 0 N-CA-C 114.48 0.552 . . . . 63.310000000000002 114.48 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.27 55.62 3.12 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.302 1.049 . . . . 61.229999999999997 109.654 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.41 -21.09 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 113.83 -1.532 . . . . 64.209999999999994 111.658 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -43.71 98.06 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.979 0.912 . . . . 74.129999999999995 110.291 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.97 -30.06 58.47 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.891 0.476 . . . . 65.319999999999993 110.468 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.3 75.18 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.95 0.781 . . . . 64.540000000000006 110.62 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.6 mt -54.05 -54.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.549 1.156 . . . . 71.219999999999999 110.566 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.18 -43.49 74.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 124.176 0.922 . . . . 72.540000000000006 111.027 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -74.12 -30.58 62.37 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.735 0.814 . . . . 75.299999999999997 113.029 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.75 -28.14 60.64 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.205 0.457 . . . . 75.409999999999997 110.131 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 93.9 mt -70.78 -42.6 70.15 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.745 -0.835 . . . . 71.120000000000005 108.745 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.619 ' HB3' HD13 ' A' ' 31' ' ' LEU . 95.3 mtt180 -65.1 -44.59 88.31 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.738 -1.119 . . . . 74.519999999999996 110.502 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.63 71.34 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.329 0.651 . . . . 74.120000000000005 110.783 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.07 -34.72 79.09 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.47 1.106 . . . . 51.32 110.253 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -58.85 -44.29 90.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 72.319999999999993 110.837 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 27' ' ' MET . 57.3 t -71.84 -36.93 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.357 -0.838 . . . . 75.120000000000005 110.498 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.8 -32.45 73.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.177 0.591 . . . . 72.439999999999998 111.521 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -75.42 -29.78 59.86 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.03 0.532 . . . . 75.319999999999993 110.066 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.56 0.744 . . . . 75.400000000000006 110.305 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.3 -15.36 55.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.365 0.666 . . . . 74.439999999999998 111.087 171.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 61.93 20.26 11.38 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.126 1.37 . . . . 72.140000000000001 111.699 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.94 97.79 10.43 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 123.872 0.869 . . . . 74.510000000000005 108.706 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 11.5 t -67.63 -31.74 71.96 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.634 -0.712 . . . . 75.310000000000002 111.527 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.03 -53.41 58.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.391 1.076 . . . . 62.399999999999999 111.312 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.29 -37.24 86.17 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 115.611 -0.722 . . . . 75.439999999999998 111.931 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.11 72.1 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.019 0.528 . . . . 72.329999999999998 111.869 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 64' ' ' THR . 94.0 mtt180 -70.38 -31.63 68.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.368 0.667 . . . . 62.43 110.646 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -67.47 -47.06 71.21 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.118 0.567 . . . . 61.32 109.715 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.97 -34.34 77.88 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.483 -0.781 . . . . 64.310000000000002 111.238 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.38 62.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.497 0.719 . . . . 64.510000000000005 111.2 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.41 -48.25 80.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.397 0.679 . . . . 50.5 109.727 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -69.56 -29.23 66.75 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.728 -1.124 . . . . 73.439999999999998 111.603 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.96 -42.28 99.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.264 0.626 . . . . 72.310000000000002 110.913 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.0 t -63.72 -39.91 95.46 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.157 0.583 . . . . 73.140000000000001 110.242 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.19 -34.81 78.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.335 1.054 . . . . 73.209999999999994 110.896 173.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.72 -47.03 56.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.906 0.882 . . . . 34.409999999999997 112.19 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.89 -34.13 75.47 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.944 0.498 . . . . 75.129999999999995 111.39 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.64 -36.68 72.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.445 0.698 . . . . 62.240000000000002 112.209 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.91 -29.92 26.75 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.587 0.755 . . . . 74.340000000000003 111.477 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.3 t -87.46 -29.64 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 123.841 0.856 . . . . 35.030000000000001 112.594 -172.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -73.68 -157.01 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.107 0.563 . . . . 65.109999999999999 111.075 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.64 74.86 0.57 Allowed Glycine 0 C--N 1.356 1.654 0 C-N-CA 122.858 0.266 . . . . 63.520000000000003 113.272 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 p -107.88 127.26 53.58 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.733 1.213 . . . . 72.219999999999999 108.911 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.55 75.67 2.2 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 123.305 0.378 . . . . 74.5 112.565 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -83.79 100.49 10.96 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.081 -0.711 . . . . 52.310000000000002 109.081 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -69.87 96.27 0.99 Allowed 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.319 -0.623 . . . . 62.420000000000002 109.319 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.91 175.43 47.65 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 114.617 -1.174 . . . . 75.430000000000007 110.269 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -93.44 78.19 4.41 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.281 0.562 . . . . 72.219999999999999 110.34 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.13 111.15 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.779 -1.193 . . . . 71.409999999999997 107.779 171.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -74.81 100.42 4.04 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 107.962 -1.125 . . . . 70.150000000000006 107.962 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.73 24.09 1.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.605 0.762 . . . . 62.119999999999997 112.769 -167.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -74.79 80.55 2.09 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.784 -0.821 . . . . 72.430000000000007 108.784 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -75.88 139.43 41.66 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.151 -0.931 . . . . 71.340000000000003 109.135 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.76 104.23 0.83 Allowed Glycine 0 C--N 1.348 1.215 0 N-CA-C 111.023 -0.831 . . . . 45.140000000000001 111.023 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.89 82.8 0.07 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.628 1.171 . . . . 64.519999999999996 111.3 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.5 m 59.91 87.66 0.08 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.727 1.211 . . . . 63.43 111.485 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.443 HD12 ' H ' ' A' ' 98' ' ' ILE . 4.2 mp -75.1 84.82 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.647 -0.871 . . . . 74.310000000000002 108.647 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.4 mt -87.25 92.35 9.03 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.41 -0.813 . . . . 53.100000000000001 109.856 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.246 0.92 0 N-CA-C 109.074 -0.713 . . . . 73.430000000000007 109.074 179.575 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 CA-C-O 120.984 0.213 . . . . 54.119999999999997 112.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.33 -46.16 0.02 OUTLIER Glycine 0 C--N 1.335 0.522 0 N-CA-C 110.924 -0.87 . . . . 63.240000000000002 110.924 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -61.86 137.92 95.41 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.624 0.77 . . . . 54.409999999999997 110.264 177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.38 -30.16 26.03 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 123.591 2.861 . . . . 74.230000000000004 115.1 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.1 p-10 -72.43 -32.36 66.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.975 0.51 . . . . 71.209999999999994 111.683 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.87 -37.33 78.99 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.340000000000003 109.936 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -66.44 -42.2 88.03 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.007 -0.997 . . . . 72.150000000000006 110.18 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.602 HD13 ' HE2' ' A' ' 38' ' ' LYS . 72.3 mt -54.73 -49.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.632 1.173 . . . . 72.310000000000002 110.483 173.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.11 73.64 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.883 0.739 . . . . 71.439999999999998 111.572 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -69.18 -47.18 65.6 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.129 0.972 . . . . 72.230000000000004 110.783 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.85 -24.98 64.42 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.753 0.821 . . . . 72.420000000000002 111.825 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 4.5 tm-20 -74.19 -37.04 64.05 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.281 1.032 . . . . 72.230000000000004 110.378 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.6 -39.24 73.92 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.861 -0.422 . . . . 72.420000000000002 109.861 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.36 70.58 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.531 -0.759 . . . . 74.519999999999996 111.249 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 46.6 t80 -66.87 -45.68 77.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.4 1.08 . . . . 65.299999999999997 111.111 174.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 97.5 mttt -65.59 -39.67 91.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.403 0.681 . . . . 71.010000000000005 111.074 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -66.76 -41.68 87.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.113 0.565 . . . . 55.450000000000003 110.407 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.77 76.77 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.773 1.229 . . . . 71.0 111.618 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -70.92 -34.43 71.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.774 1.23 . . . . 44.43 110.003 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 54.8 mt-10 -66.94 -38.17 85.66 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.723 0.809 . . . . 75.219999999999999 110.822 174.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.6 -12.66 59.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.2 -0.909 . . . . 73.109999999999999 111.78 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 t30 61.99 31.17 18.1 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.563 1.145 . . . . 64.430000000000007 110.803 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.454 ' HB2' HD12 ' A' ' 26' ' ' LEU . 51.3 mt-30 -105.08 98.76 8.42 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.217 -1.031 . . . . 72.019999999999996 108.217 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.74 -23.79 76.63 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.127 -0.942 . . . . 72.530000000000001 113.276 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.06 -40.13 80.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.097 0.559 . . . . 74.530000000000001 110.235 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' A' ' 23' ' ' GLN . 71.0 mt -72.64 -46.65 52.97 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.999 0.92 . . . . 72.010000000000005 110.368 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.0 mtm -61.38 -39.16 89.67 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.491 0.716 . . . . 73.219999999999999 112.108 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.17 -45.82 68.84 Favored Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.049 -0.978 . . . . 54.009999999999998 111.734 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.63 -30.94 71.97 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.628 0.771 . . . . 74.040000000000006 110.811 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.5 57.48 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.381 0.672 . . . . 72.310000000000002 110.779 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.48 -30.41 68.29 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.043 0.937 . . . . 74.129999999999995 111.708 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.73 -47.66 80.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.502 -0.772 . . . . 63.310000000000002 109.97 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.28 -40.96 98.83 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.62 0.768 . . . . 73.019999999999996 111.166 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 HG23 ' A' ' 8' ' ' ILE . 81.6 mt -60.15 -43.65 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.877 0.871 . . . . 72.109999999999999 110.363 175.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.29 -36.7 93.08 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.359 -0.837 . . . . 71.549999999999997 112.817 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 95.7 mt -63.92 -39.03 93.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.344 0.658 . . . . 64.329999999999998 110.438 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.813 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 29.6 mm-40 -66.01 -47.08 75.66 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.978 -0.555 . . . . 74.239999999999995 110.717 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HE2' HD13 ' A' ' 8' ' ' ILE . 71.3 mmtt -56.82 -41.87 78.6 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.988 0.915 . . . . 64.140000000000001 112.25 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -61.27 -40.44 94.13 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.062 0.945 . . . . 73.400000000000006 110.606 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 36.9 mtmt -65.42 -38.6 90.41 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.541 0.736 . . . . 71.510000000000005 110.569 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 79.8 mtp -73.46 -9.12 58.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.895 0.878 . . . . 64.129999999999995 111.776 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.09 -0.16 83.66 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 123.442 0.464 . . . . 71.340000000000003 112.02 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -87.88 55.74 3.6 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.562 1.145 . . . . 62.020000000000003 109.514 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.96 -25.63 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 113.769 -1.56 . . . . 74.329999999999998 110.793 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -59.89 -45.04 93.77 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.184 0.594 . . . . 74.239999999999995 109.83 174.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.217 -0.901 . . . . 72.519999999999996 110.433 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.07 73.23 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.686 0.795 . . . . 52.409999999999997 111.384 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 81' ' ' VAL . 95.3 mt -52.77 -52.25 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.059 1.344 . . . . 75.129999999999995 110.474 173.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.8 -34.19 76.76 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.053 0.845 . . . . 73.420000000000002 111.977 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.74 -36.44 65.15 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.98 0.512 . . . . 65.25 111.673 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.73 -27.98 62.37 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.48 0.488 . . . . 75.519999999999996 110.609 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.58 -45.01 63.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.228 0.611 . . . . 73.109999999999999 109.461 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 57' ' ' VAL . 95.5 mtt180 -59.74 -52.19 66.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.054 0.846 . . . . 64.319999999999993 109.348 173.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.55 72.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 124.265 0.978 . . . . 73.409999999999997 111.064 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.72 -36.16 83.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.075 0.95 . . . . 72.230000000000004 111.205 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -64.86 -42.06 95.18 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.87 0.868 . . . . 75.400000000000006 110.866 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' ARG . 90.4 t -71.58 -39.24 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-N 115.164 -0.926 . . . . 53.520000000000003 110.223 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.21 -33.36 75.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.517 0.727 . . . . 74.239999999999995 111.44 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.28 -38.76 92.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.988 0.915 . . . . 75.349999999999994 109.871 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.27 72.37 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.212 -0.904 . . . . 62.420000000000002 111.179 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.43 -15.43 60.91 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.31 0.644 . . . . 71.209999999999994 111.566 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.1 m170 61.24 27.77 17.44 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.562 1.145 . . . . 54.109999999999999 110.97 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -82.63 90.52 6.83 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.951 -1.129 . . . . 61.009999999999998 107.951 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.01 -27.85 69.7 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.042 -0.981 . . . . 75.349999999999994 112.449 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 29.2 t70 -68.46 -44.59 74.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.191 0.596 . . . . 73.340000000000003 110.958 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.67 -35.21 51.82 Favored Glycine 0 C--N 1.334 0.445 0 O-C-N 124.043 0.839 . . . . 63.149999999999999 112.216 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.02 97.46 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.049 0.54 . . . . 64.109999999999999 110.701 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 37.8 ptt85 -72.71 -30.98 64.66 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.197 0.599 . . . . 73.150000000000006 111.023 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 12.8 ttt180 -68.81 -48.96 62.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.873 1.269 . . . . 74.329999999999998 110.02 -174.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.62 66.08 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 114.262 -1.336 . . . . 73.349999999999994 110.675 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.49 86.04 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.513 0.725 . . . . 73.120000000000005 111.883 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -73.18 -41.77 63.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.618 -0.719 . . . . 74.310000000000002 109.809 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -67.2 -28.65 68.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.527 0.731 . . . . 62.340000000000003 111.402 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.24 -51.12 70.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.512 0.725 . . . . 74.530000000000001 110.011 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -56.74 -45.01 82.22 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 124.134 0.896 . . . . 74.209999999999994 110.776 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -33.22 75.03 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.389 1.476 . . . . 52.109999999999999 111.496 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 -47.54 35.57 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.573 0.749 . . . . 62.439999999999998 110.462 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 40.0 m-85 -57.98 -24.83 59.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.443 0.697 . . . . 73.219999999999999 112.284 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -55.86 -43.12 76.8 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.102 0.961 . . . . 64.129999999999995 111.72 176.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -72.62 -32.58 66.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.867 0.867 . . . . 75.439999999999998 110.445 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG21 HD11 ' A' ' 48' ' ' ILE . 61.6 t -69.9 -27.98 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.962 0.905 . . . . 74.450000000000003 110.751 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 78' ' ' TYR . 11.9 mm-40 -61.86 -25.07 67.31 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.502 0.721 . . . . 72.510000000000005 111.575 173.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.77 0.62 36.62 Favored Glycine 0 C--N 1.342 0.862 0 CA-C-N 115.46 -0.791 . . . . 52.439999999999998 111.533 -171.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 t -91.06 84.21 5.7 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.709 -0.849 . . . . 70.319999999999993 108.709 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -98.66 -121.16 4.41 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 114.916 -1.038 . . . . 21.129999999999999 110.793 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 70.23 -22.27 0.17 Allowed 'General case' 0 N--CA 1.503 2.199 0 C-N-CA 125.334 1.454 . . . . 73.430000000000007 113.687 171.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -94.63 81.67 3.89 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.984 0.914 . . . . 70.510000000000005 108.92 -175.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.04 84.45 0.59 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 110.402 -1.079 . . . . 73.400000000000006 110.402 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.465 ' HE3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -93.15 90.59 6.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.24 0.616 . . . . 72.030000000000001 110.691 -174.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.465 HG12 ' HE3' ' A' ' 89' ' ' LYS . 44.5 mm 49.67 83.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.456 1.502 . . . . 75.129999999999995 112.966 169.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -65.28 -30.14 70.97 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.182 -0.917 . . . . 52.43 111.032 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.35 81.62 1.54 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.953 0.901 . . . . 74.340000000000003 110.34 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -76.52 75.86 3.24 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 122.196 0.998 . . . . 73.099999999999994 108.833 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -100.07 86.23 3.2 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.856 -1.52 . . . . 74.439999999999998 109.187 -176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.17 95.3 0.16 Allowed Glycine 0 C--N 1.337 0.633 0 CA-C-N 114.543 -1.208 . . . . 73.230000000000004 110.608 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -76.97 83.83 3.5 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.719 0.771 . . . . 74.409999999999997 110.114 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.9 p -117.03 -8.99 11.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.794 1.238 . . . . 71.030000000000001 109.01 169.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.84 125.17 38.11 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 124.28 1.032 . . . . 73.120000000000005 108.483 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -133.76 164.66 26.74 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.486 1.114 . . . . 74.519999999999996 108.401 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.168 0 N-CA-C 108.983 -0.747 . . . . 74.129999999999995 108.983 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.02 0 N-CA-C 113.381 0.112 . . . . 72.140000000000001 113.381 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.63 -141.6 3.7 Favored Glycine 0 C--O 1.241 0.576 0 N-CA-C 111.031 -0.828 . . . . 74.040000000000006 111.031 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.57 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 18.3 m -58.82 137.34 87.06 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 123.728 0.811 . . . . 74.439999999999998 110.744 178.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.66 -28.2 85.49 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.563 2.175 . . . . 74.510000000000005 112.019 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.71 -37.04 77.77 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.636 1.175 . . . . 74.329999999999998 111.888 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.57 ' HG2' ' HB2' ' A' ' 3' ' ' SER . 12.9 mm-40 -61.85 -42.68 99.34 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.107 0.563 . . . . 74.450000000000003 110.726 177.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -68.75 -40.65 79.7 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.406 0.682 . . . . 65.219999999999999 110.122 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.43 -36.31 58.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.305 1.042 . . . . 71.0 110.724 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.75 76.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.663 0.785 . . . . 71.010000000000005 111.86 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -70.6 -35.34 72.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.111 0.564 . . . . 74.319999999999993 110.322 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.67 -27.25 60.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.167 0.587 . . . . 43.340000000000003 111.31 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.94 -38.13 61.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.669 0.787 . . . . 73.209999999999994 109.76 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -36.27 74.43 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.285 -0.635 . . . . 65.019999999999996 109.285 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.91 78.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.106 0.562 . . . . 34.420000000000002 110.581 174.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.72 -47.24 78.99 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.644 0.778 . . . . 73.420000000000002 109.781 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 72.0 mmtt -70.52 -32.74 70.32 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.19 0.931 . . . . 74.310000000000002 111.768 -177.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -67.08 -46.28 74.75 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.542 0.526 . . . . 74.010000000000005 109.621 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.75 -27.21 67.42 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.185 -0.916 . . . . 65.019999999999996 111.809 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.08 -35.44 59.38 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.429 1.091 . . . . 61.229999999999997 111.106 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 32.2 mm-40 -71.81 -32.68 67.83 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.341 -0.39 . . . . 74.340000000000003 110.578 175.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.15 -16.02 51.29 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.667 0.787 . . . . 64.530000000000001 110.66 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.7 t30 58.37 27.57 15.56 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.859 1.664 . . . . 75.049999999999997 111.904 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -73.44 95.68 2.26 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.555 -0.905 . . . . 50.210000000000001 108.555 173.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -53.48 40.22 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 124.416 1.073 . . . . 43.219999999999999 113.499 -172.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG3' ' HE1' ' A' ' 58' ' ' PHE . 32.6 tt0 -52.79 -46.7 67.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.054 0.942 . . . . 70.519999999999996 111.582 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -40.11 94.68 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.017 0.823 . . . . 63.25 110.003 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 56.1 mtm -61.57 -40.95 96.6 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.734 -0.666 . . . . 75.329999999999998 111.247 175.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.91 97.15 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.531 0.519 . . . . 74.310000000000002 111.838 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 87.0 mtt-85 -64.7 -38.47 91.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.27 0.628 . . . . 74.510000000000005 110.515 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.02 83.69 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.336 1.022 . . . . 73.420000000000002 110.897 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.94 -38.9 92.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.949 0.9 . . . . 63.329999999999998 111.105 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.91 -43.57 98.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.103 0.961 . . . . 72.540000000000006 110.323 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -65.24 -42.61 93.16 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.734 0.813 . . . . 73.349999999999994 111.127 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.88 -44.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.325 0.65 . . . . 75.340000000000003 109.857 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.13 98.29 Favored Glycine 0 C--N 1.348 1.227 0 O-C-N 124.38 1.05 . . . . 51.210000000000001 113.18 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.44 -40.9 88.28 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.126 0.57 . . . . 72.420000000000002 110.666 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 19.1 mt-10 -80.82 -27.05 36.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.51 0.724 . . . . 72.120000000000005 112.63 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.59 -40.35 96.73 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.118 -0.697 . . . . 73.409999999999997 109.118 170.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.417 ' HA ' HG22 ' A' ' 44' ' ' VAL . 47.2 t-20 -62.07 -48.89 78.17 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 114.566 -1.197 . . . . 75.010000000000005 111.159 -177.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 15.1 ptmt -68.83 -20.59 64.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.486 0.55 . . . . 64.230000000000004 112.486 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 72.6 mtm -80.59 -18.09 49.35 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.466 0.306 . . . . 72.349999999999994 111.732 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.97 1.91 67.02 Favored Glycine 0 N--CA 1.47 0.915 0 N-CA-C 111.967 -0.453 . . . . 71.510000000000005 111.967 -172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.56 54.15 2.43 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.176 -1.046 . . . . 71.140000000000001 108.176 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 39' ' ' ASN . 3.9 t -76.85 -22.37 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.37 -1.286 . . . . 60.409999999999997 110.878 -170.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -57.88 -45.61 86.14 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.541 0.336 . . . . 61.43 110.18 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.72 -45.38 93.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.684 -0.689 . . . . 64.299999999999997 110.19 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.55 70.74 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 124.01 0.924 . . . . 43.009999999999998 111.796 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.8 mt -56.96 -52.35 56.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.541 0 O-C-N 124.483 1.114 . . . . 70.239999999999995 110.026 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.6 -31.91 73.34 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.919 0.762 . . . . 75.019999999999996 111.707 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.68 -35.93 67.78 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.658 0.383 . . . . 74.140000000000001 111.101 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.57 -29.25 63.37 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 123.58 0.55 . . . . 73.430000000000007 109.912 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.6 mt -73.07 -44.44 60.59 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.324 0.65 . . . . 61.43 110.365 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 57' ' ' VAL . 26.7 mtp180 -66.39 -44.58 82.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.524 0.73 . . . . 75.120000000000005 109.4 178.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.22 70.83 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 123.999 0.812 . . . . 75.430000000000007 110.925 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.62 -45.61 85.15 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 124.432 1.082 . . . . 63.520000000000003 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -59.85 -38.22 81.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.4 1.062 . . . . 74.109999999999999 110.991 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.4 t -68.98 -43.74 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.775 -0.648 . . . . 74.019999999999996 109.83 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HE1' ' HG3' ' A' ' 25' ' ' GLU . 50.9 m-85 -64.4 -26.95 68.68 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.905 0.482 . . . . 75.219999999999999 111.818 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.47 -35.22 75.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.423 0.689 . . . . 64.25 109.726 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.02 -36.42 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.961 0.904 . . . . 51.219999999999999 110.989 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 25.6 mm-40 -76.48 -15.85 59.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.971 0.908 . . . . 72.329999999999998 111.185 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.7 m80 66.01 21.45 11.28 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 124.652 1.181 . . . . 54.299999999999997 111.663 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.7 88.01 7.06 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.734 -0.839 . . . . 65.409999999999997 108.734 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -59.92 -32.22 70.56 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.926 0.89 . . . . 54.229999999999997 111.582 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.04 -51.46 69.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.071 0.948 . . . . 72.230000000000004 110.42 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.49 -37.3 78.45 Favored Glycine 0 C--N 1.354 1.583 0 O-C-N 123.865 0.728 . . . . 63.240000000000002 113.218 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.997 0.519 . . . . 71.239999999999995 110.692 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.07 -29.06 67.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.045 -0.979 . . . . 71.019999999999996 111.396 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -65.31 -44.76 86.84 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.542 0.737 . . . . 74.140000000000001 110.737 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.65 78.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.718 -0.674 . . . . 55.409999999999997 110.691 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -68.73 -26.85 65.46 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.698 0.799 . . . . 72.209999999999994 112.369 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -68.88 -43.21 75.77 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.727 0.811 . . . . 65.439999999999998 109.741 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -69.2 -30.93 69.22 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 114.876 -1.056 . . . . 62.439999999999998 110.955 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 71' ' ' ALA . 28.1 mt -62.1 -45.74 92.16 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.774 0.83 . . . . 65.129999999999995 111.049 172.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 t -57.59 -37.42 73.17 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.132 0.895 . . . . 61.109999999999999 111.258 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -78.27 -37.63 44.58 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.042 0.937 . . . . 74.329999999999998 111.565 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.18 93.83 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.51 0.724 . . . . 62.310000000000002 111.383 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -66.76 -24.91 66.27 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.442 0.697 . . . . 42.43 112.302 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -67.67 -42.36 82.28 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.471 0.308 . . . . 61.219999999999999 111.196 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' HB2' ' HA ' ' A' ' 86' ' ' ASP . 17.3 ptpt -83.09 -32.39 26.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 111.924 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.68 -63.02 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 122.974 0.51 . . . . 74.340000000000003 109.861 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.43 -21.46 35.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.502 -0.772 . . . . 73.010000000000005 111.879 -172.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -84.51 -18.7 61.57 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-O 119.878 -0.401 . . . . 73.400000000000006 112.359 171.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.0 m 61.92 46.99 6.27 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 124.269 1.028 . . . . 52.219999999999999 110.965 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -127.31 54.36 0.77 Allowed Glycine 0 C--N 1.346 1.117 0 N-CA-C 110.331 -1.108 . . . . 74.340000000000003 110.331 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.499 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 8.0 m-20 -76.4 91.12 3.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.835 0.854 . . . . 74.109999999999999 111.062 -171.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -101.42 127.5 48.05 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.182 -0.917 . . . . 72.109999999999999 108.597 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.91 35.32 2.73 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 123.391 0.432 . . . . 43.350000000000001 112.706 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -76.89 111.63 12.63 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.905 0.882 . . . . 71.230000000000004 108.868 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 pt -71.66 89.06 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 121.688 0.756 . . . . 54.299999999999997 109.478 172.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -68.47 110.19 4.05 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 107.848 -1.168 . . . . 65.239999999999995 107.848 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -59.69 131.54 51.23 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 124.719 1.262 . . . . 75.030000000000001 111.004 -175.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -87.19 122.03 30.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.263 0.625 . . . . 74.299999999999997 111.437 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -128.28 143.63 51.04 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.322 1.049 . . . . 63.149999999999999 109.173 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -126.08 -149.13 7.31 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 111.562 -0.615 . . . . 72.209999999999994 111.562 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -84.84 75.57 10.34 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 122.267 1.032 . . . . 72.239999999999995 108.908 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 p -76.69 -17.28 59.21 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 114.974 -1.012 . . . . 70.439999999999998 111.846 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 50.7 pt -66.8 138.28 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.146 0.579 . . . . 64.230000000000004 110.463 174.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt -108.26 -75.61 0.63 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.563 -0.532 . . . . 71.120000000000005 109.563 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 124.003 0.921 . . . . 73.349999999999994 108.77 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.578 ' HA2' ' HA ' ' A' ' 7' ' ' ASN . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 112.254 -0.338 . . . . 42.439999999999998 112.254 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.97 -89.45 0.15 Allowed Glycine 0 C--N 1.347 1.18 0 N-CA-C 111.795 -0.522 . . . . 45.25 111.795 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -63.2 135.83 96.41 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-O 117.55 -1.214 . . . . 73.439999999999998 109.405 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo -47.45 -41.35 29.26 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 123.41 2.74 . . . . 72.329999999999998 114.662 -170.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.449 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 21.6 t70 -60.35 -47.8 84.47 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.711 0.805 . . . . 64.450000000000003 111.376 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.6 -31.34 57.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.775 -1.102 . . . . 41.310000000000002 110.291 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.578 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 61.8 t30 -68.62 -26.88 65.58 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.592 1.157 . . . . 63.229999999999997 111.132 -173.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 4' ' ' PRO . 96.7 mt -52.61 -41.59 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.527 1.131 . . . . 64.409999999999997 111.608 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.75 65.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.683 0.793 . . . . 74.230000000000004 112.456 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -65.3 -46.46 80.25 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 63.130000000000003 110.418 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.14 -24.87 62.35 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.605 0.762 . . . . 72.040000000000006 111.989 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.09 -39.72 86.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.473 0.709 . . . . 72.209999999999994 110.101 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -76.36 -32.8 58.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.493 -0.776 . . . . 73.329999999999998 110.457 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.46 78.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.112 0.565 . . . . 71.450000000000003 109.79 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.36 -45.53 79.82 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 115.14 -0.936 . . . . 65.209999999999994 109.945 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 19' ' ' GLU . 58.6 mttm -74.05 -24.17 59.49 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.739 0.649 . . . . 73.530000000000001 112.615 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -74.44 -35.08 63.35 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.203 -1.036 . . . . 63.25 108.203 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.6 75.53 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.596 -0.729 . . . . 32.399999999999999 111.249 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 37.1 tt0 -77.01 -39.25 50.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.732 1.613 . . . . 73.239999999999995 111.652 -173.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 9.3 pt-20 -62.55 -32.85 73.87 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.051 0.453 . . . . 72.120000000000005 110.206 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 59.6 mt -90.42 -17.81 26.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.844 0.858 . . . . 74.019999999999996 110.696 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.3 m120 60.02 27.92 17.39 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.648 1.179 . . . . 70.140000000000001 112.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.502 ' HG2' ' HB2' ' A' ' 21' ' ' LEU . 18.6 mm-40 -57.05 -72.66 0.08 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.742 0.817 . . . . 74.310000000000002 111.568 -172.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.08 -92.15 0.15 Allowed Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.393 -0.821 . . . . 63.009999999999998 111.499 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 6.8 pt-20 -56.03 -31.05 62.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.061 0.944 . . . . 64.239999999999995 112.895 -166.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.96 -46.42 89.47 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.896 0.878 . . . . 61.340000000000003 110.724 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.9 mtm -59.92 -43.98 94.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.73 0.412 . . . . 75.25 110.099 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.89 93.79 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.671 0.607 . . . . 71.310000000000002 112.92 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 65.1 mtt-85 -68.79 -42.95 76.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.755 0.822 . . . . 75.219999999999999 110.003 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.49 -51.77 67.27 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.254 0.971 . . . . 64.219999999999999 110.211 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 43.8 mt -55.55 -48.42 74.77 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.574 1.171 . . . . 64.430000000000007 110.792 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HE1' ' HA ' ' A' ' 70' ' ' ALA . 72.8 t80 -59.12 -45.83 89.89 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.534 0.734 . . . . 73.120000000000005 111.016 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.1 m-20 -67.35 -40.62 85.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.565 0.746 . . . . 72.420000000000002 111.328 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.448 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 84.9 mt -61.92 -41.9 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.046 0.539 . . . . 60.200000000000003 109.77 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.44 -38.02 95.08 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-N 115.222 -0.899 . . . . 72.140000000000001 111.814 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 96.0 mt -61.74 -45.77 92.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.081 0.553 . . . . 74.519999999999996 109.688 174.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 13.3 mm-40 -59.12 -41.15 87.51 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 123.801 0.688 . . . . 74.340000000000003 110.874 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 75.8 mmtt -62.53 -48.67 78.49 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.87 -0.604 . . . . 63.340000000000003 110.128 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -61.14 -33.62 73.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.378 1.071 . . . . 64.349999999999994 111.175 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 87.8 mttt -67.39 -39.47 85.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.864 0.866 . . . . 43.409999999999997 110.659 175.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.449 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 78.0 mtm -79.53 -6.28 56.66 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.726 0.81 . . . . 73.099999999999994 112.271 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.2 12.4 82.35 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 112.774 -0.13 . . . . 72.329999999999998 112.774 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.82 55.28 2.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.771 1.229 . . . . 74.439999999999998 109.287 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 48' ' ' ILE . 32.6 t -68.81 -25.64 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 123.578 0.751 . . . . 52.25 111.778 -169.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HE3' HG13 ' A' ' 81' ' ' VAL . 48.6 mmtm -62.7 -47.23 84.51 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.235 0.614 . . . . 73.299999999999997 110.937 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.39 -39.91 89.34 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.155 -0.929 . . . . 63.140000000000001 109.575 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.26 -46.63 72.7 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.058 0.943 . . . . 64.420000000000002 111.488 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.708 HD11 HG21 ' A' ' 81' ' ' VAL . 81.5 mt -52.96 -53.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 124.481 1.113 . . . . 62.310000000000002 110.494 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -39.23 66.35 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 124.378 1.049 . . . . 54.25 112.438 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 65.3 m-85 -73.42 -39.81 64.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.08 0.552 . . . . 71.540000000000006 111.934 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.16 -27.88 64.89 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.777 0.431 . . . . 73.129999999999995 110.897 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 85.5 mt -68.36 -48.84 63.72 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.114 -0.698 . . . . 64.150000000000006 109.114 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.6 mtt85 -69.3 -34.14 74.24 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.112 -1.404 . . . . 75.219999999999999 110.857 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.35 -50.48 67.6 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.136 0.574 . . . . 73.310000000000002 110.155 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.32 -41.47 93.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 114.94 -1.027 . . . . 74.319999999999993 110.668 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -44.68 94.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.723 1.209 . . . . 43.409999999999997 111.503 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 53' ' ' ARG . 66.4 t -65.84 -51.95 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.553 -0.748 . . . . 73.409999999999997 110.398 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -58.98 -36.01 74.16 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.623 0.577 . . . . 70.010000000000005 111.368 177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.27 -39.9 89.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.406 0.683 . . . . 54.009999999999998 110.67 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.64 75.06 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.768 0.667 . . . . 72.239999999999995 111.32 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -87.29 -9.33 55.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.383 1.073 . . . . 74.239999999999995 111.722 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 66.78 29.05 8.7 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.838 1.255 . . . . 62.310000000000002 111.079 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.69 98.48 6.24 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.445 -1.317 . . . . 73.129999999999995 107.445 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.3 t -64.1 -40.81 97.02 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.986 -1.006 . . . . 70.329999999999998 111.865 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.86 -55.99 26.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.746 0.418 . . . . 72.109999999999999 110.54 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.22 -34.46 75.39 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 124.797 1.31 . . . . 53.119999999999997 114.632 -170.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.81 70.62 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.902 -0.407 . . . . 54.240000000000002 109.902 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -69.56 -28.88 66.36 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.795 0.838 . . . . 74.530000000000001 111.082 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -69.41 -42.27 75.26 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.175 1.39 . . . . 61.229999999999997 110.519 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HA ' ' HE1' ' A' ' 32' ' ' TYR . . . -69.71 -38.61 77.0 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 114.881 -1.054 . . . . 65.400000000000006 110.011 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.23 71.18 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 124.061 0.851 . . . . 25.329999999999998 111.676 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -71.98 -45.97 59.04 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.319 1.048 . . . . 73.530000000000001 110.609 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -69.5 -30.04 67.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.37 -0.832 . . . . 43.149999999999999 110.121 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.64 -37.01 83.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.791 0.836 . . . . 75.209999999999994 111.298 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -64.2 -34.21 77.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.55 0.34 . . . . 74.129999999999995 110.952 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 58.1 mm-40 -70.68 -47.79 58.1 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.942 0.497 . . . . 63.140000000000001 110.657 170.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.0 73.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.111 0.964 . . . . 72.549999999999997 112.147 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -62.61 -33.89 75.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.183 0.993 . . . . 74.140000000000001 112.446 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -65.59 -47.0 77.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.267 -0.642 . . . . 75.120000000000005 109.267 175.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 76' ' ' GLU . 49.4 mttm -68.85 -20.42 64.29 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.374 0.67 . . . . 62.240000000000002 111.432 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 48' ' ' ILE . 39.0 t -82.16 -49.33 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.576 1.15 . . . . 72.25 111.243 177.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.55 -55.29 4.07 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.143 0.577 . . . . 63.119999999999997 112.237 -173.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.19 70.4 0.24 Allowed Glycine 0 C--N 1.344 1.011 0 C-N-CA 121.805 -0.236 . . . . 64.140000000000001 112.592 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.8 t -173.58 51.32 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.462 1.105 . . . . 74.299999999999997 108.503 173.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.05 77.89 1.97 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 111.375 -0.69 . . . . 72.400000000000006 111.375 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.06 124.25 23.25 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.671 0.789 . . . . 71.340000000000003 111.039 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -76.58 152.08 36.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.946 0.898 . . . . 70.420000000000002 110.477 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.25 -40.55 2.57 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 116.13 -0.486 . . . . 52.530000000000001 112.498 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 64.36 -178.06 0.17 Allowed 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.488 1.115 . . . . 72.439999999999998 111.576 -177.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 pt -126.72 118.85 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.113 0.565 . . . . 73.549999999999997 110.121 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -77.63 -27.95 51.23 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.711 0.804 . . . . 73.439999999999998 109.063 171.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 68.65 179.21 0.24 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.68 1.592 . . . . 63.409999999999997 111.383 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt 66.77 17.95 10.63 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 124.285 1.034 . . . . 63.009999999999998 111.296 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -72.41 101.8 3.01 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.029 0.932 . . . . 75.340000000000003 109.695 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.12 138.54 8.05 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 111.579 -0.608 . . . . 63.009999999999998 111.579 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.17 117.2 16.73 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.793 0.837 . . . . 75.230000000000004 111.028 -175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m 69.27 80.69 0.18 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.599 1.16 . . . . 61.399999999999999 111.822 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.9 pt -93.48 155.42 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 115.564 -0.744 . . . . 73.239999999999995 109.981 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.5 mp 62.94 85.58 0.13 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.65 1.18 . . . . 73.439999999999998 111.022 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.381 0 C-N-CA 123.929 0.892 . . . . 74.519999999999996 110.8 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.085 -0.406 . . . . 73.040000000000006 112.085 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.45 13.45 81.71 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-O 119.981 -0.344 . . . . 32.32 112.617 -174.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -64.88 151.0 94.03 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.535 1.134 . . . . 74.010000000000005 111.742 -173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.14 -40.39 51.09 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 123.048 2.499 . . . . 43.310000000000002 114.003 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 8' ' ' ILE . 32.6 t70 -65.88 -38.04 87.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.63 0.772 . . . . 73.439999999999998 111.566 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.13 -37.46 87.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.893 0.477 . . . . 72.439999999999998 110.377 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -69.88 -33.24 71.96 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 115.705 -0.679 . . . . 71.420000000000002 111.155 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 34' ' ' ILE . 58.1 mt -52.72 -50.93 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.212 0.605 . . . . 73.049999999999997 110.143 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.39 79.69 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 124.314 1.009 . . . . 74.340000000000003 111.329 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 84.3 tttt -66.2 -38.63 88.45 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.636 0.774 . . . . 74.140000000000001 111.449 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -75.75 -24.92 56.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.338 0.655 . . . . 65.129999999999995 110.602 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 50.0 mt-10 -70.7 -31.64 68.57 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.606 0.763 . . . . 74.329999999999998 110.772 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 26.8 mtpp -63.68 -42.39 98.05 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.411 0.684 . . . . 65.209999999999994 109.445 172.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.24 -29.55 66.38 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.251 -0.886 . . . . 55.509999999999998 111.26 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -68.86 -45.72 70.34 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.164 0.986 . . . . 71.349999999999994 111.232 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mmtp -76.41 -31.99 58.26 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.468 -0.787 . . . . 71.299999999999997 111.019 -176.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.51 -43.27 85.75 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.774 -0.454 . . . . 74.439999999999998 109.774 172.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.284 1.033 . . . . 54.100000000000001 111.222 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.316 1.046 . . . . 62.109999999999999 110.731 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 28.6 mm-40 -70.0 -31.56 69.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.001 0.52 . . . . 61.340000000000003 111.17 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.78 -13.77 59.79 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.304 0.642 . . . . 74.019999999999996 110.603 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 62.81 30.62 16.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.651 1.18 . . . . 73.530000000000001 111.086 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.429 ' HB2' HD12 ' A' ' 26' ' ' LEU . 73.7 mt-30 -110.4 105.73 14.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.303 -0.999 . . . . 74.140000000000001 108.303 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.65 -37.88 92.81 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.321 -0.854 . . . . 71.030000000000001 113.27 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.53 -36.74 69.56 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.518 0.727 . . . . 64.230000000000004 111.401 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 23' ' ' GLN . 78.2 mt -66.48 -43.25 85.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.998 0.919 . . . . 73.030000000000001 110.655 174.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.0 mtm -64.49 -35.22 80.22 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.622 0.769 . . . . 71.109999999999999 111.203 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.52 -45.97 80.86 Favored Glycine 0 C--N 1.347 1.152 0 N-CA-C 110.934 -0.866 . . . . 53.149999999999999 110.934 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.32 -35.25 76.86 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.537 0.735 . . . . 72.129999999999995 110.715 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.55 57.31 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.656 0.782 . . . . 43.140000000000001 111.031 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 96.3 mt -63.3 -36.36 83.42 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.627 0.771 . . . . 62.140000000000001 110.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 66.5 t80 -58.83 -49.76 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.466 1.106 . . . . 73.439999999999998 110.829 176.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 85.7 m-20 -66.19 -37.63 86.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.681 0.792 . . . . 65.430000000000007 111.281 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 8' ' ' ILE . 95.1 mt -59.72 -43.16 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.776 0.83 . . . . 51.530000000000001 110.013 173.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.43 89.57 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 114.967 -1.015 . . . . 74.329999999999998 112.514 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.79 -38.77 92.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.106 0.562 . . . . 65.519999999999996 110.547 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 27.2 mm-40 -70.76 -40.79 72.47 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.883 0.74 . . . . 72.420000000000002 110.677 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 8' ' ' ILE . 73.8 mmtt -59.77 -45.12 93.25 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.144 0.577 . . . . 72.540000000000006 110.142 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.91 -44.04 97.16 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.533 1.133 . . . . 72.25 110.836 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -74.66 -21.11 59.59 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.16 0.584 . . . . 71.510000000000005 111.605 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.6 mtp -84.32 -0.86 54.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.57 0.748 . . . . 73.230000000000004 111.706 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.54 1.98 90.56 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.276 0.36 . . . . 62.130000000000003 112.993 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -93.28 56.0 2.39 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.844 1.258 . . . . 64.140000000000001 108.702 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.2 t -65.53 -25.44 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 CA-C-N 113.217 -1.811 . . . . 73.219999999999999 111.311 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' HG13 ' A' ' 81' ' ' VAL . 34.6 mmtp -63.48 -51.9 63.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.205 0.602 . . . . 74.019999999999996 111.091 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.02 -32.71 74.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.043 0.839 . . . . 73.340000000000003 110.774 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.67 72.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.772 0.829 . . . . 60.310000000000002 110.903 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.35 -46.11 81.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 124.884 1.274 . . . . 62.530000000000001 110.702 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -53.89 -45.51 71.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.327 1.017 . . . . 61.009999999999998 110.928 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 40.6 m-85 -73.62 -32.01 63.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.366 -0.834 . . . . 75.019999999999996 112.731 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -74.7 -28.67 60.91 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.301 0.375 . . . . 73.140000000000001 110.444 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -75.41 -41.38 56.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.464 0.706 . . . . 63.509999999999998 109.618 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 57' ' ' VAL . 72.1 mtt85 -70.62 -35.92 73.19 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.125 -0.943 . . . . 71.109999999999999 110.562 175.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.65 68.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.255 0.622 . . . . 62.130000000000003 110.146 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.64 -34.96 79.43 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 124.578 1.174 . . . . 63.229999999999997 110.691 -178.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.95 -47.66 77.19 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.627 0.771 . . . . 55.329999999999998 110.923 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 53' ' ' ARG . 25.2 t -70.57 -34.42 57.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.743 -0.662 . . . . 75.140000000000001 110.127 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.76 -37.82 87.39 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.123 0.569 . . . . 71.150000000000006 111.338 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.47 -33.16 72.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.408 0.683 . . . . 62.119999999999997 109.677 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.37 85.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.597 0.759 . . . . 71.140000000000001 110.637 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.85 -14.0 58.99 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.739 0.816 . . . . 72.140000000000001 111.831 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.8 m80 68.97 22.66 6.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.96 1.304 . . . . 73.129999999999995 110.463 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -88.42 101.5 13.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.538 1.135 . . . . 63.25 109.309 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.172 0.589 . . . . 75.25 111.777 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.81 -47.18 78.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.542 0.737 . . . . 71.310000000000002 110.734 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.78 -32.04 61.75 Favored Glycine 0 C--N 1.339 0.742 0 O-C-N 124.142 0.901 . . . . 51.009999999999998 112.734 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.4 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.738 0.415 . . . . 72.5 110.412 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.31 -35.11 66.02 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.227 1.011 . . . . 64.040000000000006 110.856 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.5 tpp180 -60.17 -46.23 90.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.952 0.901 . . . . 72.450000000000003 109.487 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.25 84.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 114.646 -1.161 . . . . 74.049999999999997 110.866 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.274 0.842 . . . . 71.230000000000004 113.274 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -75.61 -40.18 56.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.391 0.676 . . . . 75.5 109.585 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.6 m -70.55 -29.71 66.25 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.416 -0.811 . . . . 62.409999999999997 111.073 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -69.86 -42.91 72.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.892 0.877 . . . . 70.349999999999994 110.555 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 31.2 t -60.01 -41.79 92.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.909 0.755 . . . . 62.5 110.113 -177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 43.4 mt-10 -65.03 -45.46 85.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.657 0.598 . . . . 74.010000000000005 111.268 171.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.58 79.73 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.112 0.882 . . . . 61.329999999999998 111.339 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -66.53 -32.46 73.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.97 0.908 . . . . 72.310000000000002 111.652 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.766 ' HB3' ' HA3' ' A' ' 85' ' ' GLY . 77.1 mt-30 -62.61 -44.03 97.33 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.374 0.67 . . . . 74.319999999999993 110.912 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 44.7 mttm -72.46 -36.54 68.51 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.803 0.841 . . . . 65.099999999999994 110.327 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 45' ' ' LYS . 5.1 t -63.63 -56.79 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.802 1.241 . . . . 73.109999999999999 111.342 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.83 -40.34 87.94 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.061 0.85 . . . . 75.209999999999994 110.554 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 139.59 -86.9 0.2 Allowed Glycine 0 C--N 1.348 1.197 0 O-C-N 123.262 0.351 . . . . 72.310000000000002 112.635 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.0 p -78.27 78.26 4.75 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.022 0.929 . . . . 72.209999999999994 111.426 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.766 ' HA3' ' HB3' ' A' ' 79' ' ' GLN . . . -107.76 178.4 21.57 Favored Glycine 0 C--N 1.335 0.492 0 CA-C-N 115.364 -0.835 . . . . 42.020000000000003 111.451 172.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.99 167.0 22.39 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.962 0.505 . . . . 75.340000000000003 110.375 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -86.73 55.09 3.41 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 123.133 0.573 . . . . 75.510000000000005 109.585 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.23 141.39 41.08 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.046 -0.979 . . . . 73.230000000000004 112.141 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -164.28 70.54 0.2 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.63 1.172 . . . . 64.120000000000005 108.225 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.4 pt -58.34 -20.39 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 115.205 -0.907 . . . . 54.539999999999999 111.89 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -85.65 94.52 9.1 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.873 0.869 . . . . 75.120000000000005 110.393 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -95.28 103.12 14.97 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 107.186 -1.413 . . . . 75.329999999999998 107.186 167.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.0 101.35 0.84 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.748 0.419 . . . . 75.329999999999998 110.275 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -87.45 146.51 25.81 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.657 1.183 . . . . 70.239999999999995 108.797 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.03 -46.54 93.84 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 123.249 0.452 . . . . 73.299999999999997 113.778 -176.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 63.46 -84.87 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.014 1.325 . . . . 64.209999999999994 112.765 175.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.9 p -92.14 84.83 5.32 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-O 121.243 0.545 . . . . 32.439999999999998 110.084 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 40.2 pt -107.1 119.76 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 108.975 -0.75 . . . . 62.350000000000001 108.975 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.75 85.19 1.66 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.873 0.869 . . . . 63.109999999999999 109.731 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 CA--C 1.547 0.845 0 C-N-CA 124.653 1.181 . . . . 75.25 109.476 -179.36 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.256 -0.738 . . . . 61.109999999999999 111.256 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.98 105.79 1.69 Allowed Glycine 0 C--N 1.351 1.395 0 CA-C-O 119.97 -0.35 . . . . 72.209999999999994 112.382 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -67.99 164.85 37.54 Favored Pre-proline 0 CA--C 1.552 1.058 0 C-N-CA 123.785 0.834 . . . . 55.43 110.934 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HA ' HD22 ' A' ' 7' ' ' ASN . 98.4 Cg_exo -45.45 -35.89 12.68 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 123.366 2.711 . . . . 73.129999999999995 113.298 168.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.82 -47.17 86.31 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.212 1.005 . . . . 73.340000000000003 111.012 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.76 -27.29 61.93 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.261 -0.427 . . . . 74.109999999999999 110.888 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 4' ' ' PRO . 83.4 m-20 -66.65 -38.76 87.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.011 0.524 . . . . 72.319999999999993 109.822 177.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.87 -38.33 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.141 0.976 . . . . 73.329999999999998 110.666 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.19 82.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.356 0.662 . . . . 74.239999999999995 111.312 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.04 -47.45 82.96 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.472 0.653 . . . . 63.530000000000001 109.788 172.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -70.68 -21.3 62.6 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.783 -1.099 . . . . 55.32 111.404 -174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.72 -42.15 97.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.862 0.865 . . . . 65.340000000000003 110.913 171.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -37.73 88.1 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.231 -0.655 . . . . 44.43 109.231 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.46 91.16 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.656 0.598 . . . . 63.229999999999997 111.497 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -74.29 -49.95 20.93 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.603 0.761 . . . . 64.450000000000003 111.362 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.11 -32.83 63.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.543 0.737 . . . . 74.010000000000005 111.503 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 56.8 tttp -78.3 -28.45 47.46 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 110.199 -0.297 . . . . 41.310000000000002 110.199 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.17 94.97 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.351 0.596 . . . . 73.209999999999994 110.027 169.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.93 -43.28 75.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.982 1.313 . . . . 71.409999999999997 111.576 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 14.5 pt-20 -67.15 -30.23 70.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 120.832 0.348 . . . . 64.319999999999993 110.606 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.76 -9.08 59.06 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.77 0.828 . . . . 74.109999999999999 111.531 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.59 21.25 9.49 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.337 1.455 . . . . 72.519999999999996 111.528 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -96.82 101.83 13.5 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.849 -0.797 . . . . 70.450000000000003 108.849 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.07 91.56 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 114.856 -1.065 . . . . 74.030000000000001 113.083 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -54.16 -41.13 68.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.591 0.756 . . . . 52.350000000000001 111.935 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.81 -37.58 67.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.966 0.906 . . . . 74.340000000000003 110.854 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.47 -41.11 93.72 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.557 0.536 . . . . 55.130000000000003 110.764 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.89 96.74 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.96 0.787 . . . . 72.219999999999999 111.474 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -56.45 -44.86 80.89 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.236 0.614 . . . . 64.0 110.408 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.94 73.09 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.235 0.959 . . . . 62.140000000000001 111.692 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.14 -46.34 87.67 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.136 0.974 . . . . 74.230000000000004 111.446 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -56.16 -47.13 78.82 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.271 0.982 . . . . 73.420000000000002 110.322 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.1 t30 -69.0 -37.46 78.72 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.602 -1.181 . . . . 73.129999999999995 110.898 -173.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.0 -37.34 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.978 0.911 . . . . 74.400000000000006 110.007 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.94 -37.29 94.68 Favored Glycine 0 C--N 1.343 0.944 0 O-C-N 123.891 0.744 . . . . 55.32 112.37 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.93 -37.61 87.7 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.984 0.514 . . . . 63.100000000000001 110.299 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 7.1 mm-40 -73.1 -36.25 66.74 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.763 -0.653 . . . . 63.240000000000002 110.908 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.86 -42.4 85.75 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.949 0.499 . . . . 72.019999999999996 110.028 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.89 -45.15 95.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.041 0.936 . . . . 63.409999999999997 110.131 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -76.33 -22.05 55.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.492 0.717 . . . . 62.43 112.004 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.4 mtp -80.98 2.42 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.429 0.691 . . . . 74.519999999999996 111.639 173.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.77 78.34 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 122.794 0.235 . . . . 73.209999999999994 112.802 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -85.19 58.26 4.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.593 1.157 . . . . 52.140000000000001 110.247 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 80' ' ' LYS . 46.8 t -71.05 -30.34 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.691 0.796 . . . . 70.209999999999994 111.186 -173.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HE2' HG22 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -71.0 -40.58 71.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.112 0.565 . . . . 62.530000000000001 109.941 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.25 -43.0 99.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.598 0.759 . . . . 64.519999999999996 109.907 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.6 91.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.042 0.937 . . . . 72.219999999999999 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.1 mt -53.63 -50.94 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.301 1.04 . . . . 73.209999999999994 109.983 175.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.52 -35.05 75.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.624 0.769 . . . . 64.310000000000002 111.463 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.37 -40.64 77.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.957 0.503 . . . . 70.230000000000004 111.478 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.53 -29.99 65.39 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.381 0.426 . . . . 73.409999999999997 110.405 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 81.9 mt -70.26 -46.36 64.54 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.832 0.853 . . . . 64.209999999999994 109.638 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' VAL . 82.3 mtp180 -63.72 -48.59 76.44 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 124.082 0.864 . . . . 62.119999999999997 109.651 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.55 72.43 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.971 0.908 . . . . 72.129999999999995 110.821 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.92 -42.39 90.18 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.141 -0.936 . . . . 73.150000000000006 110.499 -177.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -61.81 -37.2 83.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.949 0.9 . . . . 42.399999999999999 110.906 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 53' ' ' ARG . 94.7 t -71.89 -40.18 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.291 -0.868 . . . . 65.109999999999999 110.051 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -64.16 -33.03 74.85 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.462 0.705 . . . . 74.150000000000006 110.888 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -66.73 -40.68 88.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.879 0.872 . . . . 73.140000000000001 109.323 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -27.36 64.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.363 -0.835 . . . . 74.549999999999997 111.364 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -80.31 -11.8 59.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.714 0.806 . . . . 54.100000000000001 111.048 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 64.09 24.98 13.65 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.036 0.934 . . . . 55.119999999999997 110.838 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.38 100.82 12.54 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.902 1.281 . . . . 35.399999999999999 108.587 175.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 t -73.37 -31.28 63.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.349 -0.842 . . . . 75.040000000000006 110.654 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.0 -50.66 72.88 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.244 1.018 . . . . 63.130000000000003 111.014 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.93 -36.15 61.21 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 115.374 -0.83 . . . . 62.210000000000001 112.568 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.52 94.06 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.962 0.448 . . . . 72.239999999999995 111.198 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -74.03 -32.08 63.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.552 1.141 . . . . 74.200000000000003 111.448 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttp-105 -68.42 -38.34 81.14 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 73.319999999999993 110.257 176.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.51 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.226 -0.897 . . . . 71.0 110.22 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.9 74.37 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.952 0.901 . . . . 73.310000000000002 111.505 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.39 -44.74 78.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.352 0.661 . . . . 75.239999999999995 110.019 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 t -68.26 -33.93 75.26 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.412 -0.813 . . . . 63.350000000000001 110.355 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.4 -38.58 91.71 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.599 -0.728 . . . . 71.430000000000007 111.034 172.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.46 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 26.0 t -61.08 -37.27 82.09 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.132 0.573 . . . . 75.400000000000006 110.057 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.62 -40.29 61.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.67 0.788 . . . . 73.319999999999993 111.0 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.66 88.05 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.559 0.744 . . . . 63.100000000000001 111.531 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 21.9 m-85 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.889 0.476 . . . . 74.109999999999999 110.8 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 75' ' ' SER . 74.9 mt-30 -59.47 -36.38 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.34 0.59 . . . . 74.140000000000001 111.016 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HB2' HG11 ' A' ' 44' ' ' VAL . 93.4 mttt -82.67 -6.62 59.47 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.607 -1.179 . . . . 71.430000000000007 111.831 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG22 ' HE2' ' A' ' 45' ' ' LYS . 86.1 t -119.03 -78.09 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 123.831 0.853 . . . . 73.120000000000005 109.456 -177.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 43.8 mt-10 44.98 65.09 1.17 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.917 1.287 . . . . 70.450000000000003 112.385 -173.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -85.41 153.52 27.66 Favored Glycine 0 C--N 1.342 0.881 0 CA-C-N 115.032 -0.985 . . . . 24.239999999999998 110.748 173.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.6 m -82.05 57.34 3.48 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.557 0.743 . . . . 45.140000000000001 111.342 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.03 -21.73 79.03 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.549 -0.75 . . . . 63.32 112.339 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -66.49 -34.5 78.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.883 0.873 . . . . 74.239999999999995 110.821 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.52 -44.22 65.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.488 0.715 . . . . 72.439999999999998 110.416 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.35 -69.27 3.17 Favored Glycine 0 C--N 1.35 1.345 0 O-C-N 123.828 0.705 . . . . 75.019999999999996 111.419 -174.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.632 ' HD3' ' H ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -113.24 161.35 17.3 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.509 1.524 . . . . 72.230000000000004 108.338 176.26 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.2 pt -103.45 8.69 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.189 0.595 . . . . 74.109999999999999 111.759 -174.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 80.5 t80 65.31 89.54 0.1 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.488 1.115 . . . . 73.519999999999996 109.932 -174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -81.48 118.14 22.48 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.849 -0.614 . . . . 74.530000000000001 110.317 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -115.66 -32.05 5.64 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.128 0.971 . . . . 71.329999999999998 108.548 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -101.18 130.01 47.19 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.663 1.185 . . . . 75.040000000000006 108.396 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.63 110.75 3.68 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-O 119.214 -0.77 . . . . 72.129999999999995 113.04 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 64.8 -80.5 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.722 1.209 . . . . 74.109999999999999 111.454 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.1 t -161.29 5.69 0.07 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.203 1.001 . . . . 75.409999999999997 110.058 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.1 pt -104.27 168.1 2.54 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 C-N-CA 123.66 0.784 . . . . 60.210000000000001 109.922 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.24 -171.06 1.8 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.49 0.716 . . . . 73.329999999999998 110.617 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 CA--C 1.556 1.183 0 C-N-CA 124.247 1.019 . . . . 61.240000000000002 111.26 -178.064 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.836 0 N-CA-C 111.966 -0.454 . . . . 74.049999999999997 111.966 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.24 -168.68 29.93 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.857 0.386 . . . . 61.43 112.644 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.1 p -71.4 144.15 88.83 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.531 0.732 . . . . 65.409999999999997 110.515 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.31 -29.01 28.59 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 123.613 2.876 . . . . 75.450000000000003 115.794 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 t70 -69.81 -23.3 63.3 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.286 0.476 . . . . 74.310000000000002 112.286 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.19 -36.88 61.38 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.051 0.54 . . . . 74.349999999999994 109.689 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.586 -0.734 . . . . 64.150000000000006 109.714 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 5' ' ' ASP . 80.1 mt -60.7 -42.23 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.547 1.139 . . . . 74.340000000000003 111.589 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -31.59 67.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.263 0.625 . . . . 74.219999999999999 111.229 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -75.17 -44.15 48.36 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.057 0.943 . . . . 71.25 110.72 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.65 -24.88 64.59 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.633 0.773 . . . . 75.450000000000003 111.612 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -41.74 47.69 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.839 1.255 . . . . 64.409999999999997 108.284 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -68.95 -32.39 71.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.557 -0.747 . . . . 71.109999999999999 110.307 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.12 61.3 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.024 0.929 . . . . 64.140000000000001 110.71 175.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.59 -46.39 63.54 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.981 0.912 . . . . 53.219999999999999 110.056 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.4 mmtm -65.47 -35.36 80.68 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.196 0.935 . . . . 73.400000000000006 111.196 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -67.15 -46.5 73.87 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.075 0.95 . . . . 74.349999999999994 109.77 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.36 75.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.605 1.162 . . . . 54.200000000000003 111.256 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.18 -35.76 66.45 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.872 1.269 . . . . 74.409999999999997 109.464 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 44.0 mm-40 -63.25 -38.27 90.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.15 0.58 . . . . 71.030000000000001 110.706 174.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.65 -15.24 59.32 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.063 -0.971 . . . . 74.030000000000001 111.34 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.85 24.5 14.6 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.996 1.318 . . . . 62.149999999999999 110.464 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.406 ' HB2' HD12 ' A' ' 26' ' ' LEU . 79.0 mt-30 -96.87 99.85 11.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.905 . . . . 74.439999999999998 109.397 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.84 -22.63 78.69 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 115.148 -0.933 . . . . 64.209999999999994 114.728 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.32 -47.45 86.0 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.241 -0.651 . . . . 64.310000000000002 109.241 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' A' ' 23' ' ' GLN . 96.8 mt -62.46 -45.27 93.82 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.712 -1.131 . . . . 71.409999999999997 110.894 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -62.43 -40.58 97.03 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.545 0.738 . . . . 74.140000000000001 111.816 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.62 75.49 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.234 -0.894 . . . . 54.030000000000001 111.36 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.19 -31.73 73.05 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.611 0.765 . . . . 54.329999999999998 110.691 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.31 66.32 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.612 0.765 . . . . 32.409999999999997 110.27 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.27 -33.41 75.26 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.004 0.922 . . . . 64.549999999999997 111.621 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 45.8 t80 -65.84 -45.05 83.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.493 0.717 . . . . 73.019999999999996 109.079 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 93.9 m-20 -66.13 -45.33 81.44 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.98 0.8 . . . . 73.109999999999999 111.006 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 90.4 mt -56.2 -41.67 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.338 0.655 . . . . 54.420000000000002 109.75 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.32 89.04 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.092 0.87 . . . . 64.150000000000006 112.717 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 90.0 mt -59.54 -37.32 78.09 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.585 0.754 . . . . 63.450000000000003 110.311 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 25.7 mm-40 -66.84 -47.91 70.49 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.029 0.831 . . . . 75.420000000000002 110.391 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 72.6 mmtt -57.17 -38.89 74.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.011 0.434 . . . . 74.510000000000005 110.563 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -64.6 -46.91 80.65 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.617 1.167 . . . . 54.009999999999998 110.149 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -76.65 -16.4 59.56 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.346 0.659 . . . . 54.329999999999998 111.983 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 90.4 mtp -74.74 -22.35 58.85 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.972 0.509 . . . . 73.530000000000001 110.594 171.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.24 -17.5 40.57 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.127 -0.488 . . . . 70.510000000000005 112.248 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -87.66 64.23 7.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.087 0.946 . . . . 74.230000000000004 109.954 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.63 -25.25 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 113.72 -1.582 . . . . 71.030000000000001 110.828 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -40.82 91.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.788 1.235 . . . . 63.439999999999998 110.917 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.69 -38.94 70.51 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.154 0.582 . . . . 61.310000000000002 110.148 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -41.65 67.66 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.507 1.123 . . . . 73.109999999999999 111.375 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -52.28 -54.29 15.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 O-C-N 124.885 1.366 . . . . 64.049999999999997 111.27 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.44 -34.08 74.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.47 0.708 . . . . 72.430000000000007 111.961 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -73.59 -34.07 64.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.259 0.624 . . . . 71.349999999999994 112.393 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.83 -29.26 58.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.598 0.359 . . . . 74.310000000000002 110.389 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.31 -44.5 71.64 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.625 0.77 . . . . 73.420000000000002 109.296 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 57' ' ' VAL . 66.1 mtt-85 -66.49 -47.93 71.45 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 114.621 -1.172 . . . . 64.510000000000005 110.257 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.47 72.22 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.143 0.902 . . . . 72.109999999999999 111.206 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.92 -34.79 78.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.373 1.069 . . . . 74.109999999999999 111.567 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.53 -39.2 70.88 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.922 0.889 . . . . 71.420000000000002 111.021 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 53' ' ' ARG . 50.0 t -69.63 -38.63 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 109.185 -0.672 . . . . 74.409999999999997 109.185 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.28 -29.89 69.62 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.712 0.805 . . . . 75.450000000000003 111.697 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.82 -40.18 83.83 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.114 -0.698 . . . . 62.109999999999999 109.114 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.64 90.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.316 0.647 . . . . 62.210000000000001 110.644 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 12.1 mm-40 -76.93 -16.3 59.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.671 -0.695 . . . . 74.530000000000001 111.977 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 m80 60.81 26.74 16.56 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.571 1.149 . . . . 45.43 110.177 -173.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.67 101.22 10.69 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.315 1.046 . . . . 63.130000000000003 108.711 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 t -66.95 -29.63 69.54 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.313 -0.858 . . . . 65.010000000000005 112.114 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.5 -59.41 5.28 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.229 0.612 . . . . 62.43 110.695 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.23 -32.27 65.59 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 124.236 0.96 . . . . 64.340000000000003 113.416 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.49 97.35 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.54 0.336 . . . . 74.129999999999995 110.451 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -73.06 -30.52 63.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.441 0.697 . . . . 71.209999999999994 111.246 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -60.24 -48.61 81.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.582 0.753 . . . . 64.200000000000003 110.445 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.46 -34.42 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 114.926 -1.034 . . . . 73.519999999999996 110.638 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.66 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.56 0.744 . . . . 63.329999999999998 111.678 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -67.09 -48.45 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.418 1.087 . . . . 52.219999999999999 109.271 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -68.69 -29.93 68.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.294 -0.866 . . . . 74.109999999999999 110.879 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.44 -45.48 87.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.916 0.886 . . . . 74.109999999999999 110.743 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 t -59.63 -39.33 83.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.632 0.373 . . . . 74.450000000000003 110.326 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.03 -37.8 75.7 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.97 0.508 . . . . 42.530000000000001 110.128 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.57 81.2 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.929 0.892 . . . . 74.349999999999994 111.226 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.262 0.625 . . . . 73.099999999999994 111.745 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -68.91 -28.32 66.56 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.676 0.39 . . . . 72.319999999999993 110.981 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.43 -44.8 16.97 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.273 0.629 . . . . 54.299999999999997 110.865 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.84 -43.66 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.116 0.966 . . . . 71.319999999999993 110.53 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -104.66 34.91 2.94 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.191 0.996 . . . . 71.540000000000006 110.256 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.63 67.93 2.54 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 116.25 -0.432 . . . . 74.239999999999995 112.621 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.8 m -74.77 -40.56 61.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.989 0.915 . . . . 45.210000000000001 109.897 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.17 29.71 11.86 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 114.799 -1.091 . . . . 45.229999999999997 112.166 174.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -84.88 170.9 12.66 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.96 0.904 . . . . 73.120000000000005 109.155 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.53 -31.57 72.78 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.53 0.732 . . . . 63.240000000000002 110.965 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.34 -70.1 2.24 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 115.416 -0.811 . . . . 43.350000000000001 112.197 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -120.65 131.05 54.39 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.741 0.816 . . . . 61.43 109.728 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.5 pt -134.08 108.15 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.553 1.141 . . . . 55.409999999999997 108.783 171.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -79.54 72.83 6.22 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 107.457 -1.312 . . . . 41.420000000000002 107.457 170.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -142.36 169.54 17.4 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.57 1.548 . . . . 74.040000000000006 108.721 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -125.53 78.38 1.73 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.942 -1.133 . . . . 73.329999999999998 107.942 171.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.54 140.79 37.48 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.632 -1.167 . . . . 63.130000000000003 107.991 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.64 44.97 4.42 Favored Glycine 0 C--N 1.344 0.986 0 N-CA-C 111.19 -0.764 . . . . 75.540000000000006 111.19 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.64 134.07 46.11 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.815 0.846 . . . . 75.439999999999998 111.426 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.6 m -72.05 109.91 6.17 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.29 0.636 . . . . 61.43 109.44 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.55 119.34 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 N-CA-C 108.529 -0.915 . . . . 72.310000000000002 108.529 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.62 -30.76 66.14 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.639 0.775 . . . . 70.510000000000005 111.255 -171.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 124.131 0.972 . . . . 73.019999999999996 109.265 175.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.446 -0.262 . . . . 62.329999999999998 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.36 166.89 25.67 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 111.116 -0.794 . . . . 61.219999999999999 111.116 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.4 p -67.19 150.09 98.1 Favored Pre-proline 0 N--CA 1.473 0.714 0 CA-C-O 118.834 -0.603 . . . . 72.0 110.172 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 8' ' ' ILE . 9.9 Cg_endo -50.76 -32.27 36.01 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.998 2.465 . . . . 62.420000000000002 112.642 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.568 ' HA ' HD12 ' A' ' 8' ' ' ILE . 34.6 t70 -58.69 -43.61 90.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.361 1.064 . . . . 72.140000000000001 111.376 174.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -69.43 -38.18 77.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.254 0.622 . . . . 74.239999999999995 111.548 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -66.03 -30.74 71.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.816 0.447 . . . . 71.120000000000005 111.479 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.8 mt -52.96 -43.43 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 124.341 1.056 . . . . 72.340000000000003 111.161 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.55 74.61 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 124.183 0.927 . . . . 72.049999999999997 111.998 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.64 -39.93 88.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.02 0.928 . . . . 62.219999999999999 110.66 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.3 -28.45 65.2 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.994 -0.548 . . . . 74.120000000000005 110.868 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 52.5 mt-10 -73.97 -33.53 63.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.446 0.698 . . . . 75.299999999999997 110.919 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -69.14 -37.29 78.2 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.988 0.423 . . . . 72.239999999999995 109.918 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.48 66.53 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.982 -1.008 . . . . 63.329999999999998 110.828 174.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.45 -43.87 59.36 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.628 1.171 . . . . 54.140000000000001 111.199 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 34.3 mmtp -76.48 -33.21 58.68 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.878 0.471 . . . . 74.420000000000002 111.146 -176.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -67.84 -44.71 76.57 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 109.442 -0.577 . . . . 74.319999999999993 109.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.26 70.29 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.845 0.858 . . . . 52.119999999999997 111.304 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.28 -48.82 79.64 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.857 1.263 . . . . 70.299999999999997 111.787 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.19 -19.72 61.04 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.574 0.349 . . . . 73.030000000000001 111.306 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.7 -9.39 58.88 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.555 0.742 . . . . 72.219999999999999 111.191 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 t30 66.21 19.96 11.09 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.137 1.375 . . . . 64.219999999999999 110.822 -176.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -93.1 89.79 6.62 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.904 -0.776 . . . . 74.450000000000003 108.904 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.55 -22.61 76.64 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 114.724 -1.125 . . . . 74.019999999999996 113.21 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 7.0 pt-20 -61.73 -43.91 97.94 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 109.749 -0.463 . . . . 75.209999999999994 109.749 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.8 -42.89 97.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.092 0.957 . . . . 74.230000000000004 110.23 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 mtm -62.93 -36.74 84.42 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.698 0.624 . . . . 54.450000000000003 111.713 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.57 -43.75 75.33 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.323 -0.711 . . . . 62.240000000000002 111.323 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 24.0 mtt-85 -66.56 -33.6 76.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.392 0.677 . . . . 75.329999999999998 109.969 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -51.86 65.51 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.155 0.909 . . . . 62.329999999999998 110.207 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.9 mt -64.01 -34.89 79.04 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.891 0.745 . . . . 65.040000000000006 111.197 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -62.82 -47.79 81.89 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.537 0.735 . . . . 75.409999999999997 109.945 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 91.0 m-20 -67.94 -41.68 82.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.311 0.645 . . . . 65.430000000000007 111.092 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.5 mt -58.62 -41.08 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.46 0.704 . . . . 71.400000000000006 109.958 174.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.36 97.2 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.289 -0.869 . . . . 44.109999999999999 111.937 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.0 mt -64.47 -35.76 81.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.306 0.642 . . . . 74.219999999999999 111.048 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.0 mm-40 -65.58 -43.22 90.43 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.48 0.487 . . . . 62.509999999999998 110.457 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HE2' HD13 ' A' ' 8' ' ' ILE . 5.2 mptp? -60.76 -44.2 97.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.875 0.87 . . . . 74.549999999999997 110.072 174.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -63.26 -35.59 80.84 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 124.257 0.973 . . . . 60.210000000000001 110.721 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 34.5 mtmm -71.75 -30.39 65.55 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.29 0.636 . . . . 74.120000000000005 111.295 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.411 ' HE3' ' HD2' ' A' ' 43' ' ' LYS . 77.4 mtm -81.53 -4.11 55.07 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.03 0.532 . . . . 73.340000000000003 111.3 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.96 88.06 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 120.064 -0.298 . . . . 45.439999999999998 112.977 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HD2' ' HE3' ' A' ' 41' ' ' MET . 92.4 mttt -89.54 62.29 5.87 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.056 1.342 . . . . 74.549999999999997 108.799 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 t -72.02 -27.01 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.35 -1.295 . . . . 71.310000000000002 112.007 -166.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HE3' HG13 ' A' ' 81' ' ' VAL . 10.7 mptt -63.97 -42.16 97.32 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 110.338 -0.245 . . . . 72.209999999999994 110.338 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.43 -43.43 94.35 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.81 0.694 . . . . 74.040000000000006 110.327 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.9 -44.24 70.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.076 0.951 . . . . 64.209999999999994 110.843 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 81' ' ' VAL . 96.6 mt -56.41 -48.71 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.898 1.279 . . . . 73.430000000000007 111.295 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.37 -47.13 76.25 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.326 1.016 . . . . 72.439999999999998 110.326 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 57.2 m-85 -66.3 -39.13 89.13 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.186 0.929 . . . . 70.219999999999999 112.364 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.65 -29.61 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.382 0.426 . . . . 75.209999999999994 110.922 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.13 -43.02 59.05 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.54 0.736 . . . . 72.329999999999998 110.323 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 57' ' ' VAL . 75.6 mtt180 -66.51 -46.96 74.49 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.43 -0.804 . . . . 73.329999999999998 109.581 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.02 75.43 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.671 1.232 . . . . 74.099999999999994 110.562 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.17 -39.77 91.39 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 111.725 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -68.94 -45.76 69.95 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.243 0.617 . . . . 73.019999999999996 110.977 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.8 t -66.99 -32.37 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 C-N-CA 123.519 0.728 . . . . 74.129999999999995 110.144 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -67.22 -45.55 76.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.186 0.994 . . . . 72.319999999999993 110.244 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.16 -40.27 85.07 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.983 0.913 . . . . 52.520000000000003 111.439 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.53 79.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.184 -0.916 . . . . 71.019999999999996 111.184 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 12.2 mm-40 -85.75 -7.93 58.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 74.310000000000002 112.045 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.2 m80 64.76 24.24 12.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 124.527 1.131 . . . . 71.019999999999996 111.283 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.37 70.44 10.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.9 1.28 . . . . 72.129999999999995 107.576 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -73.43 -31.66 63.95 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.301 -0.863 . . . . 74.239999999999995 112.772 -166.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.77 -32.05 65.35 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.706 0.402 . . . . 74.400000000000006 110.772 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.23 86.16 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.441 -0.663 . . . . 42.240000000000002 111.441 172.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.91 83.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.926 0.89 . . . . 53.43 111.116 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -70.6 -34.07 71.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.546 1.539 . . . . 71.549999999999997 110.948 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -75.5 -35.1 60.86 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 73.439999999999998 109.975 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.71 94.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 115.703 -0.68 . . . . 32.229999999999997 109.561 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -72.19 -30.27 64.79 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.265 1.026 . . . . 55.439999999999998 111.79 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.59 -37.25 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.423 0.689 . . . . 63.350000000000001 110.231 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -71.46 -31.09 66.77 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.485 -0.78 . . . . 73.140000000000001 109.452 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 71' ' ' ALA . 14.5 mt -62.79 -52.39 63.38 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.177 0.991 . . . . 72.109999999999999 111.302 175.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.7 p -59.52 -38.78 81.87 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.616 0.572 . . . . 34.219999999999999 111.46 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -34.95 77.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.494 1.118 . . . . 75.010000000000005 111.335 174.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.61 63.63 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.949 0.9 . . . . 72.5 111.732 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -61.31 -30.86 70.76 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.494 0.718 . . . . 73.349999999999994 112.064 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HB3' ' HA3' ' A' ' 85' ' ' GLY . 40.0 mt-30 -60.8 -35.78 77.34 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.414 0.686 . . . . 63.030000000000001 110.966 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -74.15 -34.39 63.83 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.008 -0.996 . . . . 72.510000000000005 110.411 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.677 HG13 ' HE3' ' A' ' 45' ' ' LYS . 57.2 t -69.56 -35.09 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 124.26 1.024 . . . . 73.209999999999994 110.669 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -83.62 3.48 32.6 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.287 -0.869 . . . . 73.420000000000002 111.693 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.88 -82.26 1.7 Allowed Glycine 0 C--N 1.349 1.296 0 CA-C-N 116.268 -0.423 . . . . 75.420000000000002 112.098 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.3 p -76.71 110.27 11.16 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.937 0.495 . . . . 63.299999999999997 109.789 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 79' ' ' GLN . . . -151.99 -154.89 6.79 Favored Glycine 0 C--N 1.335 0.475 0 N-CA-C 111.226 -0.75 . . . . 54.399999999999999 111.226 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.94 148.29 46.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.947 0.499 . . . . 63.039999999999999 109.821 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -21.82 59.71 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 117.663 0.21 . . . . 61.039999999999999 111.207 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.48 56.44 2.01 Favored Glycine 0 C--N 1.346 1.117 0 N-CA-C 112.451 -0.26 . . . . 73.230000000000004 112.451 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.27 79.97 8.6 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 107.609 -1.256 . . . . 74.040000000000006 107.609 173.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.0 mm -119.05 117.36 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 114.994 -1.003 . . . . 71.230000000000004 108.515 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -67.74 148.3 51.46 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 108.962 -0.755 . . . . 75.310000000000002 108.962 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -90.11 100.96 13.68 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.47 0.708 . . . . 65.420000000000002 109.442 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -85.83 115.7 23.63 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.293 -0.632 . . . . 53.200000000000003 109.293 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.19 135.12 38.49 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.828 0.451 . . . . 74.439999999999998 110.561 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.66 -157.19 23.35 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.622 -0.263 . . . . 60.25 112.638 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HG2' HG23 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -134.73 -21.07 1.73 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.428 1.091 . . . . 71.109999999999999 110.124 -177.782 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.9 t 69.39 29.89 4.31 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.127 1.371 . . . . 54.240000000000002 112.3 170.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.471 HG23 ' HG2' ' A' ' 96' ' ' GLU . 28.3 pt -84.86 164.99 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 122.494 0.317 . . . . 73.030000000000001 110.323 175.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 pp -140.8 150.49 43.4 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.463 0.705 . . . . 72.5 109.963 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--O 1.249 1.073 0 N-CA-C 108.533 -0.914 . . . . 72.010000000000005 108.533 167.505 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 112.071 -0.412 . . . . 61.229999999999997 112.071 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.59 39.77 0.02 OUTLIER Glycine 0 C--N 1.338 0.641 0 N-CA-C 110.745 -0.942 . . . . 62.240000000000002 110.745 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -59.64 150.21 67.69 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.478 1.111 . . . . 61.439999999999998 111.792 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.89 -28.19 66.82 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.687 2.258 . . . . 74.019999999999996 113.072 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.35 -40.29 85.95 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.22 1.008 . . . . 61.020000000000003 112.013 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.37 -33.71 69.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.907 0.883 . . . . 72.239999999999995 110.739 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.4 -42.23 92.82 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.519 -0.764 . . . . 73.409999999999997 111.09 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.52 -48.12 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.732 0.813 . . . . 74.340000000000003 110.612 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.64 68.52 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.347 0.659 . . . . 54.020000000000003 111.843 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -74.99 -37.61 61.82 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.165 0.986 . . . . 71.140000000000001 111.342 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.48 -29.78 66.4 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.489 0.315 . . . . 75.450000000000003 110.679 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.54 -34.68 70.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.542 0.737 . . . . 71.439999999999998 111.051 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -71.81 -39.55 69.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.185 0.594 . . . . 44.210000000000001 110.254 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.27 -27.74 60.88 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.257 -0.883 . . . . 74.219999999999999 111.101 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -58.45 -49.47 77.21 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.549 1.14 . . . . 72.010000000000005 111.184 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -30.9 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.826 . . . . 62.219999999999999 112.087 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -61.52 -43.59 98.59 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.099 0.56 . . . . 74.040000000000006 110.155 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.69 65.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.423 -0.808 . . . . 64.129999999999995 111.52 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.87 -41.66 78.07 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.007 0.923 . . . . 73.530000000000001 111.578 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.05 -27.72 61.06 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.506 -0.77 . . . . 74.120000000000005 111.013 -178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -85.75 -4.74 59.24 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.736 0.814 . . . . 55.310000000000002 111.096 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m120 65.19 21.44 12.11 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.095 1.358 . . . . 60.329999999999998 111.58 177.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.558 ' HB3' HD13 ' A' ' 26' ' ' LEU . 77.0 mt-30 -82.86 79.51 9.21 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.402 1.081 . . . . 74.109999999999999 108.66 175.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.77 -29.6 75.72 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.226 -0.897 . . . . 74.230000000000004 113.108 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.83 -44.66 82.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.222 1.009 . . . . 75.319999999999993 111.295 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 23' ' ' GLN . 6.4 mp -75.56 -28.04 58.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.708 0.803 . . . . 64.540000000000006 111.611 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.1 mtm -68.27 -37.61 80.9 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.171 0.589 . . . . 71.430000000000007 110.733 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.83 -40.98 89.39 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-N 115.529 -0.759 . . . . 73.010000000000005 111.273 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.23 -38.47 83.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.045 0.938 . . . . 64.430000000000007 110.568 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.29 58.04 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 122.925 0.49 . . . . 61.240000000000002 111.191 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.66 -33.18 75.08 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.844 0.715 . . . . 64.209999999999994 111.392 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -63.13 -49.0 76.14 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.384 0.674 . . . . 53.219999999999999 110.149 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.7 m-20 -66.99 -33.23 75.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.153 -0.931 . . . . 53.149999999999999 111.52 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.26 -43.76 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.318 0.647 . . . . 71.230000000000004 109.775 172.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.68 -36.86 93.86 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 124.027 0.829 . . . . 31.309999999999999 112.319 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.2 mt -62.1 -45.61 92.72 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.456 0.702 . . . . 73.340000000000003 109.801 174.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 8.8 mm-40 -65.34 -36.89 85.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.684 0.615 . . . . 40.009999999999998 111.797 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -63.44 -44.04 95.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.919 0.487 . . . . 71.120000000000005 110.212 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.59 -40.87 96.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.023 0.929 . . . . 73.310000000000002 110.123 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 74.0 mmtt -61.47 -39.74 91.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.754 0.822 . . . . 65.310000000000002 111.361 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -84.4 -3.57 58.4 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.483 -0.781 . . . . 63.450000000000003 111.704 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.39 7.23 86.81 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.724 -0.486 . . . . 62.140000000000001 113.829 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -84.89 66.2 9.58 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 107.551 -1.277 . . . . 74.030000000000001 107.551 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.593 HG11 ' HB2' ' A' ' 80' ' ' LYS . 47.6 t -74.11 -26.98 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 114.807 -1.088 . . . . 74.219999999999999 112.148 -167.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -68.89 -44.15 73.81 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.908 -0.405 . . . . 71.239999999999995 109.908 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.55 -28.66 67.16 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 123.804 0.69 . . . . 75.5 110.652 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.39 81.85 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.852 0.72 . . . . 60.039999999999999 110.515 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.57 -48.91 82.12 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 124.819 1.324 . . . . 55.219999999999999 111.256 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.19 -44.0 87.82 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.986 0.803 . . . . 74.439999999999998 110.679 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.35 -32.27 64.43 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.808 0.67 . . . . 75.510000000000005 112.808 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -69.49 -32.03 70.66 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 118.011 0.369 . . . . 75.400000000000006 110.786 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.9 -45.25 61.91 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 124.126 0.891 . . . . 71.099999999999994 109.513 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 57' ' ' VAL . 96.1 mtt180 -63.65 -43.57 96.39 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.12 0.887 . . . . 73.340000000000003 110.381 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.54 81.3 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 123.815 0.697 . . . . 60.520000000000003 111.197 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.81 1.318 . . . . 62.240000000000002 110.556 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.96 -41.88 98.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.592 1.157 . . . . 65.430000000000007 110.916 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 53' ' ' ARG . 41.1 t -73.85 -37.21 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.682 -0.69 . . . . 54.009999999999998 110.262 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -59.83 -36.91 77.79 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.353 0.661 . . . . 64.010000000000005 111.67 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.92 -39.22 93.18 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.126 0.57 . . . . 75.219999999999999 110.584 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.18 76.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.786 0.834 . . . . 75.010000000000005 110.968 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -76.04 -14.23 60.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.59 0.756 . . . . 74.319999999999993 111.578 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 67.41 21.17 9.77 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.891 1.276 . . . . 74.540000000000006 111.582 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.77 81.93 6.89 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.881 -1.155 . . . . 74.540000000000006 107.881 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.0 t -67.24 -29.91 69.67 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.349 -1.296 . . . . 73.329999999999998 111.229 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.85 -49.48 65.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.876 0.47 . . . . 74.219999999999999 110.438 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.61 -36.63 93.38 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.905 -0.589 . . . . 55.210000000000001 112.899 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -42.43 91.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.187 0.595 . . . . 42.109999999999999 112.384 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -65.55 -34.96 79.48 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.706 0.403 . . . . 75.450000000000003 110.762 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -70.37 -34.57 72.75 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.828 0.851 . . . . 70.129999999999995 110.411 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.02 73.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.393 0.677 . . . . 53.340000000000003 110.605 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -73.94 -26.27 60.41 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.189 0.931 . . . . 62.520000000000003 111.527 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -43.48 65.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.988 -0.745 . . . . 70.430000000000007 108.988 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 m -67.14 -30.23 70.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.586 0.754 . . . . 61.420000000000002 111.637 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 71' ' ' ALA . 16.3 mt -60.67 -45.37 94.42 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.436 0.695 . . . . 75.340000000000003 110.698 169.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m -56.88 -36.4 70.06 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.682 0.614 . . . . 75.150000000000006 111.616 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -70.47 -41.62 72.53 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.134 0.896 . . . . 73.200000000000003 110.78 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.15 82.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.441 0.696 . . . . 63.520000000000003 112.078 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -64.5 -23.5 67.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.19 0.596 . . . . 74.140000000000001 111.632 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.62 -44.0 96.82 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.023 0.529 . . . . 64.299999999999997 111.314 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.593 ' HB2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -79.81 -35.23 38.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.618 0.367 . . . . 62.420000000000002 111.118 -178.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.04 -51.25 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.719 0.808 . . . . 74.010000000000005 111.504 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -83.11 0.35 45.48 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.271 0.629 . . . . 62.439999999999998 110.853 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.65 80.38 0.06 OUTLIER Glycine 0 C--N 1.359 1.845 0 O-C-N 123.586 0.554 . . . . 54.420000000000002 113.155 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.1 p -97.71 67.06 1.98 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.13 0.972 . . . . 64.209999999999994 110.254 -176.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.77 -35.62 31.23 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 114.88 -1.054 . . . . 53.329999999999998 112.802 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -87.74 -44.26 11.28 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.92 0.488 . . . . 63.130000000000003 110.073 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 63.43 107.97 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.862 1.265 . . . . 75.450000000000003 110.994 -176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.71 116.76 9.74 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 119.533 -0.593 . . . . 34.0 112.393 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -59.85 103.83 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.393 0.677 . . . . 70.219999999999999 110.87 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.3 mp 50.52 56.16 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 CA-C-O 123.141 1.448 . . . . 71.340000000000003 108.867 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -78.71 126.33 30.59 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 114.005 -1.452 . . . . 75.439999999999998 108.022 171.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 69.4 113.04 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.737 1.215 . . . . 74.109999999999999 110.511 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -117.99 5.99 12.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.791 0.837 . . . . 74.019999999999996 110.094 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' HB3' ' HA ' ' A' ' 97' ' ' SER . 44.2 mt-10 76.34 -30.3 0.18 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.934 1.694 . . . . 74.340000000000003 112.422 -175.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.78 -86.78 0.45 Allowed Glycine 0 C--N 1.354 1.546 0 CA-C-N 117.698 0.227 . . . . 74.439999999999998 112.927 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.86 -32.72 59.85 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.68 0.792 . . . . 74.439999999999998 110.478 175.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' A' ' 94' ' ' GLU . 50.7 m 67.8 171.11 0.27 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.6 1.16 . . . . 74.25 111.951 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.1 mt -73.54 92.48 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 115.78 -0.645 . . . . 73.040000000000006 109.59 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.6 mp 62.5 82.97 0.16 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.773 1.229 . . . . 75.200000000000003 110.509 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 CA--C 1.554 1.123 0 CA-C-O 118.917 -0.563 . . . . 73.439999999999998 109.861 -178.72 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.824 -0.51 . . . . 73.109999999999999 111.824 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.88 44.81 0.02 OUTLIER Glycine 0 C--N 1.342 0.9 0 N-CA-C 112.325 -0.31 . . . . 71.0 112.325 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 73.6 m -69.03 134.51 89.65 Favored Pre-proline 0 N--CA 1.471 0.599 0 CA-C-O 118.667 -0.682 . . . . 74.239999999999995 110.268 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.446 ' O ' HG13 ' A' ' 8' ' ' ILE . 51.3 Cg_exo -54.76 -33.72 81.79 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.349 2.699 . . . . 62.43 114.481 -171.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -69.92 -37.56 75.98 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.505 0.722 . . . . 72.140000000000001 111.265 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -74.13 -27.11 60.7 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.972 -0.558 . . . . 73.340000000000003 109.978 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -72.37 -39.86 67.74 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.397 -0.82 . . . . 72.430000000000007 109.626 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG12 HG23 ' A' ' 34' ' ' ILE . 75.5 mt -57.76 -47.52 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.142 0.977 . . . . 62.140000000000001 109.898 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -59.62 -37.42 78.57 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 124.334 1.021 . . . . 55.450000000000003 111.324 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.24 -42.76 88.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.014 0.926 . . . . 71.230000000000004 110.968 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.41 -26.16 61.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.875 0.47 . . . . 74.120000000000005 110.724 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.19 -28.78 65.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.166 0.986 . . . . 63.520000000000003 111.576 176.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 87.6 mttt -68.45 -48.38 64.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.509 -0.552 . . . . 64.219999999999999 109.509 173.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.28 -27.94 68.32 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.832 -1.076 . . . . 71.049999999999997 111.417 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -70.32 -55.66 8.63 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.942 0.897 . . . . 75.540000000000006 110.784 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -77.13 -25.74 52.43 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.412 -0.813 . . . . 74.209999999999994 112.095 -173.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -70.81 -41.3 71.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.466 -0.568 . . . . 64.239999999999995 109.466 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.49 68.95 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.337 0.398 . . . . 14.4 111.004 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.49 -47.7 77.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.664 0.786 . . . . 53.439999999999998 109.625 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -60.62 -39.84 89.7 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 114.205 -1.361 . . . . 74.219999999999999 110.347 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.68 -9.64 59.28 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.27 0.628 . . . . 73.019999999999996 111.928 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 64.69 26.62 13.14 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.316 1.046 . . . . 62.549999999999997 111.451 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.589 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.9 mm-40 -84.13 91.71 7.74 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.39 1.476 . . . . 75.310000000000002 108.606 172.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.11 -52.28 50.96 Favored Glycine 0 C--N 1.342 0.889 0 O-C-N 123.253 0.345 . . . . 75.120000000000005 112.855 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.732 ' HG3' HD12 ' A' ' 26' ' ' LEU . 7.1 pt-20 -53.12 -40.63 64.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.459 1.103 . . . . 62.409999999999997 112.292 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 ' HG3' ' A' ' 25' ' ' GLU . 4.7 mp -69.08 -32.39 71.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.904 0.481 . . . . 74.310000000000002 111.831 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.3 mtm -67.36 -41.35 85.24 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 123.305 0.378 . . . . 63.509999999999998 110.725 172.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.99 -37.61 94.15 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 115.595 -0.73 . . . . 54.210000000000001 112.308 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 40.3 mtm180 -59.33 -47.45 85.35 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.203 0.601 . . . . 63.130000000000003 109.826 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.19 -46.71 85.32 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.665 1.228 . . . . 32.140000000000001 111.157 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 53' ' ' ARG . 70.4 mt -62.7 -42.55 99.7 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.88 0.738 . . . . 70.420000000000002 111.269 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.23 -43.84 98.23 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.041 0.937 . . . . 64.450000000000003 110.707 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -73.89 -39.17 64.09 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.716 0.807 . . . . 75.310000000000002 111.415 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 HG12 ' A' ' 8' ' ' ILE . 96.8 mt -63.16 -35.54 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.526 0.73 . . . . 74.400000000000006 109.659 172.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.11 99.07 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.301 -0.863 . . . . 71.400000000000006 112.019 172.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.25 -33.16 75.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.27 0.628 . . . . 73.030000000000001 110.945 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -68.35 -40.86 81.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.918 0.487 . . . . 71.109999999999999 110.841 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.08 -39.64 90.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.019 0.528 . . . . 71.140000000000001 110.319 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -64.68 -40.71 95.87 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.904 1.281 . . . . 74.25 111.06 -174.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.4 -21.67 58.06 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.917 0.487 . . . . 74.099999999999994 111.999 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.3 mtm -89.21 -2.07 58.34 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.053 0.541 . . . . 72.400000000000006 112.193 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 2.92 88.95 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-O 120.225 -0.209 . . . . 52.25 112.79 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -92.63 50.91 1.65 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.059 -1.089 . . . . 75.019999999999996 108.059 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 80' ' ' LYS . 21.7 t -71.19 -21.99 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 113.716 -1.584 . . . . 60.310000000000002 110.439 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.659 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 3.1 mptp? -62.59 -36.98 84.45 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.059 -1.428 . . . . 71.340000000000003 110.01 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.47 -38.92 39.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.923 0.889 . . . . 74.010000000000005 110.154 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.22 -40.11 70.46 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 124.377 1.071 . . . . 32.32 112.63 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.83 -52.91 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.446 1.091 . . . . 62.030000000000001 110.502 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.34 -36.6 80.61 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.128 0.892 . . . . 73.200000000000003 111.347 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -68.33 -38.71 81.79 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.144 0.577 . . . . 65.140000000000001 111.809 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.91 -28.6 62.56 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.825 0.45 . . . . 74.530000000000001 110.365 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.77 -45.04 68.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.603 0.761 . . . . 53.140000000000001 110.038 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . 81.0 mtp180 -64.55 -49.14 72.4 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.291 -0.868 . . . . 72.099999999999994 109.752 175.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.66 -49.48 72.79 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.456 1.098 . . . . 72.010000000000005 111.434 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.51 -36.59 84.7 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.176 0.922 . . . . 75.040000000000006 110.904 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -66.08 -39.6 90.17 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.664 0.603 . . . . 75.0 111.029 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 53' ' ' ARG . 93.0 t -69.3 -47.73 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.75 -0.659 . . . . 65.329999999999998 109.723 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -61.47 -29.51 70.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.799 0.84 . . . . 72.519999999999996 111.895 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -43.75 78.35 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.672 0.789 . . . . 73.329999999999998 110.082 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.54 80.32 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.869 -0.605 . . . . 73.310000000000002 111.517 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.5 -13.7 59.85 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.61 0.764 . . . . 60.539999999999999 111.077 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m80 60.09 29.72 19.26 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.349 1.059 . . . . 61.409999999999997 111.15 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.3 102.36 11.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.335 1.054 . . . . 71.200000000000003 108.361 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -65.17 -42.4 93.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.585 0.754 . . . . 70.319999999999993 112.668 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -65.59 -48.17 73.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.869 0.468 . . . . 73.209999999999994 111.762 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.53 85.98 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.649 0.593 . . . . 71.540000000000006 112.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.5 98.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.445 0.698 . . . . 75.120000000000005 111.657 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -68.71 -41.42 79.13 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.614 -0.721 . . . . 73.329999999999998 110.761 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -70.7 -31.23 68.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 111.636 0.235 . . . . 72.010000000000005 111.636 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.25 92.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.716 0.406 . . . . 72.109999999999999 110.007 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.14 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.562 0.745 . . . . 75.200000000000003 112.322 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.7 -40.11 56.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.974 0.51 . . . . 63.439999999999998 109.697 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.6 m -67.75 -30.58 70.08 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.262 -0.881 . . . . 64.430000000000007 110.419 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.85 -43.08 94.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.755 0.822 . . . . 70.299999999999997 111.137 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -57.55 -41.98 82.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.47 0.708 . . . . 72.150000000000006 110.543 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.35 -37.23 66.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.425 0.69 . . . . 72.409999999999997 110.884 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.39 96.08 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.812 0.845 . . . . 63.43 111.751 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -67.46 -24.61 65.64 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.103 0.961 . . . . 75.519999999999996 111.181 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -77.99 -30.81 50.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.923 0.489 . . . . 63.310000000000002 110.867 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HB2' HG11 ' A' ' 44' ' ' VAL . 60.7 mttm -78.89 -24.36 44.25 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.237 0.615 . . . . 70.030000000000001 111.141 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.96 -68.75 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 C-N-CA 123.888 0.875 . . . . 65.219999999999999 109.68 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.25 101.11 0.51 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 109.262 -0.644 . . . . 64.409999999999997 109.262 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 147.94 177.11 22.05 Favored Glycine 0 C--O 1.246 0.871 0 N-CA-C 110.765 -0.934 . . . . 50.439999999999998 110.765 -174.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.8 p -69.36 100.29 1.34 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.233 0.613 . . . . 72.340000000000003 110.007 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 145.22 46.45 0.04 OUTLIER Glycine 0 C--N 1.342 0.861 0 N-CA-C 111.324 -0.71 . . . . 71.200000000000003 111.324 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -160.58 97.7 1.21 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 122.887 0.475 . . . . 73.230000000000004 109.968 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -101.43 122.36 43.61 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.563 0.745 . . . . 72.200000000000003 109.123 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.49 44.98 3.43 Favored Glycine 0 C--N 1.342 0.89 0 C-N-CA 122.738 0.209 . . . . 43.310000000000002 112.816 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -99.12 79.24 2.32 Favored 'General case' 0 C--O 1.246 0.91 0 N-CA-C 108.506 -0.924 . . . . 70.230000000000004 108.506 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.85 118.32 31.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 107.636 -1.246 . . . . 54.329999999999998 107.636 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -65.84 164.6 14.52 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.892 0.477 . . . . 73.109999999999999 110.022 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.25 34.56 0.47 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 122.92 0.488 . . . . 73.209999999999994 111.802 -170.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 61.27 54.2 3.29 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 124.552 1.141 . . . . 63.140000000000001 109.374 -174.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.3 133.15 50.82 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 113.597 -1.638 . . . . 73.219999999999999 110.992 -174.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.62 18.89 50.65 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-O 119.558 -0.579 . . . . 73.140000000000001 113.028 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.44 160.03 33.46 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 117.539 0.669 . . . . 73.25 110.016 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.6 p -162.49 149.6 13.5 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.739 0.416 . . . . 44.409999999999997 110.574 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.8 pt -81.79 158.22 4.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 C-N-CA 123.479 0.712 . . . . 52.25 110.423 176.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.86 111.64 23.13 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 108.935 -0.765 . . . . 72.25 108.935 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 124.133 0.973 . . . . 52.43 109.544 -179.512 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 111.78 -0.528 . . . . 33.240000000000002 111.78 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.85 -41.54 0.55 Allowed Glycine 0 C--N 1.348 1.227 0 N-CA-C 111.807 -0.517 . . . . 71.439999999999998 111.807 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -77.08 140.76 66.55 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 123.593 0.757 . . . . 71.310000000000002 111.549 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.24 -31.7 91.47 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.14 2.56 . . . . 73.299999999999997 113.726 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.692 ' HA ' HD12 ' A' ' 8' ' ' ILE . 31.1 t70 -60.61 -33.38 72.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.926 0.89 . . . . 73.310000000000002 111.968 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.33 -39.57 74.67 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 72.400000000000006 110.602 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -63.43 -36.47 83.85 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.96 0.504 . . . . 54.100000000000001 110.652 175.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -60.04 -43.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.222 1.009 . . . . 73.040000000000006 111.339 177.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.24 71.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.045 0.538 . . . . 61.200000000000003 111.069 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.17 -41.6 76.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.454 0.701 . . . . 61.130000000000003 110.795 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -73.12 -26.98 61.43 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.895 0.478 . . . . 75.439999999999998 111.518 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.46 -33.56 60.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.164 0.585 . . . . 75.530000000000001 110.178 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -71.11 -36.13 72.05 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.089 0.556 . . . . 72.510000000000005 109.589 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.43 -31.35 65.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.706 0.802 . . . . 44.409999999999997 110.614 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -39.43 77.4 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.723 1.209 . . . . 74.120000000000005 110.743 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mmtm -66.92 -46.2 75.55 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.573 -0.739 . . . . 74.129999999999995 110.122 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 58.8 tptt -59.33 -44.95 92.55 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.1 0.875 . . . . 73.209999999999994 109.84 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.5 75.65 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.685 1.194 . . . . 64.099999999999994 111.792 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.72 -40.22 84.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.317 1.047 . . . . 74.400000000000006 110.137 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 65.1 mt-10 -64.62 -34.8 79.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.646 0.778 . . . . 44.409999999999997 110.996 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 82.4 mt -80.5 -11.73 59.63 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.544 0.737 . . . . 73.319999999999993 111.251 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.24 29.27 13.86 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.761 1.224 . . . . 74.420000000000002 110.142 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -105.41 94.13 5.05 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.225 1.01 . . . . 52.329999999999998 108.702 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.1 89.05 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.835 -1.075 . . . . 71.400000000000006 113.822 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.13 -33.64 69.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.132 0.573 . . . . 73.540000000000006 110.84 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.67 -37.59 62.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.73 0.812 . . . . 72.140000000000001 111.066 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.7 mtm -66.85 -54.85 18.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.228 0.611 . . . . 72.219999999999999 110.945 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.3 -38.09 94.08 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.424 -0.807 . . . . 62.25 112.275 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -63.57 -38.8 92.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.321 0.648 . . . . 61.119999999999997 110.3 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.19 88.9 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 123.704 0.802 . . . . 55.43 110.834 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 94.9 mt -64.25 -37.22 86.7 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.991 0.807 . . . . 63.520000000000003 110.78 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.7 t80 -62.83 -40.64 98.03 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.647 0.779 . . . . 75.540000000000006 109.918 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -64.01 -43.78 94.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.208 0.603 . . . . 73.120000000000005 111.167 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -38.17 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 52.229999999999997 110.28 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 -36.91 93.67 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 115.306 -0.861 . . . . 54.25 112.263 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 93.3 mt -69.14 -32.81 72.43 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.608 0.763 . . . . 73.439999999999998 110.878 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.57 -37.21 68.27 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.054 0.454 . . . . 75.239999999999995 110.892 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 6.1 mptp? -66.47 -39.62 88.9 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.456 0.702 . . . . 65.140000000000001 109.901 173.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -61.92 -44.74 96.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.475 1.11 . . . . 62.009999999999998 110.757 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.07 -17.68 61.39 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.731 0.412 . . . . 74.400000000000006 111.966 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.8 mtm -90.07 -6.04 55.92 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.129 0.572 . . . . 75.319999999999993 111.783 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 6.08 89.56 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 116.598 -0.274 . . . . 23.109999999999999 113.121 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -85.77 60.6 6.33 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.868 0.842 . . . . 62.399999999999999 109.021 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.6 -26.72 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.459 -1.246 . . . . 74.109999999999999 110.484 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -49.73 -55.88 12.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.705 1.202 . . . . 71.430000000000007 111.11 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 36.6 mt-10 -75.62 -37.34 59.83 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.744 -1.116 . . . . 72.239999999999995 111.113 -177.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.52 69.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.801 0.84 . . . . 72.209999999999994 110.877 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.455 HD11 HG21 ' A' ' 81' ' ' VAL . 79.0 mt -55.07 -51.21 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 124.563 1.164 . . . . 45.530000000000001 111.51 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.97 -43.86 73.86 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 124.072 0.858 . . . . 72.019999999999996 110.686 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 67.4 m-85 -69.23 -39.67 78.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.315 -0.857 . . . . 72.430000000000007 112.031 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -69.74 -28.66 65.98 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.413 0.446 . . . . 70.219999999999999 111.125 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.02 -45.93 54.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.429 0.691 . . . . 72.439999999999998 110.028 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 57' ' ' VAL . 99.0 mtt180 -67.9 -36.67 80.61 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.072 -0.967 . . . . 75.239999999999995 110.532 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.92 -50.81 69.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 72.409999999999997 110.398 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -59.13 -42.55 90.9 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 124.909 1.381 . . . . 73.219999999999999 110.788 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -57.87 -39.55 78.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.435 1.094 . . . . 64.299999999999997 110.877 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 53' ' ' ARG . 40.8 t -75.94 -37.12 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.521 -0.763 . . . . 45.109999999999999 110.629 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -65.58 -28.15 68.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.725 0.41 . . . . 74.530000000000001 111.074 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -67.86 -38.19 82.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.347 0.659 . . . . 71.299999999999997 110.29 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -32.4 67.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.033 0.933 . . . . 62.32 111.424 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -78.58 -13.99 59.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.062 0.945 . . . . 75.299999999999997 111.405 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.6 m170 67.54 20.07 9.81 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.969 1.307 . . . . 70.400000000000006 111.84 -175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -83.26 82.62 8.19 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 108.584 -0.895 . . . . 74.140000000000001 108.584 168.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -65.49 -27.65 68.64 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.35 -0.386 . . . . 63.340000000000003 110.452 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.96 -49.85 68.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.014 0.926 . . . . 75.540000000000006 110.489 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.47 Favored Glycine 0 C--N 1.347 1.177 0 CA-C-N 115.414 -0.812 . . . . 54.109999999999999 112.986 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.09 71.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.022 0.929 . . . . 22.199999999999999 111.269 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -72.37 -30.63 64.87 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.792 0.837 . . . . 75.129999999999995 110.331 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -66.05 -42.64 89.24 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.716 0.806 . . . . 74.129999999999995 110.349 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.68 87.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.746 -0.661 . . . . 55.409999999999997 110.478 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -69.67 -27.91 65.43 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.784 0.834 . . . . 73.510000000000005 111.643 176.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -70.81 -44.57 66.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.403 0.681 . . . . 71.120000000000005 110.172 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -61.53 -34.75 76.07 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.261 0.624 . . . . 74.540000000000006 110.951 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 71' ' ' ALA . 49.6 mt -64.47 -44.49 90.91 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.127 0.971 . . . . 75.340000000000003 111.211 171.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.4 t -61.29 -33.94 74.39 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.894 0.878 . . . . 60.399999999999999 111.336 -177.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.07 -38.31 57.21 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.608 0.763 . . . . 74.430000000000007 110.487 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.48 65.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.123 0.969 . . . . 74.510000000000005 112.281 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -60.49 -30.85 69.96 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.403 1.081 . . . . 74.340000000000003 112.655 -175.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -60.92 -42.11 97.46 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.607 0.763 . . . . 61.409999999999997 110.234 176.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -76.24 -28.35 57.1 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.585 1.154 . . . . 72.239999999999995 111.788 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.455 HG21 HD11 ' A' ' 48' ' ' ILE . 64.5 t -63.3 -34.95 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.58 0.752 . . . . 75.519999999999996 110.706 175.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -82.86 67.55 8.98 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.329 -0.85 . . . . 74.329999999999998 110.018 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.29 40.97 3.06 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.2 -0.455 . . . . 53.409999999999997 112.238 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.3 p -76.88 161.65 28.25 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.965 0.906 . . . . 61.340000000000003 111.117 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.21 -60.97 4.65 Favored Glycine 0 C--N 1.343 0.967 0 N-CA-C 110.894 -0.882 . . . . 74.319999999999993 110.894 -175.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.26 110.16 3.4 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.513 0.725 . . . . 73.299999999999997 109.131 171.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -82.24 112.71 19.49 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.133 -0.692 . . . . 63.109999999999999 109.133 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.49 127.02 10.34 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 110.962 -0.855 . . . . 62.340000000000003 110.962 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -75.38 110.58 9.85 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.276 0.63 . . . . 75.120000000000005 109.856 -177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.1 pt -77.71 7.23 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.208 1.003 . . . . 45.009999999999998 111.771 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -69.93 89.99 0.61 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.103 0.961 . . . . 74.239999999999995 109.57 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -113.66 17.93 17.86 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.843 1.257 . . . . 52.43 111.134 -175.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 65.56 83.57 0.17 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.401 1.08 . . . . 71.319999999999993 109.487 -174.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -76.6 80.98 3.26 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.45 0.7 . . . . 71.439999999999998 109.383 -178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.15 114.39 4.29 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.594 -0.73 . . . . 63.399999999999999 112.953 -175.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -117.4 25.42 10.46 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.231 1.012 . . . . 73.109999999999999 110.712 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.5 m -79.11 6.94 8.34 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.587 0.755 . . . . 53.310000000000002 112.752 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 37.8 pt -107.32 147.53 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.296 0.638 . . . . 70.349999999999994 110.831 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 pp -100.42 -7.03 24.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.068 0.947 . . . . 64.230000000000004 110.777 171.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 . . . . . 0 C--O 1.248 1.004 0 C-N-CA 124.122 0.969 . . . . 71.010000000000005 110.771 176.165 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.867 0 N-CA-C 111.642 -0.583 . . . . 70.010000000000005 111.642 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.7 -169.73 39.78 Favored Glycine 0 C--N 1.342 0.898 0 N-CA-C 111.665 -0.574 . . . . 73.409999999999997 111.665 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -60.03 137.06 90.93 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 118.451 -0.785 . . . . 72.129999999999995 110.015 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.458 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 54.3 Cg_exo -53.91 -42.82 63.49 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.926 2.417 . . . . 62.310000000000002 114.896 -173.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.8 m-20 -73.59 -24.41 60.06 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.655 0.382 . . . . 73.230000000000004 111.738 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.87 -39.38 72.92 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.569 0.748 . . . . 72.120000000000005 109.63 171.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -64.72 -35.58 81.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.514 0.725 . . . . 74.209999999999994 109.78 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 5' ' ' ASP . 96.0 mt -61.61 -46.26 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.198 0.999 . . . . 73.109999999999999 110.865 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.34 66.08 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.733 0.646 . . . . 71.140000000000001 111.192 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.48 -39.12 54.07 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.03 0.932 . . . . 72.430000000000007 110.937 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -65.78 -32.34 73.81 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.359 0.664 . . . . 41.530000000000001 111.081 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 15' ' ' TYR . 65.1 mt-10 -67.54 -28.04 67.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.681 0.792 . . . . 61.329999999999998 111.075 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.2 -48.07 74.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.0 0.52 . . . . 73.420000000000002 109.92 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.61 75.55 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.296 -0.865 . . . . 64.030000000000001 110.806 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.45 ' HB3' ' HA ' ' A' ' 12' ' ' GLU . 46.9 t80 -69.83 -40.75 75.68 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.194 0.998 . . . . 74.040000000000006 112.098 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.3 mmmm -72.48 -30.35 64.46 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 117.616 0.189 . . . . 64.549999999999997 110.541 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -32.24 64.08 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 109.087 -0.709 . . . . 74.109999999999999 109.087 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.24 80.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.833 0.853 . . . . 65.129999999999995 110.796 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.1 -37.37 58.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.928 1.291 . . . . 71.420000000000002 111.639 -171.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.18 -33.64 76.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.974 0.416 . . . . 61.149999999999999 110.625 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -89.51 -11.19 43.62 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.732 0.813 . . . . 72.409999999999997 110.818 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.7 t30 66.42 22.04 10.78 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.007 1.723 . . . . 61.399999999999999 111.959 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' ' 26' ' ' LEU . 78.6 mt-30 -79.98 99.36 7.59 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 109.192 -0.67 . . . . 62.32 109.192 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.91 -27.17 73.27 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 114.773 -1.103 . . . . 65.409999999999997 114.199 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.61 -37.97 74.15 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.693 0.397 . . . . 73.510000000000005 110.206 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 23' ' ' GLN . 90.3 mt -75.42 -48.05 24.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.456 1.102 . . . . 73.219999999999999 110.859 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 46.4 mtm -64.37 -38.12 89.92 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.753 0.658 . . . . 72.400000000000006 112.043 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.14 97.95 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.915 0.76 . . . . 74.25 111.906 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.81 -41.23 99.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.488 0.715 . . . . 74.239999999999995 110.409 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.1 -52.32 63.12 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.547 0.739 . . . . 34.140000000000001 111.152 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 85.3 mt -66.07 -31.34 72.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 63.200000000000003 111.143 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.7 -46.94 83.19 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.749 0.819 . . . . 72.409999999999997 110.119 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 55.4 m-80 -70.25 -34.67 73.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.945 0.498 . . . . 70.510000000000005 111.989 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.68 -43.57 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 109.017 -0.735 . . . . 72.230000000000004 109.017 173.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.48 -45.62 95.25 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 114.843 -1.071 . . . . 43.119999999999997 112.321 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.54 -36.31 73.66 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.817 0.847 . . . . 75.439999999999998 111.782 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 20.4 mm-40 -65.21 -48.52 73.1 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.694 0.621 . . . . 54.539999999999999 110.439 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 3.3 mptp? -60.5 -40.96 93.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.733 0.413 . . . . 71.230000000000004 110.873 175.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.99 -45.87 90.34 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.443 1.097 . . . . 62.340000000000003 111.254 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 60.4 pttt -74.45 -25.67 59.56 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.681 -0.69 . . . . 71.109999999999999 111.376 -178.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.467 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 76.3 mtm -76.74 -17.68 58.93 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.018 0.527 . . . . 62.200000000000003 111.983 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.86 65.43 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.095 -0.402 . . . . 35.299999999999997 112.095 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 85.5 mttt -88.37 52.14 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.207 1.003 . . . . 51.109999999999999 108.391 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.1 -23.83 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 114.245 -1.343 . . . . 75.409999999999997 111.706 -164.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -55.5 -50.73 69.16 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.386 0.674 . . . . 73.439999999999998 110.773 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 2.5 mp0 -67.0 -37.28 83.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.848 -0.614 . . . . 75.329999999999998 110.751 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.9 76.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.057 0.943 . . . . 74.030000000000001 111.487 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 81' ' ' VAL . 85.3 mt -52.47 -50.57 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 125.086 1.491 . . . . 74.349999999999994 110.919 176.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 52' ' ' LEU . 42.5 mt-10 -60.16 -38.36 82.92 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.287 0.992 . . . . 70.219999999999999 111.15 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 50.1 m-85 -73.91 -34.03 64.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.327 0.651 . . . . 63.509999999999998 112.541 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.24 -28.71 65.47 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 110.137 -0.319 . . . . 73.349999999999994 110.137 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 49' ' ' GLU . 83.4 mt -69.57 -43.95 71.83 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.491 0.717 . . . . 71.150000000000006 109.752 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 57' ' ' VAL . 86.7 mtt180 -60.96 -51.39 69.45 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.953 0.783 . . . . 63.299999999999997 109.321 174.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.31 76.94 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.569 1.168 . . . . 65.510000000000005 111.292 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -62.48 -41.7 98.98 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.31 1.006 . . . . 73.340000000000003 111.026 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -63.19 -42.32 99.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.76 0.824 . . . . 54.530000000000001 111.373 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 53' ' ' ARG . 96.0 t -72.0 -35.3 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.019 0.528 . . . . 63.520000000000003 110.056 -175.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -69.15 -36.11 77.07 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.125 0.57 . . . . 74.120000000000005 110.401 171.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.4 -41.68 98.75 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.199 0.6 . . . . 72.439999999999998 110.278 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.8 81.75 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.949 -1.023 . . . . 60.119999999999997 111.096 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -86.2 -1.95 57.92 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.621 0.768 . . . . 72.329999999999998 112.245 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 58.79 25.94 14.12 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.348 1.059 . . . . 73.010000000000005 111.737 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -80.47 90.92 5.68 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 107.795 -1.187 . . . . 34.210000000000001 107.795 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 9.8 t -59.54 -41.17 89.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.649 -1.16 . . . . 71.040000000000006 111.274 -174.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.86 -58.48 7.69 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.697 0.799 . . . . 74.209999999999994 110.986 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.15 -30.91 76.3 Favored Glycine 0 C--N 1.343 0.918 0 O-C-N 124.193 0.933 . . . . 73.439999999999998 113.611 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.78 93.14 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.349 0.575 . . . . 61.130000000000003 110.628 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' A' ' 64' ' ' THR . 9.4 mpt_? -74.31 -32.28 62.8 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.543 -0.753 . . . . 75.450000000000003 110.619 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 -75.17 -33.56 61.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.964 0.905 . . . . 70.120000000000005 111.35 -176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.22 73.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.886 0.474 . . . . 43.210000000000001 110.034 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.79 -27.82 62.22 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.896 0.748 . . . . 45.43 111.361 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -67.96 -48.23 66.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.476 0.71 . . . . 53.039999999999999 109.577 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.3 t -67.29 -29.93 69.65 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.23 -0.895 . . . . 62.119999999999997 110.432 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.85 -43.51 98.24 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.713 0.805 . . . . 72.030000000000001 111.588 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 49.1 m -61.54 -44.3 97.29 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.486 0.315 . . . . 72.120000000000005 110.289 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.32 -31.14 72.21 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.085 0.866 . . . . 73.340000000000003 111.03 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.66 -45.75 61.04 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.891 0.876 . . . . 74.010000000000005 111.449 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.46 -23.76 65.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.176 0.591 . . . . 73.310000000000002 111.699 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 75' ' ' SER . 97.0 mt-30 -60.45 -38.94 85.79 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.407 0.623 . . . . 61.210000000000001 110.917 172.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -80.73 -32.62 35.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.015 -0.993 . . . . 71.430000000000007 110.856 -173.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 48' ' ' ILE . 88.8 t -78.99 -59.76 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.755 0.822 . . . . 61.439999999999998 110.768 -178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.36 142.05 56.89 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.585 0.553 . . . . 75.420000000000002 110.607 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.82 65.42 3.93 Favored Glycine 0 C--N 1.345 1.033 0 O-C-N 123.578 0.549 . . . . 75.420000000000002 111.951 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.7 m -82.97 96.88 8.45 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.367 -0.975 . . . . 71.409999999999997 108.367 177.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.81 156.86 21.58 Favored Glycine 0 C--N 1.347 1.158 0 N-CA-C 111.739 -0.545 . . . . 40.340000000000003 111.739 -171.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -67.23 111.54 4.02 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.562 -0.532 . . . . 63.450000000000003 109.562 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -114.38 129.54 56.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.944 0.897 . . . . 72.040000000000006 108.917 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -86.0 58.47 4.77 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-O 120.108 -0.273 . . . . 74.310000000000002 112.603 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.63 104.57 2.42 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 121.704 0.764 . . . . 52.219999999999999 109.079 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.439 ' H ' HG12 ' A' ' 90' ' ' ILE . 8.1 pt -81.0 120.87 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 114.641 -1.163 . . . . 71.439999999999998 111.258 -170.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -110.3 135.56 50.85 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.7 1.2 . . . . 75.510000000000005 109.658 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 58.78 21.75 9.32 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 124.918 1.287 . . . . 60.149999999999999 111.39 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -155.38 111.06 3.08 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 106.332 -1.729 . . . . 65.219999999999999 106.332 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -82.17 -12.09 58.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.794 0.437 . . . . 71.420000000000002 110.821 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.14 139.83 4.3 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 123.487 0.492 . . . . 72.25 112.655 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -71.56 123.59 22.8 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.296 -1.002 . . . . 73.439999999999998 108.296 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.8 m -64.05 93.98 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.439 0.695 . . . . 63.340000000000003 111.034 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 45.1 pt -120.58 159.38 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.866 0.866 . . . . 73.040000000000006 109.467 176.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mp 65.4 90.97 0.09 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.441 1.096 . . . . 73.319999999999993 110.194 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.092 0 C-N-CA 123.513 0.725 . . . . 72.349999999999994 109.355 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 120.072 -0.293 . . . . 53.240000000000002 112.54 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.58 -161.12 51.23 Favored Glycine 0 C--N 1.345 1.063 0 CA-C-N 116.608 0.204 . . . . 62.329999999999998 112.704 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p -79.58 160.33 70.01 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.298 0.639 . . . . 52.32 110.393 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.06 -32.1 85.21 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 122.333 2.022 . . . . 73.329999999999998 111.983 169.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.89 -38.75 86.87 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.237 1.015 . . . . 74.420000000000002 111.06 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.05 -38.7 89.02 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.752 -0.832 . . . . 62.32 108.752 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -62.13 -44.24 97.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.299 1.04 . . . . 62.149999999999999 111.159 175.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 34' ' ' ILE . 71.1 mt -53.22 -49.64 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.884 0.874 . . . . 74.040000000000006 111.054 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.4 73.91 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.971 0.794 . . . . 72.010000000000005 111.569 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -69.95 -40.25 75.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.799 0.84 . . . . 73.230000000000004 110.781 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -76.12 -25.67 55.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.104 0.961 . . . . 72.329999999999998 110.607 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 tm-20 -74.4 -38.48 63.09 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.627 -0.879 . . . . 74.040000000000006 108.627 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -64.34 -45.38 88.08 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.464 -0.939 . . . . 64.409999999999997 108.464 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.89 70.06 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.566 0.746 . . . . 52.200000000000003 110.954 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -68.99 -42.93 75.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 55.350000000000001 110.441 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.8 mmmt -68.43 -35.86 78.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.658 0.598 . . . . 60.119999999999997 111.193 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -67.68 -43.68 79.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 50.530000000000001 109.943 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.83 72.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.321 -1.309 . . . . 63.32 111.32 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.72 -31.03 63.19 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.202 1.401 . . . . 74.140000000000001 110.774 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 15.8 mm-40 -68.56 -38.43 80.74 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.3 0.64 . . . . 71.340000000000003 110.465 173.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.78 -14.64 57.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.175 -0.92 . . . . 75.140000000000001 110.82 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 60.47 22.21 11.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.299 1.44 . . . . 53.299999999999997 112.078 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -84.72 110.69 18.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.302 0.641 . . . . 72.540000000000006 110.288 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.6 -26.6 69.91 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 124.164 0.915 . . . . 74.129999999999995 114.028 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' HA ' ' HE1' ' A' ' 58' ' ' PHE . 21.6 tt0 -59.1 -53.82 54.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.606 0.763 . . . . 71.030000000000001 109.786 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.62 -43.73 75.75 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.931 -1.031 . . . . 74.129999999999995 111.391 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.4 mtm -68.31 -42.3 79.61 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.892 0.477 . . . . 72.0 111.607 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.51 93.42 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-N 115.596 -0.729 . . . . 44.009999999999998 112.006 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.6 -36.21 80.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.224 0.609 . . . . 71.340000000000003 111.407 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.03 71.1 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.277 0.631 . . . . 52.140000000000001 110.921 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.76 -33.56 76.15 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.045 0.841 . . . . 73.099999999999994 110.896 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.31 -47.6 78.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.881 0.872 . . . . 72.140000000000001 110.462 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 33.2 m-80 -66.33 -40.91 90.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.336 0.654 . . . . 73.439999999999998 111.473 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 8' ' ' ILE . 91.6 mt -58.3 -41.08 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 123.779 0.674 . . . . 64.519999999999996 110.178 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.93 -39.51 98.14 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.284 -0.871 . . . . 70.510000000000005 112.722 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -39.94 96.1 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.534 0.734 . . . . 62.049999999999997 111.021 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 16.8 mm-40 -70.11 -38.0 75.49 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.605 -0.725 . . . . 54.229999999999997 110.809 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' HD13 ' A' ' 8' ' ' ILE . 71.2 mmtt -62.13 -44.42 96.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.978 0.418 . . . . 63.329999999999998 110.188 172.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -67.95 -35.67 78.8 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.128 -0.942 . . . . 64.540000000000006 111.262 -170.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.9 -25.16 59.87 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.249 0.343 . . . . 53.399999999999999 111.069 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 77.8 mtm -86.28 3.37 43.53 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.425 0.69 . . . . 73.099999999999994 112.052 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.34 2.14 90.36 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.025 0.203 . . . . 74.120000000000005 113.318 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -88.91 53.42 2.69 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.466 1.106 . . . . 71.209999999999994 108.735 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.83 -23.72 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 114.464 -1.243 . . . . 62.25 110.15 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.701 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 2.8 mptp? -63.99 -42.84 97.08 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.429 1.092 . . . . 72.349999999999994 109.737 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.52 -40.07 61.98 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.87 -1.059 . . . . 55.109999999999999 110.152 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.93 79.66 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.319 1.048 . . . . 53.329999999999998 111.959 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -53.57 -50.69 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 124.603 1.189 . . . . 61.409999999999997 110.441 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.88 -38.62 91.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.82 0.7 . . . . 75.340000000000003 110.813 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.78 -37.19 86.78 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.13 0.572 . . . . 73.230000000000004 112.334 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -76.03 -28.47 57.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.769 0.427 . . . . 73.239999999999995 110.476 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 mt -68.11 -41.7 81.35 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.466 -0.568 . . . . 75.340000000000003 109.466 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 57' ' ' VAL . 73.4 mtt180 -75.26 -39.12 60.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.159 0.984 . . . . 71.010000000000005 110.326 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.86 75.49 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.742 0.651 . . . . 63.350000000000001 109.993 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 70' ' ' ALA . 54.7 tttp -59.68 -45.77 91.06 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.433 1.083 . . . . 72.129999999999995 110.084 175.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.85 -39.27 71.22 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.562 1.163 . . . . 73.209999999999994 112.134 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 53' ' ' ARG . 49.6 t -64.02 -55.99 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 109.211 -0.663 . . . . 75.310000000000002 109.211 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HE1' ' HA ' ' A' ' 25' ' ' GLU . 61.3 m-85 -63.15 -30.45 71.6 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.398 0.679 . . . . 73.430000000000007 112.205 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.34 -36.57 58.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.072 0.949 . . . . 75.150000000000006 109.444 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.28 -30.54 57.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.451 -0.795 . . . . 72.129999999999995 111.026 175.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 16.9 mm-40 -78.23 -14.11 59.58 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.142 0.577 . . . . 61.109999999999999 110.578 172.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.8 m80 62.36 30.04 17.34 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.011 1.324 . . . . 75.010000000000005 111.991 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.58 93.99 6.82 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.065 -1.457 . . . . 62.229999999999997 107.065 164.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 5.8 t -63.99 -36.96 85.69 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.945 -1.025 . . . . 75.310000000000002 111.766 -172.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 15.3 m-20 -66.17 -41.59 90.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.139 0.576 . . . . 64.219999999999999 111.08 -176.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.39 -40.23 87.07 Favored Glycine 0 C--N 1.344 0.976 0 O-C-N 123.772 0.67 . . . . 54.039999999999999 112.471 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.84 79.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.965 -0.618 . . . . 54.049999999999997 110.432 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 64' ' ' THR . 79.7 mtp180 -70.91 -32.42 69.36 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.084 0.954 . . . . 74.519999999999996 111.707 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 68.6 mtt-85 -57.25 -54.03 51.44 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 109.213 -0.662 . . . . 75.239999999999995 109.213 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 55' ' ' LYS . . . -75.98 -33.82 59.75 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.061 -1.427 . . . . 72.099999999999994 111.954 -174.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -35.99 63.5 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 122.759 0.424 . . . . 74.109999999999999 111.352 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -65.26 -45.73 83.37 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.224 -0.658 . . . . 34.109999999999999 109.224 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 t -66.01 -28.39 68.84 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.648 -1.16 . . . . 72.299999999999997 110.871 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.55 -47.19 56.65 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 71.329999999999998 110.806 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -57.4 -45.49 84.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.632 0.773 . . . . 72.310000000000002 110.878 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.46 -28.28 60.96 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.444 -0.798 . . . . 73.450000000000003 111.349 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.47 74.2 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.454 0.701 . . . . 74.329999999999998 110.926 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.412 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 41.9 m-85 -62.92 -39.1 93.53 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.07 0.548 . . . . 63.240000000000002 110.059 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.88 -29.61 67.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.526 0.73 . . . . 75.129999999999995 111.9 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.77 -29.04 50.72 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.509 0.723 . . . . 72.329999999999998 111.346 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.6 -18.03 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 C-N-CA 124.216 1.006 . . . . 73.329999999999998 111.649 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 53.2 mt-10 -75.33 104.11 5.76 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.967 0.507 . . . . 74.120000000000005 110.145 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.64 162.11 30.17 Favored Glycine 0 C--O 1.244 0.731 0 CA-C-N 115.278 -0.873 . . . . 71.219999999999999 111.034 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.1 m -57.2 108.33 0.52 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.909 0.884 . . . . 64.109999999999999 112.151 -173.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.2 -42.2 1.23 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 111.223 -0.751 . . . . 63.200000000000003 111.223 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -119.76 109.22 15.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.726 0.81 . . . . 64.310000000000002 110.551 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -109.4 -37.55 5.71 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.402 1.081 . . . . 73.319999999999993 109.508 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.42 -178.37 42.92 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 115.837 -0.619 . . . . 64.120000000000005 113.196 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -97.96 111.83 23.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.851 0.86 . . . . 62.409999999999997 109.921 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mp -89.21 108.79 19.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.51 0.724 . . . . 54.25 109.336 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -106.67 116.52 32.07 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.154 0.981 . . . . 74.409999999999997 108.883 176.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -155.95 93.85 1.48 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.715 0.806 . . . . 74.549999999999997 108.923 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -81.37 153.42 27.0 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.827 -0.624 . . . . 75.030000000000001 111.243 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -75.72 124.14 26.77 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.845 -0.798 . . . . 73.299999999999997 108.845 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.23 65.22 0.23 Allowed Glycine 0 C--N 1.334 0.437 0 N-CA-C 111.385 -0.686 . . . . 64.219999999999999 111.385 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.74 148.56 25.37 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.117 0.967 . . . . 64.230000000000004 109.618 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 m -65.26 102.22 0.64 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.33 0.652 . . . . 75.200000000000003 110.595 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.4 tt -68.25 121.53 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 123.766 0.666 . . . . 61.450000000000003 109.445 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 pp -76.94 142.36 40.09 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.344 -0.613 . . . . 53.450000000000003 109.344 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 108.954 -0.758 . . . . 71.140000000000001 108.954 177.773 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.994 0 N-CA-C 112.247 -0.341 . . . . 71.120000000000005 112.247 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.83 -138.58 10.25 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 111.474 -0.65 . . . . 40.350000000000001 111.474 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.586 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 16.2 m -65.56 154.03 89.13 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 118.042 -0.98 . . . . 64.510000000000005 109.695 173.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.492 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo -51.11 -37.28 57.71 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.438 2.092 . . . . 71.319999999999993 112.764 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 8' ' ' ILE . 37.5 t70 -67.26 -38.1 84.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.737 0.815 . . . . 74.319999999999993 111.757 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HG2' ' HB2' ' A' ' 3' ' ' SER . 20.9 mm-40 -69.58 -36.14 76.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.761 0.424 . . . . 62.130000000000003 110.706 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -66.56 -36.04 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.037 0.935 . . . . 61.420000000000002 110.638 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.5 mt -53.04 -47.06 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.626 0.771 . . . . 73.209999999999994 110.365 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.8 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.357 1.036 . . . . 60.5 112.255 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -69.46 -45.24 69.53 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.666 0.386 . . . . 74.549999999999997 110.382 175.229 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -70.41 -25.59 63.3 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.561 0.744 . . . . 61.450000000000003 110.898 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.68 -42.33 74.28 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.244 1.018 . . . . 72.430000000000007 108.999 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.87 -37.6 84.73 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.072 -0.513 . . . . 74.329999999999998 110.354 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.96 67.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.855 -0.611 . . . . 71.329999999999998 111.363 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -67.78 -47.17 69.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.943 0.897 . . . . 75.510000000000005 109.884 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 29.0 mmmt -64.39 -43.02 95.78 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.35 1.032 . . . . 75.099999999999994 111.265 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HE3' HD11 ' A' ' 21' ' ' LEU . 54.6 tptt -57.74 -45.72 85.44 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.158 0.911 . . . . 71.420000000000002 110.434 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.64 96.49 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.355 -0.839 . . . . 62.0 111.517 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 2.4 tm-20 -64.91 -40.98 95.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.998 0.919 . . . . 74.030000000000001 110.296 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 25.6 mm-40 -68.31 -29.41 68.17 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.635 -0.711 . . . . 74.200000000000003 111.155 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD11 ' HE3' ' A' ' 17' ' ' LYS . 94.0 mt -87.2 -9.1 56.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.501 0.72 . . . . 70.319999999999993 112.149 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.37 27.53 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.988 1.315 . . . . 75.120000000000005 111.942 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -85.77 98.0 10.49 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.503 0.721 . . . . 72.349999999999994 109.981 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.48 -46.96 86.88 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 124.122 0.889 . . . . 54.310000000000002 112.338 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.45 ' HG3' HD12 ' A' ' 26' ' ' LEU . 6.7 pt-20 -52.62 -51.66 58.99 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.608 0.763 . . . . 73.409999999999997 111.764 -174.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.45 HD12 ' HG3' ' A' ' 25' ' ' GLU . 1.4 mp -71.37 -27.65 63.49 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.793 0.437 . . . . 60.399999999999999 111.886 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.41 ' SD ' ' HG2' ' A' ' 19' ' ' GLU . 39.0 mtm -69.33 -44.59 71.36 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.23 0.331 . . . . 65.5 110.592 176.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.87 99.6 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.805 0.69 . . . . 52.340000000000003 111.509 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.86 -45.01 96.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 74.129999999999995 110.322 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.46 -51.88 67.97 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.886 0.875 . . . . 54.130000000000003 111.547 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.0 mt -64.41 -34.69 78.76 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.974 0.796 . . . . 35.409999999999997 111.332 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 43.3 t80 -63.0 -49.8 73.23 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 123.748 0.655 . . . . 63.409999999999997 109.913 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 68.4 m-80 -65.88 -39.23 90.48 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.798 0.686 . . . . 65.439999999999998 111.185 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 8' ' ' ILE . 75.2 mt -60.1 -46.84 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 75.420000000000002 109.865 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.35 94.07 Favored Glycine 0 C--N 1.348 1.216 0 O-C-N 124.369 1.043 . . . . 71.140000000000001 112.062 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.3 mt -60.99 -43.62 98.58 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.046 0.538 . . . . 65.099999999999994 110.315 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 14.0 mm-40 -72.43 -28.07 62.73 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.826 0.704 . . . . 73.430000000000007 112.165 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HE3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 mptp? -62.94 -48.02 80.69 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.067 -0.716 . . . . 75.299999999999997 109.067 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.15 -29.04 70.19 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.424 -1.262 . . . . 33.119999999999997 110.964 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 34.5 mmtp -66.21 -40.0 90.05 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.659 0.784 . . . . 71.209999999999994 110.733 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.8 mtm -81.23 -2.04 47.22 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.223 -0.899 . . . . 71.010000000000005 111.285 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.5 4.36 90.08 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 119.823 -0.432 . . . . 74.129999999999995 112.656 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -83.23 68.38 9.6 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 122.319 1.056 . . . . 75.209999999999994 109.165 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.58 -25.76 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 113.882 -1.508 . . . . 74.349999999999994 111.492 -169.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -40.02 80.64 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.037 0.535 . . . . 73.430000000000007 110.278 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.99 -41.9 77.21 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.67 0.606 . . . . 71.030000000000001 109.681 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.36 69.62 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.365 1.041 . . . . 72.430000000000007 111.154 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.8 mt -52.05 -52.05 26.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.946 1.298 . . . . 71.450000000000003 110.821 174.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.06 -41.88 88.98 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.921 0.763 . . . . 73.450000000000003 111.857 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 63.7 m-85 -71.55 -34.19 69.79 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.793 -0.64 . . . . 75.329999999999998 111.656 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.39 -28.43 62.01 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.392 0.433 . . . . 62.5 110.345 176.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.34 -50.09 55.74 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.17 -0.678 . . . . 74.109999999999999 109.17 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 57' ' ' VAL . 79.1 mtp180 -63.14 -48.88 76.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.684 -1.144 . . . . 75.239999999999995 110.365 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.03 75.49 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.141 0.977 . . . . 65.510000000000005 111.536 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.05 -46.47 82.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.57 1.169 . . . . 63.009999999999998 110.725 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -65.43 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.348 1.03 . . . . 73.109999999999999 111.036 -177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' ARG . 85.7 t -72.18 -36.71 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.907 0.483 . . . . 64.200000000000003 110.212 174.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.77 -30.47 69.92 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.605 0.362 . . . . 64.230000000000004 110.726 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -70.16 -34.42 72.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.207 0.603 . . . . 72.230000000000004 110.179 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.03 72.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.36 0.664 . . . . 73.340000000000003 110.681 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -78.98 -14.57 59.12 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.314 0.646 . . . . 73.409999999999997 111.163 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.7 m80 64.69 21.09 12.33 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.199 1.4 . . . . 74.400000000000006 111.839 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.91 102.64 11.81 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.629 1.172 . . . . 73.120000000000005 109.212 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -68.27 -38.99 82.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.039 0.536 . . . . 53.009999999999998 111.804 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.93 -50.18 74.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.661 0.784 . . . . 64.329999999999998 111.077 -175.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.17 83.11 Favored Glycine 0 C--N 1.346 1.115 0 O-C-N 124.117 0.886 . . . . 71.120000000000005 112.985 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.89 90.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.64 0.376 . . . . 64.109999999999999 111.035 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -69.59 -31.06 68.98 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.606 0.762 . . . . 71.120000000000005 111.0 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -74.28 -37.49 63.67 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.564 0.746 . . . . 71.510000000000005 110.508 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.68 61.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.355 0.662 . . . . 13.31 110.469 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.38 64.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.591 0.756 . . . . 61.329999999999998 111.193 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.44 -44.87 61.79 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.967 0.507 . . . . 74.310000000000002 109.959 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.1 m -63.47 -29.56 70.82 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.476 -0.784 . . . . 73.219999999999999 110.654 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.34 -45.54 79.88 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.663 0.785 . . . . 71.219999999999999 111.019 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -58.34 -49.87 75.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.976 0.51 . . . . 75.409999999999997 110.179 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -61.79 -36.29 80.67 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.789 0.836 . . . . 74.519999999999996 111.69 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.35 79.57 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.128 0.571 . . . . 72.129999999999995 111.18 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -65.4 -30.67 71.5 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.571 0.349 . . . . 72.099999999999994 111.276 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -68.61 -30.06 68.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.59 0.756 . . . . 75.299999999999997 111.36 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.19 -26.65 33.18 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.548 0.739 . . . . 61.539999999999999 111.583 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.5 -45.29 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.77 0.828 . . . . 63.240000000000002 109.548 171.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -82.64 159.96 22.56 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.851 -1.068 . . . . 43.100000000000001 110.032 -174.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -77.74 68.7 2.73 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.222 0.439 . . . . 64.120000000000005 112.686 176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.8 p -135.19 10.76 3.54 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.95 0.9 . . . . 62.299999999999997 111.441 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.16 -63.08 3.59 Favored Glycine 0 C--N 1.342 0.904 0 N-CA-C 111.844 -0.503 . . . . 33.229999999999997 111.844 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -159.88 110.47 1.91 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.794 0.838 . . . . 63.299999999999997 108.863 175.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -87.13 99.5 11.97 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.785 -0.82 . . . . 72.219999999999999 108.785 172.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 171.12 -150.9 14.46 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 116.465 -0.334 . . . . 72.5 112.437 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HD2' ' HG3' ' A' ' 92' ' ' GLN . 20.2 pttm -116.71 127.13 54.1 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.005 0.922 . . . . 74.239999999999995 109.814 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.2 mm -108.55 125.22 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 124.178 0.991 . . . . 61.240000000000002 109.824 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 77.0 t80 56.71 85.67 0.08 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.281 1.432 . . . . 75.519999999999996 111.111 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.442 ' HG3' ' HD2' ' A' ' 89' ' ' LYS . 31.5 mm-40 -101.67 171.67 7.41 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.111 0.565 . . . . 63.130000000000003 110.521 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -92.08 95.64 9.88 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.32 1.048 . . . . 70.140000000000001 110.17 -169.569 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.27 157.19 32.79 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 114.64 -1.164 . . . . 74.239999999999995 110.436 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.61 77.78 1.4 Allowed Glycine 0 C--N 1.35 1.308 0 N-CA-C 111.296 -0.722 . . . . 73.140000000000001 111.296 172.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -83.21 136.8 34.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.305 0.642 . . . . 54.200000000000003 110.361 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.1 p -156.07 65.99 0.58 Allowed 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.928 -0.767 . . . . 70.120000000000005 108.928 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.2 pt -79.09 142.62 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 115.717 -0.674 . . . . 70.140000000000001 110.219 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -146.88 164.75 31.9 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.756 1.222 . . . . 75.319999999999993 108.56 -176.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--O 1.252 1.194 0 N-CA-C 108.758 -0.83 . . . . 63.030000000000001 108.758 -175.877 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 CA-C-O 119.784 -0.453 . . . . 74.329999999999998 112.07 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.03 -149.85 16.34 Favored Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.631 -0.588 . . . . 53.329999999999998 111.631 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -72.47 149.68 91.21 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 122.622 0.369 . . . . 70.230000000000004 110.821 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -54.75 -32.68 77.42 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.814 2.342 . . . . 75.439999999999998 112.665 170.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.08 -45.03 96.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.369 1.068 . . . . 73.209999999999994 110.747 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.45 -32.87 68.83 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.099 -0.955 . . . . 61.299999999999997 110.521 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.83 -36.17 79.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.005 0.522 . . . . 63.329999999999998 109.913 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.29 -44.39 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.358 1.063 . . . . 62.140000000000001 110.639 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.77 68.84 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.755 0.822 . . . . 64.230000000000004 112.13 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.5 -42.97 86.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.03 0.532 . . . . 63.140000000000001 109.916 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -74.25 -25.16 59.47 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.681 0.792 . . . . 74.310000000000002 111.43 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.91 -48.2 79.98 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.639 0.775 . . . . 63.109999999999999 109.596 172.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.15 -42.33 99.44 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.886 -1.052 . . . . 63.210000000000001 110.416 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.44 65.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.685 0.794 . . . . 54.439999999999998 112.248 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.69 -45.4 65.09 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.997 0.919 . . . . 64.319999999999993 110.446 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.522 -0.763 . . . . 73.120000000000005 110.99 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.16 -41.75 98.6 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.958 -1.019 . . . . 72.340000000000003 110.355 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.21 77.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.294 -0.866 . . . . 72.019999999999996 110.471 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.12 -41.23 83.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.525 0.73 . . . . 64.319999999999993 111.641 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.29 -41.89 76.64 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.146 0.979 . . . . 53.119999999999997 110.447 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 68.7 mt -89.71 -2.81 58.37 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.014 -0.994 . . . . 52.130000000000003 111.665 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 68.57 27.62 6.08 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.999 1.32 . . . . 63.030000000000001 111.23 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.551 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.1 mm-40 -74.22 91.05 2.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.649 1.18 . . . . 65.099999999999994 109.984 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -58.74 10.36 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.338 0.399 . . . . 65.329999999999998 112.515 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.07 -39.84 63.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.896 0.879 . . . . 74.540000000000006 112.035 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 23' ' ' GLN . 5.6 mp -74.61 -28.28 60.82 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.077 0.551 . . . . 73.549999999999997 112.179 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.71 -43.03 73.23 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.994 -0.373 . . . . 73.299999999999997 109.994 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.18 96.71 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 115.324 -0.853 . . . . 74.310000000000002 112.012 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -66.01 -41.44 91.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.497 0.719 . . . . 63.310000000000002 110.619 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.87 79.15 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.514 0.725 . . . . 44.299999999999997 110.735 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.69 -42.7 90.93 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.977 0.911 . . . . 74.129999999999995 111.064 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.68 -41.87 91.66 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.411 1.084 . . . . 72.319999999999993 110.95 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -68.53 -45.46 72.16 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.465 0.706 . . . . 73.030000000000001 110.39 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.45 -37.31 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.572 . . . . 72.030000000000001 110.186 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.08 -45.28 96.25 Favored Glycine 0 C--N 1.345 1.052 0 O-C-N 123.987 0.804 . . . . 64.310000000000002 111.971 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.72 -31.42 72.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.341 0.657 . . . . 75.349999999999994 111.071 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.559 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 28.7 mm-40 -72.82 -33.17 66.01 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.673 0.389 . . . . 73.010000000000005 110.868 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HE3' ' HE2' ' A' ' 50' ' ' TYR . 73.6 mmtt -71.31 -40.9 70.52 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.97 0.508 . . . . 74.319999999999993 109.998 173.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.34 -38.48 91.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.594 1.158 . . . . 72.319999999999993 110.719 -176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HD2' ' HA ' ' A' ' 37' ' ' GLU . 12.1 ptmt -75.36 -23.13 57.14 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.556 0.742 . . . . 74.310000000000002 110.944 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 77.1 mtm -92.28 0.24 57.44 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.354 0.661 . . . . 74.329999999999998 112.328 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.84 10.8 84.96 Favored Glycine 0 C--N 1.348 1.217 0 N-CA-C 113.492 0.157 . . . . 45.140000000000001 113.492 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -92.72 55.37 2.42 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 73.430000000000007 108.224 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 80' ' ' LYS . 43.4 t -71.83 -25.8 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 114.297 -1.32 . . . . 72.430000000000007 112.302 -163.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -67.39 -39.29 85.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.798 0.439 . . . . 64.120000000000005 110.096 177.749 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.22 -42.54 88.57 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 123.809 0.693 . . . . 61.509999999999998 109.71 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.6 71.15 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.312 1.045 . . . . 63.340000000000003 111.11 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.16 -51.46 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.726 1.267 . . . . 73.310000000000002 110.886 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 36.7 mt-10 -62.16 -40.01 94.54 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.055 0.847 . . . . 64.150000000000006 111.039 -174.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.423 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 63.7 m-85 -69.2 -38.46 78.62 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.198 0.599 . . . . 73.319999999999993 111.604 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -71.04 -29.87 65.9 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.388 0.43 . . . . 54.25 110.523 177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.32 -44.88 67.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.326 0.65 . . . . 75.549999999999997 109.381 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.5 mtp180 -64.91 -48.7 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.862 -1.063 . . . . 64.219999999999999 110.081 176.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.15 -46.95 79.08 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.187 0.995 . . . . 70.409999999999997 111.201 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.92 -38.9 92.8 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.055 1.342 . . . . 73.310000000000002 110.837 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -68.73 -31.98 71.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.91 0.884 . . . . 72.120000000000005 110.759 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 53' ' ' ARG . 89.3 t -74.42 -41.41 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.828 0.451 . . . . 75.319999999999993 110.007 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -66.64 -30.08 70.26 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.034 0.534 . . . . 73.120000000000005 110.687 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -70.4 -38.02 74.57 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.72 1.208 . . . . 73.140000000000001 110.065 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.59 80.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.644 -0.707 . . . . 70.340000000000003 110.455 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 18.8 mm-40 -71.48 -12.35 61.35 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.785 0.834 . . . . 75.409999999999997 110.716 173.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 m80 63.01 25.36 15.0 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.848 1.259 . . . . 73.120000000000005 111.622 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -96.12 94.21 7.4 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.115 -1.439 . . . . 73.349999999999994 107.115 171.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.8 t -60.32 -35.7 76.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.032 -0.531 . . . . 72.209999999999994 111.407 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.6 -34.38 72.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.467 0.707 . . . . 75.019999999999996 111.443 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.6 -40.32 86.03 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.672 -0.571 . . . . 70.209999999999994 111.672 175.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.44 88.75 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.328 0.651 . . . . 72.400000000000006 110.838 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.06 -28.53 64.44 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.996 0.918 . . . . 72.040000000000006 111.17 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -40.25 71.61 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.296 -0.631 . . . . 50.340000000000003 109.296 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.4 -29.99 69.64 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.864 -0.607 . . . . 54.25 110.481 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 -27.85 62.57 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.904 0.882 . . . . 71.230000000000004 111.6 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -49.63 63.78 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.254 -0.647 . . . . 73.400000000000006 109.254 174.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.0 m -63.4 -30.92 71.96 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.429 -0.805 . . . . 43.119999999999997 111.27 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 13.2 mt -67.22 -48.18 68.59 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.657 0.783 . . . . 74.140000000000001 111.748 175.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.1 p -63.69 -35.24 79.9 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.481 0.313 . . . . 71.040000000000006 110.732 -176.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.71 -43.75 98.0 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.764 0.826 . . . . 64.140000000000001 110.192 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.955 -1.021 . . . . 75.420000000000002 111.505 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -69.54 -21.71 63.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.726 0.81 . . . . 74.140000000000001 111.694 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -78.04 -30.79 50.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.822 0.449 . . . . 61.200000000000003 111.407 173.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.68 ' HB2' HG11 ' A' ' 44' ' ' VAL . 97.6 mttt -81.6 -25.46 35.71 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.678 0.391 . . . . 73.239999999999995 111.087 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -85.63 -48.16 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.345 0.658 . . . . 71.319999999999993 109.494 173.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -113.05 100.42 8.6 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 107.735 -1.209 . . . . 65.129999999999995 107.735 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 137.92 62.88 0.05 OUTLIER Glycine 0 N--CA 1.473 1.102 0 N-CA-C 110.328 -1.109 . . . . 44.409999999999997 110.328 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.2 p -60.93 109.01 0.95 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.905 1.282 . . . . 71.329999999999998 113.092 -172.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.83 92.96 0.06 OUTLIER Glycine 0 C--N 1.354 1.534 0 CA-C-N 115.641 -0.709 . . . . 65.120000000000005 113.393 171.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.84 102.75 0.29 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.393 0.677 . . . . 51.409999999999997 109.793 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -61.2 127.06 29.68 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.682 0.793 . . . . 55.219999999999999 111.108 -173.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.98 -81.48 0.29 Allowed Glycine 0 C--N 1.338 0.66 0 N-CA-C 111.258 -0.737 . . . . 61.210000000000001 111.258 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -164.43 156.05 15.9 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.244 0.618 . . . . 73.319999999999993 111.202 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.78 80.18 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 107.187 -1.412 . . . . 73.049999999999997 107.187 171.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -89.36 92.29 9.08 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 107.784 -1.191 . . . . 62.119999999999997 107.784 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -85.41 177.71 7.7 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.462 -0.79 . . . . 75.420000000000002 110.932 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -84.23 151.44 24.82 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.217 -0.901 . . . . 74.010000000000005 109.438 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.5 111.13 1.91 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.418 1.087 . . . . 63.420000000000002 112.13 -174.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.0 -54.97 3.31 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 115.741 -0.663 . . . . 74.310000000000002 114.387 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 73.47 -51.28 0.7 Allowed 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 126.071 1.749 . . . . 71.219999999999999 111.688 -174.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 m -83.1 43.48 0.87 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.092 0.957 . . . . 42.520000000000003 111.475 175.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mp 55.91 75.11 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 124.384 1.074 . . . . 74.109999999999999 109.297 -174.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.5 mt 63.2 -167.15 0.22 Allowed 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 114.483 -1.235 . . . . 74.430000000000007 111.387 -176.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 CA--C 1.555 1.141 0 C-N-CA 123.352 0.661 . . . . 62.039999999999999 110.404 179.14 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.894 -0.482 . . . . 51.420000000000002 111.894 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.96 -145.68 4.21 Favored Glycine 0 C--N 1.343 0.926 0 N-CA-C 111.504 -0.638 . . . . 71.209999999999994 111.504 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 p -65.55 163.0 37.5 Favored Pre-proline 0 CA--C 1.561 1.374 0 C-N-CA 124.166 0.987 . . . . 73.099999999999994 111.743 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.493 ' O ' HG13 ' A' ' 8' ' ' ILE . 74.5 Cg_exo -52.25 -34.61 60.29 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.53 2.153 . . . . 73.310000000000002 112.34 166.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.29 -44.76 80.17 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.476 1.111 . . . . 62.130000000000003 111.122 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -64.53 -37.95 89.33 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.509 1.124 . . . . 72.049999999999997 109.694 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 41.7 m-80 -68.64 -31.26 70.28 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.149 0.58 . . . . 74.310000000000002 111.245 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.672 HG23 HG23 ' A' ' 34' ' ' ILE . 80.0 mt -62.03 -43.42 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.233 0.613 . . . . 71.310000000000002 110.18 177.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.25 64.05 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.945 0.898 . . . . 55.130000000000003 111.702 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 62.4 tttp -67.82 -49.53 61.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.78 0.832 . . . . 53.549999999999997 110.659 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -62.34 -33.98 75.76 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.221 0.608 . . . . 50.530000000000001 111.128 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.8 -35.27 74.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.078 0.951 . . . . 74.519999999999996 111.354 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -77.12 -39.2 50.21 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.691 -0.686 . . . . 72.349999999999994 110.369 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.78 77.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.522 0.729 . . . . 74.510000000000005 110.264 172.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 48.1 t80 -62.02 -35.16 77.75 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.378 -1.283 . . . . 75.219999999999999 111.432 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -64.52 -34.34 78.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.689 0.396 . . . . 64.540000000000006 110.795 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -72.95 -45.15 59.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.092 0.87 . . . . 62.229999999999997 110.41 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.25 -41.61 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.135 0.974 . . . . 62.439999999999998 111.103 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -73.29 -41.31 63.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.264 1.426 . . . . 74.140000000000001 110.19 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.45 -40.04 81.54 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.114 1.365 . . . . 75.549999999999997 111.513 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.0 mt -87.69 -5.56 58.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.171 -0.922 . . . . 61.009999999999998 111.306 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 62.43 37.85 13.24 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.816 1.247 . . . . 61.439999999999998 111.593 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -97.49 86.5 3.87 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.003 -1.11 . . . . 61.310000000000002 108.003 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.63 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 123.822 0.701 . . . . 73.239999999999995 114.496 -172.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.82 -51.77 51.75 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.886 -0.783 . . . . 73.409999999999997 108.886 171.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.29 -34.46 77.73 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.203 1.001 . . . . 75.430000000000007 111.127 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.9 mtp -69.38 -50.09 49.29 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.901 0.881 . . . . 72.349999999999994 110.606 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.0 99.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 123.794 0.684 . . . . 61.229999999999997 112.215 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -63.3 -40.38 97.2 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.305 1.042 . . . . 62.32 110.637 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 15' ' ' TYR . . . -63.18 -50.99 68.15 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.696 0.799 . . . . 71.010000000000005 110.145 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 34' ' ' ILE . 93.6 mt -63.54 -33.34 75.38 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.885 0.874 . . . . 62.32 111.162 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.48 -42.49 87.41 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.779 0.674 . . . . 74.510000000000005 109.895 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -65.94 -44.39 85.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.559 0.743 . . . . 72.0 110.362 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.672 HG23 HG23 ' A' ' 8' ' ' ILE . 88.2 mt -56.23 -44.24 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 124.21 0.944 . . . . 75.230000000000004 110.101 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.67 -42.13 99.73 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 124.135 0.897 . . . . 41.420000000000002 112.468 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.51 -35.42 80.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.161 0.585 . . . . 61.520000000000003 111.003 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.97 -40.63 75.28 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.589 0.756 . . . . 71.25 110.665 178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.23 -42.93 96.26 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.275 0.63 . . . . 74.540000000000006 109.98 173.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -60.61 -46.29 90.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.242 1.417 . . . . 70.510000000000005 111.019 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -75.65 -24.03 56.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.102 0.561 . . . . 65.329999999999998 112.081 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.9 mtp -75.81 -16.77 60.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.104 0.562 . . . . 70.519999999999996 111.082 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.4 -1.21 64.15 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 119.784 -0.453 . . . . 51.229999999999997 112.546 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -87.21 67.3 9.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.231 1.012 . . . . 62.039999999999999 109.826 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.602 HG11 ' HB2' ' A' ' 80' ' ' LYS . 44.8 t -72.46 -26.84 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 114.375 -1.284 . . . . 73.510000000000005 111.6 -171.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -40.66 79.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.005 0.522 . . . . 75.430000000000007 109.696 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.03 -36.68 75.23 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.798 0.686 . . . . 74.349999999999994 110.394 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -47.41 74.07 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.706 0.802 . . . . 52.420000000000002 109.985 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -47.41 77.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 124.515 1.134 . . . . 63.310000000000002 111.418 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.29 -48.62 73.8 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.976 0.798 . . . . 74.329999999999998 110.637 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -71.04 -32.18 68.83 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.499 -0.773 . . . . 54.399999999999999 112.595 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -75.52 -30.13 59.68 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.921 0.328 . . . . 62.210000000000001 110.406 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.2 -45.44 69.91 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.775 -0.824 . . . . 70.219999999999999 108.775 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 57' ' ' VAL . 70.6 mtp180 -61.5 -50.79 71.28 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 114.177 -1.374 . . . . 73.450000000000003 110.6 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.2 73.82 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.485 1.114 . . . . 41.25 110.674 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.48 -43.78 98.26 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.131 0.972 . . . . 74.209999999999994 111.264 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -39.32 94.04 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.055 0.847 . . . . 64.329999999999998 110.443 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 53' ' ' ARG . 61.9 t -68.6 -42.44 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 122.945 0.498 . . . . 62.420000000000002 109.89 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -64.56 -34.17 77.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.781 0.832 . . . . 70.040000000000006 111.222 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.22 -36.1 78.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.761 0.824 . . . . 74.519999999999996 110.044 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.4 80.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.202 -0.908 . . . . 64.299999999999997 110.7 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 13.2 mm-40 -75.82 -11.26 59.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.879 0.872 . . . . 73.299999999999997 111.494 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 64.69 21.63 12.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.502 1.121 . . . . 63.340000000000003 110.95 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -83.6 99.82 10.42 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.214 -1.032 . . . . 73.140000000000001 108.214 173.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 t -65.72 -41.13 92.63 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.945 -1.025 . . . . 63.439999999999998 111.418 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.56 -44.34 87.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.689 0.796 . . . . 73.25 111.597 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.12 -37.12 86.79 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.654 0.596 . . . . 35.109999999999999 112.516 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -37.76 88.6 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.069 0.548 . . . . 54.109999999999999 110.205 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.37 -32.51 70.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.783 0.833 . . . . 72.219999999999999 111.206 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -50.18 70.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.283 1.033 . . . . 73.299999999999997 109.436 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.83 86.91 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.609 -1.178 . . . . 75.219999999999999 110.778 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.45 70.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.731 0.813 . . . . 63.030000000000001 112.096 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.64 -48.87 44.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.866 0.866 . . . . 62.109999999999999 109.877 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -65.91 -29.88 70.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.808 -1.087 . . . . 72.049999999999997 110.23 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.38 -46.75 82.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.044 0.938 . . . . 62.32 110.855 170.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.4 t -58.59 -33.13 69.64 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.42 0.688 . . . . 72.129999999999995 110.821 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -76.91 -37.83 54.66 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.819 0.847 . . . . 73.120000000000005 110.671 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.27 82.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.734 0.814 . . . . 73.549999999999997 111.723 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -68.14 -26.1 65.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.139 0.576 . . . . 64.219999999999999 111.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -61.77 -44.49 96.79 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.166 0.587 . . . . 73.430000000000007 110.471 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.602 ' HB2' HG11 ' A' ' 44' ' ' VAL . 47.7 mttm -69.61 -38.68 77.36 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.999 -1.001 . . . . 70.519999999999996 110.713 -174.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.81 -45.23 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.188 0.995 . . . . 52.32 110.992 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.31 -38.87 78.44 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.152 0.981 . . . . 64.430000000000007 111.459 -175.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.86 -154.29 16.71 Favored Glycine 0 C--N 1.341 0.849 0 N-CA-C 111.202 -0.759 . . . . 74.010000000000005 111.202 -173.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t 66.03 95.89 0.06 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.444 1.098 . . . . 71.340000000000003 109.648 -173.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.68 2.66 61.34 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-N 115.583 -0.735 . . . . 64.409999999999997 111.528 -169.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.7 144.87 50.86 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.074 0.95 . . . . 64.019999999999996 110.774 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -164.63 116.36 1.24 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.553 1.141 . . . . 63.539999999999999 108.6 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.37 58.96 3.82 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 116.239 -0.437 . . . . 75.099999999999994 113.717 -171.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.62 107.58 18.59 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 107.7 -1.222 . . . . 72.340000000000003 107.7 165.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.6 pt -88.81 30.09 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.61 1.164 . . . . 75.430000000000007 111.68 -177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -54.63 -40.72 69.24 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.95 0.9 . . . . 65.439999999999998 111.203 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -79.21 95.42 5.63 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 123.304 0.642 . . . . 75.430000000000007 110.329 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -110.78 88.7 2.84 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 107.809 -1.182 . . . . 74.140000000000001 107.809 164.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -88.02 84.6 6.95 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.592 -1.262 . . . . 62.030000000000001 107.592 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.7 93.64 0.09 OUTLIER Glycine 0 C--N 1.341 0.856 0 CA-C-N 114.615 -1.175 . . . . 34.439999999999998 110.855 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.09 145.44 55.83 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.335 0.654 . . . . 65.099999999999994 109.744 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.5 m -77.14 76.86 3.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.1 0.56 . . . . 51.299999999999997 110.069 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.415 ' O ' HD12 ' A' ' 98' ' ' ILE . 2.4 pp -121.24 117.61 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 124.654 1.182 . . . . 71.340000000000003 108.853 177.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.35 156.59 24.16 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 114.889 -1.05 . . . . 75.310000000000002 109.194 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.849 -0.596 . . . . 72.219999999999999 109.629 -179.061 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.085 0 CA-C-O 120.147 -0.252 . . . . 61.340000000000003 112.553 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.79 82.0 0.31 Allowed Glycine 0 C--N 1.352 1.417 0 C-N-CA 123.121 0.391 . . . . 42.109999999999999 112.524 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -71.67 143.24 86.97 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.183 0.993 . . . . 74.510000000000005 110.92 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.556 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 8.0 Cg_endo -48.49 -40.65 37.05 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 124.174 3.25 . . . . 75.219999999999999 114.899 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 8' ' ' ILE . 26.3 t70 -57.97 -46.48 85.08 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.874 0.734 . . . . 74.420000000000002 111.064 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -68.92 -34.7 75.81 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.967 -1.015 . . . . 33.409999999999997 109.232 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.09 -31.46 70.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.027 0.931 . . . . 73.140000000000001 111.497 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 5' ' ' ASP . 91.1 mt -52.54 -51.21 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.577 0.751 . . . . 73.129999999999995 109.726 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -34.11 77.61 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.544 0.738 . . . . 51.32 112.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -64.99 -41.11 95.7 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.373 0.669 . . . . 54.439999999999998 110.288 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.12 -25.13 51.77 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.276 -0.875 . . . . 63.420000000000002 111.115 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 53.0 mt-10 -72.83 -31.99 65.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.015 0.526 . . . . 63.210000000000001 110.707 173.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.99 59.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.114 0.566 . . . . 74.120000000000005 109.716 174.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.19 66.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.453 0.701 . . . . 75.450000000000003 110.26 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -70.09 -44.16 69.61 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.822 0.849 . . . . 74.319999999999993 110.301 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -73.12 -31.6 64.41 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.742 0.652 . . . . 74.310000000000002 111.123 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -69.99 -29.46 66.54 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.986 0.422 . . . . 63.530000000000001 110.035 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.12 60.43 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.556 0.742 . . . . 72.319999999999993 110.877 172.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.55 -33.87 60.7 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.551 1.14 . . . . 54.509999999999998 111.414 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.36 -31.71 71.29 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.152 0.501 . . . . 73.140000000000001 110.266 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.98 -16.61 57.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.14 -0.937 . . . . 44.310000000000002 110.316 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 62.4 25.66 15.31 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.926 1.291 . . . . 75.430000000000007 110.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -97.25 92.23 5.9 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.366 -0.834 . . . . 61.109999999999999 109.107 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.64 -31.0 57.29 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.173 -0.921 . . . . 70.200000000000003 114.582 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 9.3 pt-20 -61.65 -30.52 70.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.896 0.478 . . . . 70.140000000000001 111.504 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -81.23 -42.59 20.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.386 1.074 . . . . 54.009999999999998 111.217 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 85.0 mtp -63.2 -43.07 99.19 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.269 1.028 . . . . 70.450000000000003 111.926 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -32.03 82.4 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.54 -0.755 . . . . 73.120000000000005 112.667 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 95.0 mtt180 -59.54 -50.19 74.85 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.216 -0.661 . . . . 73.219999999999999 109.216 175.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.08 91.86 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.587 1.18 . . . . 74.109999999999999 111.625 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 53' ' ' ARG . 91.6 mt -66.15 -39.59 89.93 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.498 0.719 . . . . 70.200000000000003 110.84 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -64.21 -38.32 90.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.529 0.731 . . . . 74.430000000000007 110.177 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -64.32 -48.65 74.8 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.461 0.705 . . . . 74.120000000000005 110.673 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 72.2 mt -59.96 -37.98 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 124.075 0.86 . . . . 65.340000000000003 110.08 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.77 96.79 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 124.007 0.817 . . . . 44.350000000000001 112.333 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.26 -34.01 77.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.271 0.628 . . . . 62.240000000000002 110.652 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.04 -45.66 76.79 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.715 0.634 . . . . 62.420000000000002 110.662 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 73.7 mmtt -60.0 -43.74 95.0 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.389 0.676 . . . . 71.049999999999997 110.196 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -64.01 -43.82 94.47 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.332 1.053 . . . . 75.510000000000005 110.797 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.556 ' HD2' ' HB3' ' A' ' 4' ' ' PRO . 16.4 ptpt -75.29 -23.18 57.34 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.681 0.392 . . . . 71.200000000000003 110.956 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.6 mtp -75.39 -15.36 60.47 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.493 0.717 . . . . 64.230000000000004 110.973 170.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.51 -13.84 59.54 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 116.075 -0.511 . . . . 74.340000000000003 112.694 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -84.71 70.89 10.85 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 122.05 0.929 . . . . 63.340000000000003 109.888 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.46 -24.09 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 114.129 -1.396 . . . . 72.129999999999995 111.215 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -56.06 -52.5 64.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.553 0.741 . . . . 51.340000000000003 111.257 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.47 -33.34 72.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.647 0.379 . . . . 73.200000000000003 110.775 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.1 74.61 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.744 0.818 . . . . 51.219999999999999 111.061 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -53.81 -52.34 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 124.7 1.25 . . . . 75.519999999999996 110.981 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 52' ' ' LEU . 49.0 mt-10 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.028 0.83 . . . . 63.009999999999998 111.309 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -74.8 -31.32 61.68 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.053 0.76 . . . . 74.409999999999997 113.053 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -75.44 -27.44 58.94 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.75 -0.463 . . . . 61.130000000000003 109.75 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 49' ' ' GLU . 90.1 mt -69.2 -44.92 71.13 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.572 0.749 . . . . 65.030000000000001 109.35 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 57' ' ' VAL . 76.3 mtp180 -67.48 -44.85 77.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.376 -0.829 . . . . 73.150000000000006 110.843 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.86 -47.79 83.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.261 0.624 . . . . 24.34 110.471 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.5 -41.17 96.89 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.382 1.051 . . . . 75.439999999999998 110.896 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.53 -46.17 87.34 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 124.092 0.87 . . . . 60.210000000000001 110.87 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 53' ' ' ARG . 73.3 t -69.47 -44.31 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 115.088 -0.96 . . . . 73.0 110.533 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -64.69 -30.86 71.88 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.311 0.644 . . . . 71.400000000000006 111.769 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.28 -37.76 81.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.201 1.0 . . . . 72.099999999999994 109.414 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.43 68.75 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.789 -1.096 . . . . 65.439999999999998 111.012 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 19.4 mm-40 -76.62 -14.65 59.97 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.312 0.645 . . . . 75.0 111.862 175.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 m170 63.03 27.67 15.94 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.03 0.932 . . . . 74.109999999999999 111.408 -172.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.04 99.33 11.82 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.361 -0.978 . . . . 73.430000000000007 108.361 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.3 t -61.88 -40.55 95.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.388 0.675 . . . . 64.420000000000002 111.672 -173.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 14.7 m-20 -68.29 -32.5 72.69 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.303 0.641 . . . . 75.219999999999999 111.642 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.61 87.79 Favored Glycine 0 CA--C 1.526 0.766 0 O-C-N 123.441 0.463 . . . . 74.219999999999999 112.005 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.13 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.285 0.634 . . . . 74.030000000000001 111.232 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 65' ' ' ASP . 97.4 mtt180 -64.63 -53.71 43.36 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 61.549999999999997 110.43 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -69.96 -33.92 72.73 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.394 -0.821 . . . . 71.019999999999996 111.276 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -42.78 63.79 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 122.906 0.483 . . . . 74.349999999999994 110.484 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.54 65.47 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.766 0.666 . . . . 33.25 110.982 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.6 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 1.2 tpmt? -76.41 -40.64 50.23 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.017 0.527 . . . . 73.439999999999998 110.326 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.0 t -68.03 -32.21 72.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.674 0.79 . . . . 70.409999999999997 109.802 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -47.01 88.35 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.438 -0.801 . . . . 73.099999999999994 110.657 168.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m -61.72 -36.49 81.1 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.667 0.605 . . . . 74.319999999999993 111.555 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.6 -42.33 82.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.605 0.762 . . . . 70.329999999999998 110.746 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.12 95.35 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.328 1.051 . . . . 74.230000000000004 111.9 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -72.28 -23.63 61.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.23 0.612 . . . . 71.120000000000005 111.805 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.34 -21.06 56.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.712 0.405 . . . . 75.5 111.165 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -82.19 -44.44 16.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.641 0.776 . . . . 74.219999999999999 109.71 174.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -68.37 -71.81 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.463 -0.79 . . . . 75.040000000000006 110.016 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -81.49 113.17 19.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.442 0.697 . . . . 61.409999999999997 109.414 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.61 55.09 4.98 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 112.26 -0.336 . . . . 75.219999999999999 112.26 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 m -77.8 109.78 12.11 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.309 0.644 . . . . 52.409999999999997 109.308 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.81 -56.36 1.89 Allowed Glycine 0 C--N 1.342 0.878 0 N-CA-C 111.846 -0.502 . . . . 75.109999999999999 111.846 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.0 t70 63.19 17.44 10.2 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.881 1.272 . . . . 75.099999999999994 111.441 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -147.46 89.82 1.81 Allowed 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.594 -0.891 . . . . 74.150000000000006 108.594 -173.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.33 94.15 1.92 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 111.113 -0.795 . . . . 55.039999999999999 111.113 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 57.8 mttm -71.95 88.84 1.07 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.039 0.535 . . . . 74.200000000000003 111.131 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.7 pt -85.99 64.41 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-O 122.475 1.131 . . . . 61.049999999999997 111.309 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -93.25 100.63 12.95 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 114.769 -1.105 . . . . 75.409999999999997 109.037 174.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 63.43 23.06 13.54 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.863 1.265 . . . . 73.430000000000007 112.631 174.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 89' ' ' LYS . 98.2 mttt -73.52 85.69 1.55 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.416 0.627 . . . . 75.510000000000005 109.438 176.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -81.06 -70.47 0.53 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.86 -1.064 . . . . 72.230000000000004 109.451 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.8 -138.37 48.52 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 119.343 -0.698 . . . . 44.140000000000001 112.467 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 44.82 58.09 4.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.154 1.382 . . . . 63.130000000000003 111.796 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.0 t -121.97 91.64 3.55 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 114.695 -1.139 . . . . 73.340000000000003 108.984 -175.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mp -79.64 94.83 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 N-CA-C 107.008 -1.478 . . . . 71.129999999999995 107.008 174.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.77 178.89 5.65 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.896 0.878 . . . . 74.239999999999995 111.559 -176.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 123.32 0.648 . . . . 75.409999999999997 109.911 176.071 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.882 0 N-CA-C 111.436 -0.665 . . . . 74.019999999999996 111.436 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.14 -149.8 7.91 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 112.185 -0.366 . . . . 61.119999999999997 112.185 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 m -57.97 138.88 83.32 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.222 0.609 . . . . 72.420000000000002 110.469 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.05 -32.86 70.9 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 122.586 2.19 . . . . 74.439999999999998 112.937 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.724 ' HA ' HD12 ' A' ' 8' ' ' ILE . 28.4 t70 -62.35 -43.44 98.82 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.051 0.94 . . . . 63.240000000000002 111.397 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.47 -47.6 84.93 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 61.420000000000002 110.092 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.474 ' HA ' ' HZ3' ' A' ' 10' ' ' LYS . 84.7 m-20 -56.2 -39.76 72.94 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 124.227 0.954 . . . . 73.319999999999993 111.058 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 5' ' ' ASP . 67.5 mt -51.87 -54.47 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.747 1.219 . . . . 71.319999999999993 111.748 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -62.37 -33.4 74.66 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.237 0.961 . . . . 54.100000000000001 111.253 -176.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HZ3' ' HA ' ' A' ' 7' ' ' ASN . 7.4 ttpm? -72.94 -42.55 63.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.62 0.768 . . . . 72.219999999999999 110.802 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -72.33 -22.68 61.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.384 0.673 . . . . 74.019999999999996 111.311 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -73.85 -35.47 64.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 62.340000000000003 110.245 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 56.5 mttm -68.34 -41.17 81.13 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.374 -0.602 . . . . 71.420000000000002 109.374 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.19 68.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.914 -1.039 . . . . 71.239999999999995 111.632 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.34 -37.78 80.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.106 0.962 . . . . 64.400000000000006 110.899 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.62 -36.86 79.2 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.859 0.362 . . . . 74.439999999999998 111.218 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -69.68 -39.5 76.96 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.973 0.909 . . . . 73.430000000000007 109.076 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.11 85.24 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.68 -1.145 . . . . 71.120000000000005 110.604 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.91 -41.45 95.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.396 -1.274 . . . . 74.510000000000005 110.464 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.48 -40.28 82.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.511 1.124 . . . . 70.200000000000003 111.681 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.8 mt -94.77 11.3 31.93 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.591 -0.731 . . . . 44.43 111.676 -177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 64.06 22.56 12.96 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.805 1.242 . . . . 75.420000000000002 111.841 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -83.65 85.02 7.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.777 0.831 . . . . 75.349999999999994 109.761 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.73 78.24 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-N 115.783 -0.644 . . . . 54.310000000000002 111.99 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.3 -51.51 64.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.007 0.923 . . . . 73.439999999999998 110.369 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.4 mt -67.76 -39.37 84.15 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.266 -0.879 . . . . 75.420000000000002 111.207 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.6 mtm -65.72 -39.22 90.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.671 0.389 . . . . 64.329999999999998 111.821 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.87 -46.43 82.3 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.019 -0.832 . . . . 51.520000000000003 111.019 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.43 -35.72 78.36 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.558 0.743 . . . . 74.239999999999995 110.905 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.65 42.51 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.95 0.782 . . . . 42.109999999999999 110.739 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.5 -34.61 78.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.27 0.628 . . . . 71.209999999999994 111.159 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' OH ' ' HG2' ' A' ' 69' ' ' ARG . 64.3 t80 -66.93 -43.89 82.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 61.200000000000003 110.599 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 36.8 t-20 -67.05 -46.98 72.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.779 0.832 . . . . 61.32 109.847 -177.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.6 HG23 HG23 ' A' ' 8' ' ' ILE . 81.3 mt -56.83 -44.22 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.542 1.137 . . . . 53.030000000000001 110.543 173.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.31 -41.3 99.47 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.877 0.735 . . . . 62.200000000000003 112.834 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.69 -47.96 80.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.068 0.547 . . . . 62.310000000000002 109.967 174.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 12.2 mm-40 -62.83 -30.78 71.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.842 0.714 . . . . 75.420000000000002 112.364 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.35 -47.53 83.8 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.851 -0.426 . . . . 74.129999999999995 109.851 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -64.19 -31.9 73.27 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 124.335 1.022 . . . . 73.030000000000001 111.338 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -63.48 -39.33 94.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.548 0.739 . . . . 61.340000000000003 110.615 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.6 mtm -88.92 0.54 56.52 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.515 0.726 . . . . 74.430000000000007 112.042 -175.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.54 9.5 78.68 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-O 119.904 -0.387 . . . . 71.400000000000006 113.643 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.64 69.29 9.67 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.099 -1.074 . . . . 73.409999999999997 108.099 170.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 80' ' ' LYS . 57.5 t -74.56 -30.35 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 115.009 -0.996 . . . . 62.340000000000003 111.945 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -68.18 -40.07 82.35 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.196 -0.668 . . . . 65.049999999999997 109.196 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.93 -35.2 66.97 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.379 -0.828 . . . . 73.010000000000005 109.604 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.51 72.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.204 0.94 . . . . 41.520000000000003 110.302 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -52.22 -49.78 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 124.809 1.318 . . . . 65.319999999999993 111.404 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -45.44 82.95 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.205 1.402 . . . . 74.540000000000006 110.298 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -71.94 -33.49 68.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.629 0.772 . . . . 75.319999999999993 112.495 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -71.02 -29.75 65.77 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.433 0.293 . . . . 75.109999999999999 110.433 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.39 -43.94 63.21 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.812 0.695 . . . . 54.299999999999997 109.416 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' VAL . 58.9 mtt180 -61.05 -53.47 56.74 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.012 0.82 . . . . 72.150000000000006 109.827 176.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.3 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.653 1.181 . . . . 73.319999999999993 111.994 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -58.21 -45.72 87.12 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.674 1.234 . . . . 61.299999999999997 110.657 -178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.09 -36.31 83.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.964 0.79 . . . . 73.239999999999995 111.2 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 53' ' ' ARG . 44.4 t -68.61 -39.4 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 N-CA-C 109.74 -0.467 . . . . 55.219999999999999 109.74 176.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -63.06 -35.32 79.85 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.572 0.749 . . . . 72.549999999999997 110.761 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.33 -35.17 73.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.998 0.519 . . . . 70.230000000000004 110.924 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.55 82.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.574 0.75 . . . . 64.200000000000003 110.515 175.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -83.43 -11.98 56.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.18 0.992 . . . . 74.109999999999999 111.259 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 66.17 22.81 11.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.642 1.177 . . . . 63.439999999999998 112.279 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.45 94.69 5.61 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.246 -1.02 . . . . 71.010000000000005 108.246 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -64.4 -33.85 76.81 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.016 -0.993 . . . . 62.299999999999997 111.801 -175.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.49 -59.11 5.65 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.315 1.046 . . . . 44.240000000000002 111.7 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.05 68.31 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-N 115.794 -0.639 . . . . 61.32 113.078 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.12 85.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.89 0.376 . . . . 23.329999999999998 111.095 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -72.06 -32.36 67.01 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.323 0.649 . . . . 71.040000000000006 110.701 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HG2' ' OH ' ' A' ' 32' ' ' TYR . 71.3 ttt180 -74.55 -32.7 62.52 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.688 0.795 . . . . 73.340000000000003 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.04 70.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.749 -0.66 . . . . 71.140000000000001 109.456 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.11 70.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.797 0.839 . . . . 73.25 111.445 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -68.57 -49.33 60.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.563 0.745 . . . . 74.25 109.794 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.6 m -63.95 -30.36 71.45 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.772 -0.649 . . . . 54.399999999999999 111.714 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.82 -43.56 71.78 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.642 0.777 . . . . 72.209999999999994 110.676 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.9 t -58.37 -37.24 74.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.463 0.705 . . . . 72.239999999999995 110.288 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.86 -47.04 55.72 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.369 1.068 . . . . 63.140000000000001 110.926 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.71 88.43 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.036 0.935 . . . . 62.030000000000001 111.718 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 23.1 m-85 -66.97 -36.38 82.06 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.779 0.431 . . . . 74.109999999999999 110.851 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.63 -33.13 71.12 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.422 0.689 . . . . 75.230000000000004 111.257 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HB2' HG11 ' A' ' 44' ' ' VAL . 92.3 mttt -75.78 -34.21 60.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.301 0.641 . . . . 74.109999999999999 110.758 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t -82.14 -13.95 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.803 0.841 . . . . 72.540000000000006 111.409 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 78' ' ' TYR . 53.9 mm-40 -63.15 138.51 58.57 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.095 0.474 . . . . 73.430000000000007 111.615 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.18 29.5 2.52 Favored Glycine 0 C--O 1.24 0.469 0 CA-C-N 114.647 -1.161 . . . . 53.340000000000003 110.556 173.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.0 t -70.63 -35.16 72.78 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 124.078 0.951 . . . . 75.230000000000004 110.602 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.09 -43.19 2.28 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 112.073 -0.411 . . . . 63.109999999999999 112.073 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.06 122.14 23.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.295 0.638 . . . . 63.140000000000001 109.955 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -102.14 147.12 27.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.778 0.831 . . . . 73.109999999999999 109.378 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.85 -155.77 12.44 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 115.722 -0.672 . . . . 55.119999999999997 112.49 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 56.81 93.33 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.841 1.257 . . . . 73.340000000000003 110.259 -172.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.3 pt -76.0 66.72 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 CA-C-O 122.215 1.007 . . . . 60.119999999999997 110.49 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -111.41 143.49 42.15 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.767 1.227 . . . . 54.119999999999997 108.445 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -160.81 155.05 23.08 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.462 0.705 . . . . 72.319999999999993 109.49 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -74.8 96.49 3.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.401 0.68 . . . . 71.140000000000001 109.786 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -80.84 105.28 11.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.278 1.031 . . . . 72.25 108.733 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.21 -38.06 94.74 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 116.374 -0.375 . . . . 74.219999999999999 113.183 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -140.74 73.65 1.43 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.97 0.908 . . . . 73.510000000000005 109.531 -173.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -92.73 100.53 13.01 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.372 -1.344 . . . . 74.040000000000006 107.372 167.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.85 106.62 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.632 0.773 . . . . 62.049999999999997 111.357 -172.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.62 86.89 1.21 Allowed 'General case' 0 C--O 1.24 0.605 0 N-CA-C 108.709 -0.849 . . . . 74.530000000000001 108.709 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.162 0 N-CA-C 106.71 -1.589 . . . . 75.310000000000002 106.71 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.1 Cg_exo . . . . . 0 N--CA 1.49 1.304 0 N-CA-C 113.707 0.618 . . . . 74.32 113.707 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.562 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.8 t70 -73.07 -29.31 62.87 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.221 0.534 . . . . 75.01 111.018 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.34 -31.6 62.5 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.916 0.886 . . . . 54.4 110.218 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.32 -35.93 80.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.715 0.806 . . . . 62.23 109.589 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.1 mt -56.91 -40.21 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.228 1.011 . . . . 71.51 111.289 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -36.22 69.96 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.76 0.663 . . . . 73.31 111.14 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -75.51 -40.57 56.91 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.899 0.48 . . . . 70.31 110.936 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -67.8 -25.73 65.73 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.457 0.703 . . . . 74.14 112.331 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.22 -37.03 66.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.781 0.832 . . . . 71.1 110.175 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -45.04 85.98 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.134 0.574 . . . . 73.11 109.49 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.5 69.93 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.99 -1.005 . . . . 72.03 111.13 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -67.87 -43.28 79.77 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.202 0.601 . . . . 73.34 110.259 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.97 -30.28 71.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.323 0.649 . . . . 74.42 111.415 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -73.1 -40.22 65.16 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.188 0.595 . . . . 72.44 110.145 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.624 0.77 . . . . 64.52 110.822 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -75.98 -39.4 55.97 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.374 1.47 . . . . 70.5 111.513 -170.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.57 -32.77 73.75 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.054 0.454 . . . . 74.25 110.13 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.42 -11.33 58.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.585 0.754 . . . . 74.34 111.343 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 m120 64.94 22.44 12.47 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.04 1.336 . . . . 73.4 112.543 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -93.08 90.52 6.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.431 -0.951 . . . . 74.02 108.431 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' HB2' ' A' ' 27' ' ' MET . . . -63.91 -18.94 62.76 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 115.408 0.923 . . . . 74.22 115.408 -171.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.27 -46.06 90.48 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 109.393 -0.595 . . . . 74.24 109.393 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.56 -41.05 69.55 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.511 1.124 . . . . 54.35 110.762 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.432 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 81.2 mtp -62.8 -40.29 96.91 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.107 0.963 . . . . 71.21 110.872 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.34 -50.79 48.09 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 114.743 -1.117 . . . . 63.34 111.597 175.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -60.65 -31.8 71.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.253 0.621 . . . . 73.01 111.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.47 -52.04 55.82 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.467 0.707 . . . . 70.11 110.789 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 92.5 mt -69.05 -30.67 69.06 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.772 0.67 . . . . 74.41 110.887 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -64.82 -44.96 88.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.814 0.846 . . . . 62.14 110.325 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 94.8 m-20 -62.5 -44.4 96.46 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.866 0.729 . . . . 55.13 110.174 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.87 -43.79 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.053 0.845 . . . . 64.3 110.649 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.58 96.32 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.429 -0.805 . . . . 62.21 112.595 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.68 -40.42 96.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.337 0.655 . . . . 71.31 110.209 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 15.1 mm-40 -64.13 -43.12 96.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.141 0.901 . . . . 72.54 110.352 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HE2' HD13 ' A' ' 8' ' ' ILE . 74.6 mmtt -59.84 -48.58 81.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.147 0.579 . . . . 72.4 110.484 176.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.6 -41.91 95.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.39 1.076 . . . . 60.24 111.621 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -74.23 -23.1 59.12 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.564 0.346 . . . . 44.34 111.555 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 70.8 mtm -85.01 -8.56 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.219 0.607 . . . . 75.3 111.818 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.5 -0.53 65.68 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-O 120.145 -0.253 . . . . 74.4 112.908 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -81.53 69.83 8.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.773 0.829 . . . . 73.1 109.167 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 48' ' ' ILE . 98.0 t -67.86 -45.0 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 125.153 1.381 . . . . 60.12 111.626 -173.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -70.1 -33.79 72.3 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.883 0.873 . . . . 61.35 110.515 -176.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.61 -35.79 70.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.544 -0.753 . . . . 73.25 110.293 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.68 97.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.665 0.786 . . . . 65.31 110.655 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 81' ' ' VAL . 98.7 mt -53.2 -50.08 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 124.61 1.194 . . . . 61.11 111.109 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -54.13 -51.39 64.4 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 124.282 0.989 . . . . 73.15 110.83 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 55.6 m-85 -71.23 -31.4 67.52 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.124 0.787 . . . . 74.21 113.124 -175.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.66 -30.96 61.78 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 117.765 0.257 . . . . 74.32 110.563 175.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.11 -43.44 64.74 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.174 0.59 . . . . 63.1 109.672 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 57' ' ' VAL . 71.8 mtt180 -70.94 -41.06 71.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.098 -0.955 . . . . 74.41 110.088 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.53 73.73 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.844 0.715 . . . . 75.1 110.793 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -60.37 -43.2 96.8 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.716 1.26 . . . . 75.35 110.486 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -56.75 -41.96 78.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.741 1.216 . . . . 74.34 111.147 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.1 t -71.36 -38.23 68.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.859 -0.61 . . . . 63.25 110.256 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -63.0 -37.38 86.96 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.063 0.545 . . . . 64.44 111.324 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -66.34 -34.27 77.59 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.777 0.831 . . . . 60.31 110.353 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.66 86.73 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.537 0.735 . . . . 71.33 110.89 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.67 -13.66 59.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.85 0.86 . . . . 73.44 111.341 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.7 m80 67.78 21.63 9.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.255 1.422 . . . . 75.2 111.271 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -82.28 86.58 6.65 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.822 -1.177 . . . . 73.52 107.822 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 t -64.76 -24.07 67.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.412 -1.267 . . . . 74.24 111.876 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.31 -55.17 23.14 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.669 0.788 . . . . 65.22 110.603 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.34 72.0 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 124.054 0.847 . . . . 73.0 112.667 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.96 86.38 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.101 0.561 . . . . 64.41 110.606 174.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -70.3 -30.52 67.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.006 0.922 . . . . 75.02 111.129 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -69.9 -42.62 73.14 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.969 0.908 . . . . 62.31 110.359 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.28 71.6 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 115.233 -0.894 . . . . 54.52 110.064 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -71.86 -27.41 62.86 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.644 0.778 . . . . 74.4 111.783 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -73.79 -42.13 61.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.097 0.559 . . . . 45.13 109.541 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 m -69.13 -28.99 66.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.83 0.852 . . . . 72.3 111.049 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 16.5 mt -64.33 -41.18 96.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.239 0.616 . . . . 73.11 110.735 170.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.9 t -63.45 -41.6 98.64 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 123.707 0.63 . . . . 74.14 110.042 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HA ' HE21 ' A' ' 79' ' ' GLN . 0.6 OUTLIER -57.44 -39.1 75.53 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.037 1.335 . . . . 71.23 110.96 174.113 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' VAL . . . -74.04 -44.31 54.73 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.789 0.836 . . . . 74.24 111.504 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -65.96 -30.41 70.96 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.552 0.741 . . . . 75.31 111.88 -174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.438 HE21 ' HA ' ' A' ' 76' ' ' GLU . 48.1 mt-30 -59.49 -37.93 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.714 0.634 . . . . 72.51 110.553 172.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -83.39 -10.26 58.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.139 0.976 . . . . 73.44 112.378 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 48' ' ' ILE . 46.4 t . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.3 -0.629 . . . . 62.31 109.3 173.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 91.1 Cg_exo . . . . . 0 N--CA 1.493 1.457 0 N-CA-C 114.052 0.751 . . . . 74.13 114.052 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.5 m-20 -58.08 -43.19 86.88 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.774 1.229 . . . . 71.03 111.92 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.88 -33.07 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.867 0.467 . . . . 73.13 110.613 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -63.4 -39.13 93.67 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.604 -0.725 . . . . 74.3 109.952 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.8 mt -57.98 -41.76 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.34 1.056 . . . . 55.42 110.978 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -56.28 -40.42 74.22 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.048 0.842 . . . . 55.45 111.01 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.32 -39.72 78.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.721 0.809 . . . . 61.24 111.227 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -68.3 -27.43 66.3 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.409 -0.36 . . . . 74.54 110.523 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.95 -33.07 61.89 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 73.13 110.687 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 61.4 mttm -64.19 -46.64 83.06 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.16 0.584 . . . . 71.21 109.613 172.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.4 68.2 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 114.608 -1.178 . . . . 63.23 111.294 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.86 -49.95 40.46 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.254 1.022 . . . . 73.3 110.704 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.86 -31.32 64.65 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.962 -0.563 . . . . 53.31 111.247 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -70.72 -40.94 72.52 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 123.467 0.479 . . . . 73.14 109.989 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 26' ' ' LEU . . . -55.88 -42.05 75.37 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.276 -0.874 . . . . 51.23 111.143 173.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.94 -39.17 93.53 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.555 -1.202 . . . . 75.42 110.685 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.88 -40.24 94.7 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.805 0.842 . . . . 65.51 110.749 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.04 -7.21 59.51 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.096 -0.956 . . . . 52.55 111.345 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER 62.77 21.25 12.66 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.945 1.298 . . . . 73.35 111.39 -179.058 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.401 ' HB2' HD12 ' A' ' 26' ' ' LEU . 52.2 mt-30 -95.02 101.27 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.013 0.925 . . . . 43.35 109.255 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.04 -24.79 74.55 Favored Glycine 0 C--O 1.216 -0.987 0 CA-C-N 115.581 -0.736 . . . . 71.32 112.319 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.68 -44.15 73.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.98 0.912 . . . . 72.33 111.398 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 33.6 mt -73.83 -37.22 64.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.989 0.915 . . . . 62.21 110.626 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.37 -38.61 87.97 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.217 0.607 . . . . 73.12 111.156 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.57 84.57 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 111.002 -0.839 . . . . 61.25 111.002 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -62.57 -38.56 90.55 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.19 0.596 . . . . 70.44 110.564 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 34' ' ' ILE . . . -60.64 -52.45 65.08 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.91 0.756 . . . . 53.24 110.279 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 66.5 mt -66.76 -38.63 87.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.971 0.908 . . . . 71.02 111.2 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.75 -42.74 93.87 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.128 0.971 . . . . 65.14 110.365 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -69.97 -44.9 68.52 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.09 -0.959 . . . . 63.52 110.795 -179.363 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 30' ' ' ALA . 89.7 mt -59.52 -33.58 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 124.038 0.836 . . . . 53.34 110.208 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.03 -44.48 95.82 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.844 -0.616 . . . . 41.02 112.459 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.8 -34.41 78.29 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.307 0.643 . . . . 73.54 110.562 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.1 mm-40 -69.72 -38.45 76.9 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.349 0.66 . . . . 74.21 111.234 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HE2' HD13 ' A' ' 8' ' ' ILE . 5.3 mptp? -67.06 -43.38 82.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.092 0.557 . . . . 74.23 110.073 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.65 -41.99 96.08 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.067 0.854 . . . . 73.31 110.69 -173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.65 -24.19 58.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.268 0.627 . . . . 73.51 112.069 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.86 6.96 29.25 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.146 0.578 . . . . 64.21 111.625 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.96 8.16 84.63 Favored Glycine 0 C--N 1.351 1.393 0 O-C-N 123.126 0.266 . . . . 51.53 113.395 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -93.65 55.37 2.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.5 1.12 . . . . 64.35 108.728 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 80' ' ' LYS . 87.4 t -67.77 -32.21 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 113.778 -1.555 . . . . 73.12 111.901 -170.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -62.66 -43.94 97.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.904 0.481 . . . . 74.34 111.129 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -67.87 -42.07 81.88 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.75 -0.659 . . . . 64.44 109.69 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.71 67.66 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 124.486 1.116 . . . . 72.2 111.65 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 81' ' ' VAL . 88.6 mt -51.96 -54.08 15.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 124.598 1.186 . . . . 63.55 110.684 174.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 52' ' ' LEU . 45.5 mt-10 -64.86 -31.83 73.25 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.973 0.796 . . . . 73.45 111.701 -175.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 56.8 m-85 -70.84 -34.73 71.97 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.356 0.41 . . . . 64.2 111.283 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.2 -28.1 59.86 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.892 0.477 . . . . 75.51 110.583 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 92.8 mt -69.59 -47.89 62.01 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.132 -0.692 . . . . 73.54 109.132 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 57' ' ' VAL . 78.3 mtp180 -62.54 -52.5 63.2 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 114.07 -1.423 . . . . 75.12 109.993 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.05 70.22 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.42 1.075 . . . . 41.55 111.212 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.83 -51.19 70.62 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.742 1.277 . . . . 75.53 111.057 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.49 -33.25 74.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.693 0.797 . . . . 72.42 111.478 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 53' ' ' ARG . 94.6 t -74.16 -32.97 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 123.157 0.583 . . . . 73.33 109.585 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.01 -33.4 73.59 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.827 0.451 . . . . 75.12 110.509 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -67.39 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.141 0.577 . . . . 74.02 110.346 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.68 -31.71 69.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.765 . . . . 60.5 111.026 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -87.82 -12.6 44.49 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.593 0.757 . . . . 75.04 111.784 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 65.58 24.99 11.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.591 1.156 . . . . 45.32 111.546 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.78 83.71 6.47 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.11 -1.441 . . . . 62.14 107.11 171.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.54 -39.66 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 114.94 -1.027 . . . . 64.23 112.123 -170.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.48 -42.17 79.04 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.134 0.271 . . . . 53.53 111.29 -173.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.63 -38.37 90.09 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.453 0.47 . . . . 44.54 112.351 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.29 94.71 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.315 0.646 . . . . 54.11 110.965 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -71.35 -29.08 64.55 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.952 0.901 . . . . 74.33 111.495 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -75.3 -33.43 61.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.44 0.696 . . . . 73.03 110.065 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.86 74.46 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.638 -0.71 . . . . 74.31 110.088 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.11 65.63 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 124.085 0.866 . . . . 52.11 112.055 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -70.69 -44.22 67.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.362 0.665 . . . . 75.42 110.391 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -64.92 -29.82 70.78 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.153 -0.93 . . . . 73.21 110.877 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.642 0.777 . . . . 63.24 110.761 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.6 m -56.89 -43.87 81.73 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.694 0.621 . . . . 73.52 110.96 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.78 -40.04 78.9 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.371 1.468 . . . . 73.22 111.543 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.19 -43.5 61.3 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.531 0.733 . . . . 63.3 111.58 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.18 -26.13 64.54 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.544 0.738 . . . . 63.11 112.898 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -60.56 -42.79 97.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.819 0.818 . . . . 62.51 110.351 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HB2' HG11 ' A' ' 44' ' ' VAL . 84.8 mttt -79.29 -23.81 43.31 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.272 -1.331 . . . . 65.22 111.37 -175.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 48' ' ' ILE . 43.1 t . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 123.526 0.73 . . . . 54.51 110.223 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo . . . . . 0 N--CA 1.499 1.801 0 N-CA-C 114.986 1.11 . . . . 75.23 114.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.23 -36.37 77.12 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.676 0.79 . . . . 74.12 111.377 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.27 -29.49 61.69 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.295 0.638 . . . . 72.25 110.598 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -72.0 -29.65 64.43 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.771 0.828 . . . . 74.23 110.447 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.768 HG23 HG23 ' A' ' 34' ' ' ILE . 47.1 mt -67.54 -43.12 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.541 1.137 . . . . 74.33 109.92 173.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.62 79.55 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.905 0.753 . . . . 63.33 111.233 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -62.29 -45.9 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.031 0.932 . . . . 75.33 110.588 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -67.5 -27.9 67.38 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.372 0.669 . . . . 73.14 111.776 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -71.56 -33.1 68.81 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.36 0.664 . . . . 73.24 111.099 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.17 -45.9 68.86 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.514 -0.55 . . . . 72.03 109.514 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -29.39 70.79 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.419 0.687 . . . . 62.14 111.289 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -69.28 -44.36 72.02 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 115.934 -0.575 . . . . 74.35 110.306 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 30.0 mmmt -58.46 -40.68 83.31 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 123.258 0.349 . . . . 71.5 110.873 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -60.49 -46.98 88.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.136 0.574 . . . . 73.24 110.143 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.85 77.35 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.743 -1.117 . . . . 71.02 111.886 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.53 -37.26 63.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 44.33 111.407 -174.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 12.6 mm-40 -71.3 -24.74 62.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.594 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt -91.24 -8.24 48.98 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.552 0.741 . . . . 62.3 110.663 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.8 32.28 21.24 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 125.442 1.497 . . . . 72.14 111.053 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -92.14 89.13 6.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.201 -0.909 . . . . 60.34 109.012 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.89 -24.29 41.24 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 116.553 1.381 . . . . 51.14 116.553 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.59 -52.96 48.23 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 117.839 0.819 . . . . 72.23 109.654 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.72 -41.21 94.86 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.907 0.883 . . . . 73.34 111.555 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.511 ' HB2' HG11 ' A' ' 57' ' ' VAL . 80.7 mtp -67.19 -50.47 60.86 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.016 0.822 . . . . 74.03 110.697 -175.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.49 95.87 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 124.228 0.955 . . . . 74.33 112.441 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -61.45 -39.84 92.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.35 0.66 . . . . 54.32 111.383 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.62 60.69 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.712 0.633 . . . . 74.12 110.52 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 53' ' ' ARG . 32.5 mt -62.06 -37.75 86.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.861 0.864 . . . . 73.32 111.45 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.95 -44.18 90.25 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.617 0.767 . . . . 73.45 110.735 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 62.2 t30 -66.98 -42.31 85.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.379 1.071 . . . . 75.04 110.265 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.768 HG23 HG23 ' A' ' 8' ' ' ILE . 94.7 mt -57.82 -46.35 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.45 1.1 . . . . 55.14 110.179 174.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -40.97 99.39 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-N 115.103 -0.953 . . . . 61.31 112.288 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.4 mt -62.12 -41.89 98.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.162 0.585 . . . . 73.22 110.508 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 41.1 mm-40 -63.63 -44.78 92.89 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.202 0.601 . . . . 72.55 111.191 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 8' ' ' ILE . 71.1 mmtt -58.26 -41.35 84.06 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.866 0.866 . . . . 74.23 110.875 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.38 -29.19 66.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.092 0.957 . . . . 72.02 111.217 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 92.0 mttt -76.07 -35.74 59.26 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.589 0.756 . . . . 63.54 111.496 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ptm -96.24 12.31 31.42 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.441 0.696 . . . . 54.25 112.367 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.88 -3.06 81.61 Favored Glycine 0 N--CA 1.474 1.225 0 N-CA-C 114.48 0.552 . . . . 63.31 114.48 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.27 55.62 3.12 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.302 1.049 . . . . 61.23 109.654 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.41 -21.09 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 113.83 -1.532 . . . . 64.21 111.658 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -43.71 98.06 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.979 0.912 . . . . 74.13 110.291 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.97 -30.06 58.47 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.891 0.476 . . . . 65.32 110.468 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.3 75.18 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.95 0.781 . . . . 64.54 110.62 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.6 mt -54.05 -54.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.549 1.156 . . . . 71.22 110.566 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.18 -43.49 74.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 124.176 0.922 . . . . 72.54 111.027 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -74.12 -30.58 62.37 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.735 0.814 . . . . 75.3 113.029 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.75 -28.14 60.64 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.205 0.457 . . . . 75.41 110.131 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 93.9 mt -70.78 -42.6 70.15 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.745 -0.835 . . . . 71.12 108.745 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.619 ' HB3' HD13 ' A' ' 31' ' ' LEU . 95.3 mtt180 -65.1 -44.59 88.31 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.738 -1.119 . . . . 74.52 110.502 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.63 71.34 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.329 0.651 . . . . 74.12 110.783 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.07 -34.72 79.09 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.47 1.106 . . . . 51.32 110.253 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -58.85 -44.29 90.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 72.32 110.837 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 27' ' ' MET . 57.3 t -71.84 -36.93 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.357 -0.838 . . . . 75.12 110.498 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.8 -32.45 73.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.177 0.591 . . . . 72.44 111.521 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -75.42 -29.78 59.86 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.03 0.532 . . . . 75.32 110.066 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.56 0.744 . . . . 75.4 110.305 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.3 -15.36 55.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.365 0.666 . . . . 74.44 111.087 171.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 61.93 20.26 11.38 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.126 1.37 . . . . 72.14 111.699 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.94 97.79 10.43 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 123.872 0.869 . . . . 74.51 108.706 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 11.5 t -67.63 -31.74 71.96 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.634 -0.712 . . . . 75.31 111.527 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.03 -53.41 58.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.391 1.076 . . . . 62.4 111.312 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.29 -37.24 86.17 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 115.611 -0.722 . . . . 75.44 111.931 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.11 72.1 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.019 0.528 . . . . 72.33 111.869 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 64' ' ' THR . 94.0 mtt180 -70.38 -31.63 68.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.368 0.667 . . . . 62.43 110.646 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -67.47 -47.06 71.21 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.118 0.567 . . . . 61.32 109.715 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.97 -34.34 77.88 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.483 -0.781 . . . . 64.31 111.238 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.38 62.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.497 0.719 . . . . 64.51 111.2 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.41 -48.25 80.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.397 0.679 . . . . 50.5 109.727 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -69.56 -29.23 66.75 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.728 -1.124 . . . . 73.44 111.603 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.96 -42.28 99.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.264 0.626 . . . . 72.31 110.913 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.0 t -63.72 -39.91 95.46 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.157 0.583 . . . . 73.14 110.242 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.19 -34.81 78.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.335 1.054 . . . . 73.21 110.896 173.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.72 -47.03 56.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.906 0.882 . . . . 34.41 112.19 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.89 -34.13 75.47 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.944 0.498 . . . . 75.13 111.39 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.64 -36.68 72.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.445 0.698 . . . . 62.24 112.209 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.91 -29.92 26.75 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.587 0.755 . . . . 74.34 111.477 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 123.841 0.856 . . . . 35.03 112.594 -172.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 N--CA 1.492 1.389 0 N-CA-C 115.1 1.154 . . . . 74.23 115.1 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.1 p-10 -72.43 -32.36 66.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.975 0.51 . . . . 71.21 111.683 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.87 -37.33 78.99 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.34 109.936 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -66.44 -42.2 88.03 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.007 -0.997 . . . . 72.15 110.18 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.602 HD13 ' HE2' ' A' ' 38' ' ' LYS . 72.3 mt -54.73 -49.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.632 1.173 . . . . 72.31 110.483 173.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.11 73.64 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.883 0.739 . . . . 71.44 111.572 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -69.18 -47.18 65.6 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.129 0.972 . . . . 72.23 110.783 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.85 -24.98 64.42 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.753 0.821 . . . . 72.42 111.825 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 4.5 tm-20 -74.19 -37.04 64.05 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.281 1.032 . . . . 72.23 110.378 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.6 -39.24 73.92 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.861 -0.422 . . . . 72.42 109.861 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.36 70.58 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.531 -0.759 . . . . 74.52 111.249 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 46.6 t80 -66.87 -45.68 77.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.4 1.08 . . . . 65.3 111.111 174.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 97.5 mttt -65.59 -39.67 91.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.403 0.681 . . . . 71.01 111.074 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -66.76 -41.68 87.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.113 0.565 . . . . 55.45 110.407 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.77 76.77 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.773 1.229 . . . . 71.0 111.618 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -70.92 -34.43 71.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.774 1.23 . . . . 44.43 110.003 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 54.8 mt-10 -66.94 -38.17 85.66 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.723 0.809 . . . . 75.22 110.822 174.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.6 -12.66 59.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.2 -0.909 . . . . 73.11 111.78 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 t30 61.99 31.17 18.1 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.563 1.145 . . . . 64.43 110.803 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.454 ' HB2' HD12 ' A' ' 26' ' ' LEU . 46.7 mt-30 -105.08 98.76 8.42 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.217 -1.031 . . . . 72.02 108.217 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.74 -23.79 76.63 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.127 -0.942 . . . . 72.53 113.276 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.06 -40.13 80.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.097 0.559 . . . . 74.53 110.235 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' A' ' 23' ' ' GLN . 71.0 mt -72.64 -46.65 52.97 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.999 0.92 . . . . 72.01 110.368 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.0 mtm -61.38 -39.16 89.67 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.491 0.716 . . . . 73.22 112.108 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.17 -45.82 68.84 Favored Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.049 -0.978 . . . . 54.01 111.734 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.63 -30.94 71.97 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.628 0.771 . . . . 74.04 110.811 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.5 57.48 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.381 0.672 . . . . 72.31 110.779 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.48 -30.41 68.29 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.043 0.937 . . . . 74.13 111.708 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.73 -47.66 80.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.502 -0.772 . . . . 63.31 109.97 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.28 -40.96 98.83 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.62 0.768 . . . . 73.02 111.166 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 HG23 ' A' ' 8' ' ' ILE . 81.6 mt -60.15 -43.65 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.877 0.871 . . . . 72.11 110.363 175.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.29 -36.7 93.08 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.359 -0.837 . . . . 71.55 112.817 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 95.7 mt -63.92 -39.03 93.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.344 0.658 . . . . 64.33 110.438 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.813 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 29.6 mm-40 -66.01 -47.08 75.66 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.978 -0.555 . . . . 74.24 110.717 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HE2' HD13 ' A' ' 8' ' ' ILE . 71.3 mmtt -56.82 -41.87 78.6 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.988 0.915 . . . . 64.14 112.25 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -61.27 -40.44 94.13 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.062 0.945 . . . . 73.4 110.606 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 36.9 mtmt -65.42 -38.6 90.41 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.541 0.736 . . . . 71.51 110.569 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 79.8 mtp -73.46 -9.12 58.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.895 0.878 . . . . 64.13 111.776 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.09 -0.16 83.66 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 123.442 0.464 . . . . 71.34 112.02 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -87.88 55.74 3.6 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.562 1.145 . . . . 62.02 109.514 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.96 -25.63 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 113.769 -1.56 . . . . 74.33 110.793 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -59.89 -45.04 93.77 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.184 0.594 . . . . 74.24 109.83 174.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.217 -0.901 . . . . 72.52 110.433 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.07 73.23 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.686 0.795 . . . . 52.41 111.384 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 81' ' ' VAL . 95.3 mt -52.77 -52.25 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.059 1.344 . . . . 75.13 110.474 173.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.8 -34.19 76.76 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.053 0.845 . . . . 73.42 111.977 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.74 -36.44 65.15 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.98 0.512 . . . . 65.25 111.673 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.73 -27.98 62.37 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.48 0.488 . . . . 75.52 110.609 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.58 -45.01 63.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.228 0.611 . . . . 73.11 109.461 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 57' ' ' VAL . 95.5 mtt180 -59.74 -52.19 66.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.054 0.846 . . . . 64.32 109.348 173.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.55 72.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 124.265 0.978 . . . . 73.41 111.064 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.72 -36.16 83.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.075 0.95 . . . . 72.23 111.205 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -64.86 -42.06 95.18 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.87 0.868 . . . . 75.4 110.866 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' ARG . 90.4 t -71.58 -39.24 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-N 115.164 -0.926 . . . . 53.52 110.223 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.21 -33.36 75.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.517 0.727 . . . . 74.24 111.44 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.28 -38.76 92.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.988 0.915 . . . . 75.35 109.871 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.27 72.37 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.212 -0.904 . . . . 62.42 111.179 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.43 -15.43 60.91 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.31 0.644 . . . . 71.21 111.566 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.1 m170 61.24 27.77 17.44 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.562 1.145 . . . . 54.11 110.97 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -82.63 90.52 6.83 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.951 -1.129 . . . . 61.01 107.951 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.01 -27.85 69.7 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.042 -0.981 . . . . 75.35 112.449 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 29.2 t70 -68.46 -44.59 74.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.191 0.596 . . . . 73.34 110.958 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.67 -35.21 51.82 Favored Glycine 0 C--N 1.334 0.445 0 O-C-N 124.043 0.839 . . . . 63.15 112.216 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.02 97.46 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.049 0.54 . . . . 64.11 110.701 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 37.8 ptt85 -72.71 -30.98 64.66 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.197 0.599 . . . . 73.15 111.023 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 12.8 ttt180 -68.81 -48.96 62.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.873 1.269 . . . . 74.33 110.02 -174.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.62 66.08 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 114.262 -1.336 . . . . 73.35 110.675 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.49 86.04 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.513 0.725 . . . . 73.12 111.883 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -73.18 -41.77 63.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.618 -0.719 . . . . 74.31 109.809 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -67.2 -28.65 68.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.527 0.731 . . . . 62.34 111.402 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.24 -51.12 70.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.512 0.725 . . . . 74.53 110.011 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -56.74 -45.01 82.22 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 124.134 0.896 . . . . 74.21 110.776 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -33.22 75.03 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.389 1.476 . . . . 52.11 111.496 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 -47.54 35.57 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.573 0.749 . . . . 62.44 110.462 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -57.98 -24.83 59.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.443 0.697 . . . . 73.22 112.284 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -55.86 -43.12 76.8 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.102 0.961 . . . . 64.13 111.72 176.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -72.62 -32.58 66.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.867 0.867 . . . . 75.44 110.445 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG21 HD11 ' A' ' 48' ' ' ILE . 61.6 t . . . . . 0 CA--C 1.552 1.035 0 C-N-CA 123.962 0.905 . . . . 74.45 110.751 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 N--CA 1.492 1.408 0 CA-C-O 120.726 0.219 . . . . 74.51 112.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.71 -37.04 77.77 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.636 1.175 . . . . 74.33 111.888 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -61.85 -42.68 99.34 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.107 0.563 . . . . 74.45 110.726 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -68.75 -40.65 79.7 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.406 0.682 . . . . 65.22 110.122 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.43 -36.31 58.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.305 1.042 . . . . 71.0 110.724 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.75 76.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.663 0.785 . . . . 71.01 111.86 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -70.6 -35.34 72.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.111 0.564 . . . . 74.32 110.322 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.67 -27.25 60.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.167 0.587 . . . . 43.34 111.31 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.94 -38.13 61.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.669 0.787 . . . . 73.21 109.76 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -36.27 74.43 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.285 -0.635 . . . . 65.02 109.285 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.91 78.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.106 0.562 . . . . 34.42 110.581 174.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.72 -47.24 78.99 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.644 0.778 . . . . 73.42 109.781 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 72.0 mmtt -70.52 -32.74 70.32 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.19 0.931 . . . . 74.31 111.768 -177.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -67.08 -46.28 74.75 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.542 0.526 . . . . 74.01 109.621 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.75 -27.21 67.42 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.185 -0.916 . . . . 65.02 111.809 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.08 -35.44 59.38 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.429 1.091 . . . . 61.23 111.106 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 32.2 mm-40 -71.81 -32.68 67.83 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.341 -0.39 . . . . 74.34 110.578 175.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.15 -16.02 51.29 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.667 0.787 . . . . 64.53 110.66 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.37 27.57 15.56 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.859 1.664 . . . . 75.05 111.904 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -73.44 95.68 2.26 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.555 -0.905 . . . . 50.21 108.555 173.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -53.48 40.22 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 124.416 1.073 . . . . 43.22 113.499 -172.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG3' ' HE1' ' A' ' 58' ' ' PHE . 32.6 tt0 -52.79 -46.7 67.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.054 0.942 . . . . 70.52 111.582 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -40.11 94.68 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.017 0.823 . . . . 63.25 110.003 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 56.1 mtm -61.57 -40.95 96.6 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.734 -0.666 . . . . 75.33 111.247 175.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.91 97.15 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.531 0.519 . . . . 74.31 111.838 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 87.0 mtt-85 -64.7 -38.47 91.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.27 0.628 . . . . 74.51 110.515 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.02 83.69 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.336 1.022 . . . . 73.42 110.897 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.94 -38.9 92.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.949 0.9 . . . . 63.33 111.105 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.91 -43.57 98.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.103 0.961 . . . . 72.54 110.323 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -65.24 -42.61 93.16 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.734 0.813 . . . . 73.35 111.127 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.88 -44.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.325 0.65 . . . . 75.34 109.857 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.13 98.29 Favored Glycine 0 C--N 1.348 1.227 0 O-C-N 124.38 1.05 . . . . 51.21 113.18 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.44 -40.9 88.28 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.126 0.57 . . . . 72.42 110.666 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 19.1 mt-10 -80.82 -27.05 36.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.51 0.724 . . . . 72.12 112.63 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.59 -40.35 96.73 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.118 -0.697 . . . . 73.41 109.118 170.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.417 ' HA ' HG22 ' A' ' 44' ' ' VAL . 47.2 t-20 -62.07 -48.89 78.17 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 114.566 -1.197 . . . . 75.01 111.159 -177.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 15.1 ptmt -68.83 -20.59 64.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.486 0.55 . . . . 64.23 112.486 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 72.6 mtm -80.59 -18.09 49.35 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.466 0.306 . . . . 72.35 111.732 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.97 1.91 67.02 Favored Glycine 0 N--CA 1.47 0.915 0 N-CA-C 111.967 -0.453 . . . . 71.51 111.967 -172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.56 54.15 2.43 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.176 -1.046 . . . . 71.14 108.176 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 39' ' ' ASN . 3.9 t -76.85 -22.37 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.37 -1.286 . . . . 60.41 110.878 -170.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -57.88 -45.61 86.14 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.541 0.336 . . . . 61.43 110.18 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.72 -45.38 93.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.684 -0.689 . . . . 64.3 110.19 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.55 70.74 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 124.01 0.924 . . . . 43.01 111.796 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.8 mt -56.96 -52.35 56.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.541 0 O-C-N 124.483 1.114 . . . . 70.24 110.026 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.6 -31.91 73.34 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.919 0.762 . . . . 75.02 111.707 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.68 -35.93 67.78 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.658 0.383 . . . . 74.14 111.101 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.57 -29.25 63.37 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 123.58 0.55 . . . . 73.43 109.912 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.6 mt -73.07 -44.44 60.59 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.324 0.65 . . . . 61.43 110.365 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 57' ' ' VAL . 26.7 mtp180 -66.39 -44.58 82.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.524 0.73 . . . . 75.12 109.4 178.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.22 70.83 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 123.999 0.812 . . . . 75.43 110.925 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.62 -45.61 85.15 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 124.432 1.082 . . . . 63.52 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -59.85 -38.22 81.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.4 1.062 . . . . 74.11 110.991 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.4 t -68.98 -43.74 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.775 -0.648 . . . . 74.02 109.83 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HE1' ' HG3' ' A' ' 25' ' ' GLU . 50.9 m-85 -64.4 -26.95 68.68 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.905 0.482 . . . . 75.22 111.818 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.47 -35.22 75.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.423 0.689 . . . . 64.25 109.726 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.02 -36.42 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.961 0.904 . . . . 51.22 110.989 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 25.6 mm-40 -76.48 -15.85 59.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.971 0.908 . . . . 72.33 111.185 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.7 m80 66.01 21.45 11.28 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 124.652 1.181 . . . . 54.3 111.663 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.7 88.01 7.06 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.734 -0.839 . . . . 65.41 108.734 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -59.92 -32.22 70.56 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.926 0.89 . . . . 54.23 111.582 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.04 -51.46 69.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.071 0.948 . . . . 72.23 110.42 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.49 -37.3 78.45 Favored Glycine 0 C--N 1.354 1.583 0 O-C-N 123.865 0.728 . . . . 63.24 113.218 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.997 0.519 . . . . 71.24 110.692 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.07 -29.06 67.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.045 -0.979 . . . . 71.02 111.396 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -65.31 -44.76 86.84 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.542 0.737 . . . . 74.14 110.737 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.65 78.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.718 -0.674 . . . . 55.41 110.691 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -68.73 -26.85 65.46 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.698 0.799 . . . . 72.21 112.369 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -68.88 -43.21 75.77 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.727 0.811 . . . . 65.44 109.741 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -69.2 -30.93 69.22 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 114.876 -1.056 . . . . 62.44 110.955 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 71' ' ' ALA . 28.1 mt -62.1 -45.74 92.16 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.774 0.83 . . . . 65.13 111.049 172.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 t -57.59 -37.42 73.17 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.132 0.895 . . . . 61.11 111.258 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -78.27 -37.63 44.58 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.042 0.937 . . . . 74.33 111.565 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.18 93.83 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.51 0.724 . . . . 62.31 111.383 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -66.76 -24.91 66.27 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.442 0.697 . . . . 42.43 112.302 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -67.67 -42.36 82.28 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.471 0.308 . . . . 61.22 111.196 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -83.09 -32.39 26.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.228 -0.442 . . . . 74.32 111.924 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 122.974 0.51 . . . . 74.34 109.861 178.075 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo . . . . . 0 N--CA 1.497 1.704 0 N-CA-C 114.662 0.985 . . . . 72.33 114.662 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.449 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 21.6 t70 -60.35 -47.8 84.47 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.711 0.805 . . . . 64.45 111.376 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.6 -31.34 57.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.775 -1.102 . . . . 41.31 110.291 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -68.62 -26.88 65.58 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.592 1.157 . . . . 63.23 111.132 -173.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 4' ' ' PRO . 96.7 mt -52.61 -41.59 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.527 1.131 . . . . 64.41 111.608 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.75 65.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.683 0.793 . . . . 74.23 112.456 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -65.3 -46.46 80.25 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 63.13 110.418 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.14 -24.87 62.35 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.605 0.762 . . . . 72.04 111.989 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.09 -39.72 86.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.473 0.709 . . . . 72.21 110.101 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -76.36 -32.8 58.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.493 -0.776 . . . . 73.33 110.457 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.46 78.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.112 0.565 . . . . 71.45 109.79 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.36 -45.53 79.82 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 115.14 -0.936 . . . . 65.21 109.945 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 19' ' ' GLU . 58.6 mttm -74.05 -24.17 59.49 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.739 0.649 . . . . 73.53 112.615 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -74.44 -35.08 63.35 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.203 -1.036 . . . . 63.25 108.203 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.6 75.53 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.596 -0.729 . . . . 32.4 111.249 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 37.1 tt0 -77.01 -39.25 50.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.732 1.613 . . . . 73.24 111.652 -173.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 9.3 pt-20 -62.55 -32.85 73.87 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.051 0.453 . . . . 72.12 110.206 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 59.6 mt -90.42 -17.81 26.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.844 0.858 . . . . 74.02 110.696 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.3 m120 60.02 27.92 17.39 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.648 1.179 . . . . 70.14 112.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.502 ' HG2' ' HB2' ' A' ' 21' ' ' LEU . 18.6 mm-40 -57.05 -72.66 0.08 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.742 0.817 . . . . 74.31 111.568 -172.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.08 -92.15 0.15 Allowed Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.393 -0.821 . . . . 63.01 111.499 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 6.8 pt-20 -56.03 -31.05 62.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.061 0.944 . . . . 64.24 112.895 -166.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.96 -46.42 89.47 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.896 0.878 . . . . 61.34 110.724 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.9 mtm -59.92 -43.98 94.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.73 0.412 . . . . 75.25 110.099 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.89 93.79 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.671 0.607 . . . . 71.31 112.92 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 65.1 mtt-85 -68.79 -42.95 76.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.755 0.822 . . . . 75.22 110.003 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.49 -51.77 67.27 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.254 0.971 . . . . 64.22 110.211 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 43.8 mt -55.55 -48.42 74.77 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.574 1.171 . . . . 64.43 110.792 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HE1' ' HA ' ' A' ' 70' ' ' ALA . 72.8 t80 -59.12 -45.83 89.89 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.534 0.734 . . . . 73.12 111.016 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.1 m-20 -67.35 -40.62 85.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.565 0.746 . . . . 72.42 111.328 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.448 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 84.9 mt -61.92 -41.9 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.046 0.539 . . . . 60.2 109.77 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.44 -38.02 95.08 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-N 115.222 -0.899 . . . . 72.14 111.814 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 96.0 mt -61.74 -45.77 92.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.081 0.553 . . . . 74.52 109.688 174.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 13.3 mm-40 -59.12 -41.15 87.51 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 123.801 0.688 . . . . 74.34 110.874 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 75.8 mmtt -62.53 -48.67 78.49 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.87 -0.604 . . . . 63.34 110.128 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -61.14 -33.62 73.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.378 1.071 . . . . 64.35 111.175 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 87.8 mttt -67.39 -39.47 85.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.864 0.866 . . . . 43.41 110.659 175.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.449 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 78.0 mtm -79.53 -6.28 56.66 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.726 0.81 . . . . 73.1 112.271 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.2 12.4 82.35 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 112.774 -0.13 . . . . 72.33 112.774 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.82 55.28 2.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.771 1.229 . . . . 74.44 109.287 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 48' ' ' ILE . 32.6 t -68.81 -25.64 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 123.578 0.751 . . . . 52.25 111.778 -169.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HE3' HG13 ' A' ' 81' ' ' VAL . 48.6 mmtm -62.7 -47.23 84.51 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.235 0.614 . . . . 73.3 110.937 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.39 -39.91 89.34 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.155 -0.929 . . . . 63.14 109.575 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.26 -46.63 72.7 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.058 0.943 . . . . 64.42 111.488 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.708 HD11 HG21 ' A' ' 81' ' ' VAL . 81.5 mt -52.96 -53.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 124.481 1.113 . . . . 62.31 110.494 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -39.23 66.35 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 124.378 1.049 . . . . 54.25 112.438 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 65.3 m-85 -73.42 -39.81 64.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.08 0.552 . . . . 71.54 111.934 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.16 -27.88 64.89 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.777 0.431 . . . . 73.13 110.897 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 85.5 mt -68.36 -48.84 63.72 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.114 -0.698 . . . . 64.15 109.114 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.6 mtt85 -69.3 -34.14 74.24 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.112 -1.404 . . . . 75.22 110.857 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.35 -50.48 67.6 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.136 0.574 . . . . 73.31 110.155 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.32 -41.47 93.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 114.94 -1.027 . . . . 74.32 110.668 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -44.68 94.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.723 1.209 . . . . 43.41 111.503 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 53' ' ' ARG . 66.4 t -65.84 -51.95 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.553 -0.748 . . . . 73.41 110.398 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -58.98 -36.01 74.16 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.623 0.577 . . . . 70.01 111.368 177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.27 -39.9 89.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.406 0.683 . . . . 54.01 110.67 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.64 75.06 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.768 0.667 . . . . 72.24 111.32 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -87.29 -9.33 55.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.383 1.073 . . . . 74.24 111.722 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 66.78 29.05 8.7 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.838 1.255 . . . . 62.31 111.079 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.69 98.48 6.24 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.445 -1.317 . . . . 73.13 107.445 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.3 t -64.1 -40.81 97.02 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.986 -1.006 . . . . 70.33 111.865 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.86 -55.99 26.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.746 0.418 . . . . 72.11 110.54 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.22 -34.46 75.39 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 124.797 1.31 . . . . 53.12 114.632 -170.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.81 70.62 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.902 -0.407 . . . . 54.24 109.902 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -69.56 -28.88 66.36 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.795 0.838 . . . . 74.53 111.082 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -69.41 -42.27 75.26 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.175 1.39 . . . . 61.23 110.519 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HA ' ' HE1' ' A' ' 32' ' ' TYR . . . -69.71 -38.61 77.0 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 114.881 -1.054 . . . . 65.4 110.011 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.23 71.18 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 124.061 0.851 . . . . 25.33 111.676 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -71.98 -45.97 59.04 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.319 1.048 . . . . 73.53 110.609 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -69.5 -30.04 67.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.37 -0.832 . . . . 43.15 110.121 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.64 -37.01 83.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.791 0.836 . . . . 75.21 111.298 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -64.2 -34.21 77.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.55 0.34 . . . . 74.13 110.952 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.447 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 58.1 mm-40 -70.68 -47.79 58.1 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.942 0.497 . . . . 63.14 110.657 170.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.0 73.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.111 0.964 . . . . 72.55 112.147 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -62.61 -33.89 75.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.183 0.993 . . . . 74.14 112.446 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.59 -47.0 77.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.267 -0.642 . . . . 75.12 109.267 175.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 76' ' ' GLU . 49.4 mttm -68.85 -20.42 64.29 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.374 0.67 . . . . 62.24 111.432 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 48' ' ' ILE . 39.0 t . . . . . 0 N--CA 1.475 0.806 0 C-N-CA 124.576 1.15 . . . . 72.25 111.243 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 N--CA 1.496 1.637 0 N-CA-C 114.003 0.732 . . . . 43.31 114.003 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 8' ' ' ILE . 32.6 t70 -65.88 -38.04 87.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.63 0.772 . . . . 73.44 111.566 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.13 -37.46 87.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.893 0.477 . . . . 72.44 110.377 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -69.88 -33.24 71.96 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 115.705 -0.679 . . . . 71.42 111.155 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 34' ' ' ILE . 58.1 mt -52.72 -50.93 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.212 0.605 . . . . 73.05 110.143 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.39 79.69 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 124.314 1.009 . . . . 74.34 111.329 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 84.3 tttt -66.2 -38.63 88.45 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.636 0.774 . . . . 74.14 111.449 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -75.75 -24.92 56.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.338 0.655 . . . . 65.13 110.602 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 50.0 mt-10 -70.7 -31.64 68.57 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.606 0.763 . . . . 74.33 110.772 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 26.8 mtpp -63.68 -42.39 98.05 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.411 0.684 . . . . 65.21 109.445 172.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.24 -29.55 66.38 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.251 -0.886 . . . . 55.51 111.26 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -68.86 -45.72 70.34 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.164 0.986 . . . . 71.35 111.232 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mmtp -76.41 -31.99 58.26 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.468 -0.787 . . . . 71.3 111.019 -176.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.51 -43.27 85.75 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.774 -0.454 . . . . 74.44 109.774 172.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.284 1.033 . . . . 54.1 111.222 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.316 1.046 . . . . 62.11 110.731 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 28.6 mm-40 -70.0 -31.56 69.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.001 0.52 . . . . 61.34 111.17 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.78 -13.77 59.79 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.304 0.642 . . . . 74.02 110.603 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 m120 62.81 30.62 16.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.651 1.18 . . . . 73.53 111.086 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.429 ' HB2' HD12 ' A' ' 26' ' ' LEU . 73.7 mt-30 -110.4 105.73 14.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.303 -0.999 . . . . 74.14 108.303 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.65 -37.88 92.81 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.321 -0.854 . . . . 71.03 113.27 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.53 -36.74 69.56 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.518 0.727 . . . . 64.23 111.401 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 23' ' ' GLN . 78.2 mt -66.48 -43.25 85.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.998 0.919 . . . . 73.03 110.655 174.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.0 mtm -64.49 -35.22 80.22 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.622 0.769 . . . . 71.11 111.203 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.52 -45.97 80.86 Favored Glycine 0 C--N 1.347 1.152 0 N-CA-C 110.934 -0.866 . . . . 53.15 110.934 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.32 -35.25 76.86 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.537 0.735 . . . . 72.13 110.715 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.55 57.31 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.656 0.782 . . . . 43.14 111.031 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 96.3 mt -63.3 -36.36 83.42 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.627 0.771 . . . . 62.14 110.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 66.5 t80 -58.83 -49.76 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.466 1.106 . . . . 73.44 110.829 176.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 85.7 m-20 -66.19 -37.63 86.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.681 0.792 . . . . 65.43 111.281 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 8' ' ' ILE . 95.1 mt -59.72 -43.16 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.776 0.83 . . . . 51.53 110.013 173.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.43 89.57 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 114.967 -1.015 . . . . 74.33 112.514 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.79 -38.77 92.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.106 0.562 . . . . 65.52 110.547 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 27.2 mm-40 -70.76 -40.79 72.47 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.883 0.74 . . . . 72.42 110.677 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 8' ' ' ILE . 73.8 mmtt -59.77 -45.12 93.25 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.144 0.577 . . . . 72.54 110.142 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.91 -44.04 97.16 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.533 1.133 . . . . 72.25 110.836 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -74.66 -21.11 59.59 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.16 0.584 . . . . 71.51 111.605 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.6 mtp -84.32 -0.86 54.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.57 0.748 . . . . 73.23 111.706 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.54 1.98 90.56 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.276 0.36 . . . . 62.13 112.993 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -93.28 56.0 2.39 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.844 1.258 . . . . 64.14 108.702 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.2 t -65.53 -25.44 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 CA-C-N 113.217 -1.811 . . . . 73.22 111.311 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' HG13 ' A' ' 81' ' ' VAL . 34.6 mmtp -63.48 -51.9 63.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.205 0.602 . . . . 74.02 111.091 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.02 -32.71 74.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.043 0.839 . . . . 73.34 110.774 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.67 72.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.772 0.829 . . . . 60.31 110.903 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.35 -46.11 81.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 124.884 1.274 . . . . 62.53 110.702 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -53.89 -45.51 71.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.327 1.017 . . . . 61.01 110.928 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 40.6 m-85 -73.62 -32.01 63.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.366 -0.834 . . . . 75.02 112.731 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -74.7 -28.67 60.91 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.301 0.375 . . . . 73.14 110.444 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -75.41 -41.38 56.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.464 0.706 . . . . 63.51 109.618 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 57' ' ' VAL . 72.1 mtt85 -70.62 -35.92 73.19 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.125 -0.943 . . . . 71.11 110.562 175.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.65 68.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.255 0.622 . . . . 62.13 110.146 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.64 -34.96 79.43 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 124.578 1.174 . . . . 63.23 110.691 -178.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.95 -47.66 77.19 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.627 0.771 . . . . 55.33 110.923 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 53' ' ' ARG . 25.2 t -70.57 -34.42 57.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.743 -0.662 . . . . 75.14 110.127 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.76 -37.82 87.39 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.123 0.569 . . . . 71.15 111.338 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.47 -33.16 72.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.408 0.683 . . . . 62.12 109.677 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.37 85.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.597 0.759 . . . . 71.14 110.637 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.85 -14.0 58.99 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.739 0.816 . . . . 72.14 111.831 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.8 m80 68.97 22.66 6.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.96 1.304 . . . . 73.13 110.463 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -88.42 101.5 13.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.538 1.135 . . . . 63.25 109.309 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.172 0.589 . . . . 75.25 111.777 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.81 -47.18 78.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.542 0.737 . . . . 71.31 110.734 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.78 -32.04 61.75 Favored Glycine 0 C--N 1.339 0.742 0 O-C-N 124.142 0.901 . . . . 51.01 112.734 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.4 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.738 0.415 . . . . 72.5 110.412 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.31 -35.11 66.02 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.227 1.011 . . . . 64.04 110.856 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.5 tpp180 -60.17 -46.23 90.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.952 0.901 . . . . 72.45 109.487 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.25 84.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 114.646 -1.161 . . . . 74.05 110.866 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.274 0.842 . . . . 71.23 113.274 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -75.61 -40.18 56.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.391 0.676 . . . . 75.5 109.585 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.6 m -70.55 -29.71 66.25 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.416 -0.811 . . . . 62.41 111.073 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -69.86 -42.91 72.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.892 0.877 . . . . 70.35 110.555 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 31.2 t -60.01 -41.79 92.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.909 0.755 . . . . 62.5 110.113 -177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 43.4 mt-10 -65.03 -45.46 85.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.657 0.598 . . . . 74.01 111.268 171.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.58 79.73 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.112 0.882 . . . . 61.33 111.339 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -66.53 -32.46 73.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.97 0.908 . . . . 72.31 111.652 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 75' ' ' SER . 77.1 mt-30 -62.61 -44.03 97.33 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.374 0.67 . . . . 74.32 110.912 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 44.7 mttm -72.46 -36.54 68.51 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.803 0.841 . . . . 65.1 110.327 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 45' ' ' LYS . 5.1 t . . . . . 0 N--CA 1.481 1.082 0 C-N-CA 124.802 1.241 . . . . 73.11 111.342 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HA ' HD22 ' A' ' 7' ' ' ASN . 98.4 Cg_exo . . . . . 0 CA--C 1.545 1.052 0 N-CA-C 113.298 0.461 . . . . 73.13 113.298 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.82 -47.17 86.31 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.212 1.005 . . . . 73.34 111.012 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.76 -27.29 61.93 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.888 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 4' ' ' PRO . 83.4 m-20 -66.65 -38.76 87.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.011 0.524 . . . . 72.32 109.822 177.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.87 -38.33 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.141 0.976 . . . . 73.33 110.666 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.19 82.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.356 0.662 . . . . 74.24 111.312 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.04 -47.45 82.96 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.472 0.653 . . . . 63.53 109.788 172.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -70.68 -21.3 62.6 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.783 -1.099 . . . . 55.32 111.404 -174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.72 -42.15 97.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.862 0.865 . . . . 65.34 110.913 171.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -37.73 88.1 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.231 -0.655 . . . . 44.43 109.231 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.46 91.16 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.656 0.598 . . . . 63.23 111.497 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -74.29 -49.95 20.93 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.603 0.761 . . . . 64.45 111.362 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.11 -32.83 63.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.543 0.737 . . . . 74.01 111.503 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 56.8 tttp -78.3 -28.45 47.46 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 110.199 -0.297 . . . . 41.31 110.199 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.17 94.97 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.351 0.596 . . . . 73.21 110.027 169.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.93 -43.28 75.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.982 1.313 . . . . 71.41 111.576 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 14.5 pt-20 -67.15 -30.23 70.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 120.832 0.348 . . . . 64.32 110.606 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.76 -9.08 59.06 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.77 0.828 . . . . 74.11 111.531 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.59 21.25 9.49 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.337 1.455 . . . . 72.52 111.528 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.82 101.83 13.5 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.849 -0.797 . . . . 70.45 108.849 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.07 91.56 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 114.856 -1.065 . . . . 74.03 113.083 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -54.16 -41.13 68.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.591 0.756 . . . . 52.35 111.935 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.81 -37.58 67.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.966 0.906 . . . . 74.34 110.854 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.47 -41.11 93.72 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.557 0.536 . . . . 55.13 110.764 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.89 96.74 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.96 0.787 . . . . 72.22 111.474 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -56.45 -44.86 80.89 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.236 0.614 . . . . 64.0 110.408 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.94 73.09 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.235 0.959 . . . . 62.14 111.692 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.14 -46.34 87.67 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.136 0.974 . . . . 74.23 111.446 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -56.16 -47.13 78.82 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.271 0.982 . . . . 73.42 110.322 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.1 t30 -69.0 -37.46 78.72 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.602 -1.181 . . . . 73.13 110.898 -173.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.0 -37.34 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.978 0.911 . . . . 74.4 110.007 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.94 -37.29 94.68 Favored Glycine 0 C--N 1.343 0.944 0 O-C-N 123.891 0.744 . . . . 55.32 112.37 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.93 -37.61 87.7 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.984 0.514 . . . . 63.1 110.299 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 7.1 mm-40 -73.1 -36.25 66.74 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.763 -0.653 . . . . 63.24 110.908 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.86 -42.4 85.75 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.949 0.499 . . . . 72.02 110.028 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.89 -45.15 95.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.041 0.936 . . . . 63.41 110.131 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -76.33 -22.05 55.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.492 0.717 . . . . 62.43 112.004 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.4 mtp -80.98 2.42 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.429 0.691 . . . . 74.52 111.639 173.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.77 78.34 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 122.794 0.235 . . . . 73.21 112.802 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -85.19 58.26 4.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.593 1.157 . . . . 52.14 110.247 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 80' ' ' LYS . 46.8 t -71.05 -30.34 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.691 0.796 . . . . 70.21 111.186 -173.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HE2' HG22 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -71.0 -40.58 71.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.112 0.565 . . . . 62.53 109.941 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.25 -43.0 99.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.598 0.759 . . . . 64.52 109.907 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.6 91.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.042 0.937 . . . . 72.22 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.1 mt -53.63 -50.94 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.301 1.04 . . . . 73.21 109.983 175.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.52 -35.05 75.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.624 0.769 . . . . 64.31 111.463 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.37 -40.64 77.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.957 0.503 . . . . 70.23 111.478 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.53 -29.99 65.39 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.381 0.426 . . . . 73.41 110.405 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 81.9 mt -70.26 -46.36 64.54 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.832 0.853 . . . . 64.21 109.638 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' VAL . 82.3 mtp180 -63.72 -48.59 76.44 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 124.082 0.864 . . . . 62.12 109.651 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.55 72.43 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.971 0.908 . . . . 72.13 110.821 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.92 -42.39 90.18 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.141 -0.936 . . . . 73.15 110.499 -177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -61.81 -37.2 83.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.949 0.9 . . . . 42.4 110.906 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 53' ' ' ARG . 94.7 t -71.89 -40.18 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.291 -0.868 . . . . 65.11 110.051 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -64.16 -33.03 74.85 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.462 0.705 . . . . 74.15 110.888 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -66.73 -40.68 88.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.879 0.872 . . . . 73.14 109.323 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -27.36 64.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.363 -0.835 . . . . 74.55 111.364 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -80.31 -11.8 59.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.714 0.806 . . . . 54.1 111.048 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 64.09 24.98 13.65 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.036 0.934 . . . . 55.12 110.838 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.38 100.82 12.54 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.902 1.281 . . . . 35.4 108.587 175.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 t -73.37 -31.28 63.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.349 -0.842 . . . . 75.04 110.654 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.0 -50.66 72.88 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.244 1.018 . . . . 63.13 111.014 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.93 -36.15 61.21 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 115.374 -0.83 . . . . 62.21 112.568 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.52 94.06 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.962 0.448 . . . . 72.24 111.198 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -74.03 -32.08 63.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.552 1.141 . . . . 74.2 111.448 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttp-105 -68.42 -38.34 81.14 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 73.32 110.257 176.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.51 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.226 -0.897 . . . . 71.0 110.22 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.9 74.37 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.952 0.901 . . . . 73.31 111.505 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.39 -44.74 78.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.352 0.661 . . . . 75.24 110.019 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 t -68.26 -33.93 75.26 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.412 -0.813 . . . . 63.35 110.355 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.4 -38.58 91.71 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.599 -0.728 . . . . 71.43 111.034 172.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.46 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 26.0 t -61.08 -37.27 82.09 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.132 0.573 . . . . 75.4 110.057 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.62 -40.29 61.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.67 0.788 . . . . 73.32 111.0 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.66 88.05 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.559 0.744 . . . . 63.1 111.531 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.889 0.476 . . . . 74.11 110.8 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 75' ' ' SER . 74.9 mt-30 -59.47 -36.38 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.34 0.59 . . . . 74.14 111.016 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HB2' HG11 ' A' ' 44' ' ' VAL . 93.4 mttt -82.67 -6.62 59.47 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.607 -1.179 . . . . 71.43 111.831 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.424 HG22 ' HE2' ' A' ' 45' ' ' LYS . 86.1 t . . . . . 0 CA--C 1.549 0.934 0 C-N-CA 123.831 0.853 . . . . 73.12 109.456 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 N--CA 1.496 1.646 0 N-CA-C 115.794 1.421 . . . . 75.45 115.794 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 t70 -69.81 -23.3 63.3 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.286 0.476 . . . . 74.31 112.286 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.19 -36.88 61.38 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.051 0.54 . . . . 74.35 109.689 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.586 -0.734 . . . . 64.15 109.714 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 5' ' ' ASP . 80.1 mt -60.7 -42.23 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.547 1.139 . . . . 74.34 111.589 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -31.59 67.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.263 0.625 . . . . 74.22 111.229 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -75.17 -44.15 48.36 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.057 0.943 . . . . 71.25 110.72 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.65 -24.88 64.59 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.633 0.773 . . . . 75.45 111.612 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -41.74 47.69 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.839 1.255 . . . . 64.41 108.284 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -68.95 -32.39 71.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.557 -0.747 . . . . 71.11 110.307 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.12 61.3 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.024 0.929 . . . . 64.14 110.71 175.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.59 -46.39 63.54 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.981 0.912 . . . . 53.22 110.056 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.4 mmtm -65.47 -35.36 80.68 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.196 0.935 . . . . 73.4 111.196 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -67.15 -46.5 73.87 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.075 0.95 . . . . 74.35 109.77 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.36 75.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.605 1.162 . . . . 54.2 111.256 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.18 -35.76 66.45 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.872 1.269 . . . . 74.41 109.464 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 44.0 mm-40 -63.25 -38.27 90.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.15 0.58 . . . . 71.03 110.706 174.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.65 -15.24 59.32 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.063 -0.971 . . . . 74.03 111.34 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.85 24.5 14.6 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.996 1.318 . . . . 62.15 110.464 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.406 ' HB2' HD12 ' A' ' 26' ' ' LEU . 79.0 mt-30 -96.87 99.85 11.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.905 . . . . 74.44 109.397 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.84 -22.63 78.69 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 115.148 -0.933 . . . . 64.21 114.728 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.32 -47.45 86.0 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.241 -0.651 . . . . 64.31 109.241 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' A' ' 23' ' ' GLN . 96.8 mt -62.46 -45.27 93.82 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.712 -1.131 . . . . 71.41 110.894 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -62.43 -40.58 97.03 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.545 0.738 . . . . 74.14 111.816 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.62 75.49 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.234 -0.894 . . . . 54.03 111.36 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.19 -31.73 73.05 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.611 0.765 . . . . 54.33 110.691 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.31 66.32 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.612 0.765 . . . . 32.41 110.27 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.27 -33.41 75.26 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.004 0.922 . . . . 64.55 111.621 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 45.8 t80 -65.84 -45.05 83.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.493 0.717 . . . . 73.02 109.079 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 93.9 m-20 -66.13 -45.33 81.44 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.98 0.8 . . . . 73.11 111.006 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 90.4 mt -56.2 -41.67 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.338 0.655 . . . . 54.42 109.75 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.32 89.04 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.092 0.87 . . . . 64.15 112.717 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 90.0 mt -59.54 -37.32 78.09 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.585 0.754 . . . . 63.45 110.311 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 25.7 mm-40 -66.84 -47.91 70.49 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.029 0.831 . . . . 75.42 110.391 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 72.6 mmtt -57.17 -38.89 74.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.011 0.434 . . . . 74.51 110.563 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -64.6 -46.91 80.65 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.617 1.167 . . . . 54.01 110.149 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -76.65 -16.4 59.56 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.346 0.659 . . . . 54.33 111.983 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 90.4 mtp -74.74 -22.35 58.85 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.972 0.509 . . . . 73.53 110.594 171.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.24 -17.5 40.57 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.127 -0.488 . . . . 70.51 112.248 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -87.66 64.23 7.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.087 0.946 . . . . 74.23 109.954 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.63 -25.25 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 113.72 -1.582 . . . . 71.03 110.828 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -40.82 91.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.788 1.235 . . . . 63.44 110.917 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.69 -38.94 70.51 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.154 0.582 . . . . 61.31 110.148 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -41.65 67.66 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.507 1.123 . . . . 73.11 111.375 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -52.28 -54.29 15.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 O-C-N 124.885 1.366 . . . . 64.05 111.27 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.44 -34.08 74.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.47 0.708 . . . . 72.43 111.961 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -73.59 -34.07 64.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.259 0.624 . . . . 71.35 112.393 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.83 -29.26 58.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.598 0.359 . . . . 74.31 110.389 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.31 -44.5 71.64 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.625 0.77 . . . . 73.42 109.296 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 57' ' ' VAL . 66.1 mtt-85 -66.49 -47.93 71.45 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 114.621 -1.172 . . . . 64.51 110.257 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.47 72.22 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.143 0.902 . . . . 72.11 111.206 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.92 -34.79 78.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.373 1.069 . . . . 74.11 111.567 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.53 -39.2 70.88 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.922 0.889 . . . . 71.42 111.021 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 53' ' ' ARG . 50.0 t -69.63 -38.63 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 109.185 -0.672 . . . . 74.41 109.185 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.28 -29.89 69.62 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.712 0.805 . . . . 75.45 111.697 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.82 -40.18 83.83 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.114 -0.698 . . . . 62.11 109.114 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.64 90.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.316 0.647 . . . . 62.21 110.644 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 12.1 mm-40 -76.93 -16.3 59.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.671 -0.695 . . . . 74.53 111.977 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 m80 60.81 26.74 16.56 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.571 1.149 . . . . 45.43 110.177 -173.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.67 101.22 10.69 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.315 1.046 . . . . 63.13 108.711 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 t -66.95 -29.63 69.54 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.313 -0.858 . . . . 65.01 112.114 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.5 -59.41 5.28 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.229 0.612 . . . . 62.43 110.695 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.23 -32.27 65.59 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 124.236 0.96 . . . . 64.34 113.416 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.49 97.35 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.54 0.336 . . . . 74.13 110.451 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -73.06 -30.52 63.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.441 0.697 . . . . 71.21 111.246 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -60.24 -48.61 81.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.582 0.753 . . . . 64.2 110.445 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.46 -34.42 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 114.926 -1.034 . . . . 73.52 110.638 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.66 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.56 0.744 . . . . 63.33 111.678 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -67.09 -48.45 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.418 1.087 . . . . 52.22 109.271 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -68.69 -29.93 68.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.294 -0.866 . . . . 74.11 110.879 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.44 -45.48 87.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.916 0.886 . . . . 74.11 110.743 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 t -59.63 -39.33 83.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.632 0.373 . . . . 74.45 110.326 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.03 -37.8 75.7 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.97 0.508 . . . . 42.53 110.128 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.57 81.2 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.929 0.892 . . . . 74.35 111.226 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.262 0.625 . . . . 73.1 111.745 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -68.91 -28.32 66.56 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.676 0.39 . . . . 72.32 110.981 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.43 -44.8 16.97 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.273 0.629 . . . . 54.3 110.865 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.3 t . . . . . 0 N--CA 1.482 1.138 0 C-N-CA 124.116 0.966 . . . . 71.32 110.53 -178.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 8' ' ' ILE . 9.9 Cg_endo . . . . . 0 N--CA 1.487 1.128 0 N-CA-C 112.642 0.208 . . . . 62.42 112.642 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.568 ' HA ' HD12 ' A' ' 8' ' ' ILE . 34.6 t70 -58.69 -43.61 90.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.361 1.064 . . . . 72.14 111.376 174.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -69.43 -38.18 77.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.254 0.622 . . . . 74.24 111.548 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -66.03 -30.74 71.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.816 0.447 . . . . 71.12 111.479 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.8 mt -52.96 -43.43 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 124.341 1.056 . . . . 72.34 111.161 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.55 74.61 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 124.183 0.927 . . . . 72.05 111.998 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.64 -39.93 88.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.02 0.928 . . . . 62.22 110.66 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.3 -28.45 65.2 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.994 -0.548 . . . . 74.12 110.868 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 52.5 mt-10 -73.97 -33.53 63.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.446 0.698 . . . . 75.3 110.919 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -69.14 -37.29 78.2 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.988 0.423 . . . . 72.24 109.918 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.48 66.53 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.982 -1.008 . . . . 63.33 110.828 174.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.45 -43.87 59.36 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.628 1.171 . . . . 54.14 111.199 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 34.3 mmtp -76.48 -33.21 58.68 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.878 0.471 . . . . 74.42 111.146 -176.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -67.84 -44.71 76.57 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 109.442 -0.577 . . . . 74.32 109.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.26 70.29 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.845 0.858 . . . . 52.12 111.304 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.28 -48.82 79.64 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.857 1.263 . . . . 70.3 111.787 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.19 -19.72 61.04 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.574 0.349 . . . . 73.03 111.306 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.7 -9.39 58.88 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.555 0.742 . . . . 72.22 111.191 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 t30 66.21 19.96 11.09 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.137 1.375 . . . . 64.22 110.822 -176.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -93.1 89.79 6.62 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.904 -0.776 . . . . 74.45 108.904 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.55 -22.61 76.64 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 114.724 -1.125 . . . . 74.02 113.21 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 7.0 pt-20 -61.73 -43.91 97.94 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 109.749 -0.463 . . . . 75.21 109.749 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.8 -42.89 97.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.092 0.957 . . . . 74.23 110.23 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 mtm -62.93 -36.74 84.42 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.698 0.624 . . . . 54.45 111.713 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.57 -43.75 75.33 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.323 -0.711 . . . . 62.24 111.323 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 24.0 mtt-85 -66.56 -33.6 76.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.392 0.677 . . . . 75.33 109.969 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -51.86 65.51 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.155 0.909 . . . . 62.33 110.207 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.9 mt -64.01 -34.89 79.04 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.891 0.745 . . . . 65.04 111.197 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -62.82 -47.79 81.89 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.537 0.735 . . . . 75.41 109.945 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 91.0 m-20 -67.94 -41.68 82.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.311 0.645 . . . . 65.43 111.092 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.5 mt -58.62 -41.08 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.46 0.704 . . . . 71.4 109.958 174.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.36 97.2 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.289 -0.869 . . . . 44.11 111.937 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.0 mt -64.47 -35.76 81.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.306 0.642 . . . . 74.22 111.048 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.0 mm-40 -65.58 -43.22 90.43 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.48 0.487 . . . . 62.51 110.457 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HE2' HD13 ' A' ' 8' ' ' ILE . 5.2 mptp? -60.76 -44.2 97.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.875 0.87 . . . . 74.55 110.072 174.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -63.26 -35.59 80.84 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 124.257 0.973 . . . . 60.21 110.721 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 34.5 mtmm -71.75 -30.39 65.55 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.29 0.636 . . . . 74.12 111.295 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.411 ' HE3' ' HD2' ' A' ' 43' ' ' LYS . 77.4 mtm -81.53 -4.11 55.07 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.03 0.532 . . . . 73.34 111.3 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.96 88.06 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 120.064 -0.298 . . . . 45.44 112.977 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HD2' ' HE3' ' A' ' 41' ' ' MET . 92.4 mttt -89.54 62.29 5.87 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.056 1.342 . . . . 74.55 108.799 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 t -72.02 -27.01 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.35 -1.295 . . . . 71.31 112.007 -166.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HE3' HG13 ' A' ' 81' ' ' VAL . 10.7 mptt -63.97 -42.16 97.32 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 110.338 -0.245 . . . . 72.21 110.338 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.43 -43.43 94.35 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.81 0.694 . . . . 74.04 110.327 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.9 -44.24 70.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.076 0.951 . . . . 64.21 110.843 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 81' ' ' VAL . 96.6 mt -56.41 -48.71 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.898 1.279 . . . . 73.43 111.295 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.37 -47.13 76.25 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.326 1.016 . . . . 72.44 110.326 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 57.2 m-85 -66.3 -39.13 89.13 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.186 0.929 . . . . 70.22 112.364 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.65 -29.61 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.382 0.426 . . . . 75.21 110.922 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.13 -43.02 59.05 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.54 0.736 . . . . 72.33 110.323 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 57' ' ' VAL . 75.6 mtt180 -66.51 -46.96 74.49 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.43 -0.804 . . . . 73.33 109.581 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.02 75.43 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.671 1.232 . . . . 74.1 110.562 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.17 -39.77 91.39 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.499 1.125 . . . . 75.14 111.725 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -68.94 -45.76 69.95 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.243 0.617 . . . . 73.02 110.977 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.8 t -66.99 -32.37 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 C-N-CA 123.519 0.728 . . . . 74.13 110.144 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -67.22 -45.55 76.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.186 0.994 . . . . 72.32 110.244 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.16 -40.27 85.07 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.983 0.913 . . . . 52.52 111.439 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.53 79.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.184 -0.916 . . . . 71.02 111.184 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 12.2 mm-40 -85.75 -7.93 58.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 74.31 112.045 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.2 m80 64.76 24.24 12.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 124.527 1.131 . . . . 71.02 111.283 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.37 70.44 10.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.9 1.28 . . . . 72.13 107.576 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -73.43 -31.66 63.95 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.301 -0.863 . . . . 74.24 112.772 -166.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.77 -32.05 65.35 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.706 0.402 . . . . 74.4 110.772 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.23 86.16 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.441 -0.663 . . . . 42.24 111.441 172.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.91 83.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.926 0.89 . . . . 53.43 111.116 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -70.6 -34.07 71.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.546 1.539 . . . . 71.55 110.948 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -75.5 -35.1 60.86 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 73.44 109.975 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.71 94.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 115.703 -0.68 . . . . 32.23 109.561 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -72.19 -30.27 64.79 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.265 1.026 . . . . 55.44 111.79 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.59 -37.25 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.423 0.689 . . . . 63.35 110.231 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -71.46 -31.09 66.77 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.485 -0.78 . . . . 73.14 109.452 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 71' ' ' ALA . 14.5 mt -62.79 -52.39 63.38 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.177 0.991 . . . . 72.11 111.302 175.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.7 p -59.52 -38.78 81.87 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.616 0.572 . . . . 34.22 111.46 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.542 ' HA ' HE21 ' A' ' 79' ' ' GLN . 0.8 OUTLIER -67.78 -34.95 77.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.494 1.118 . . . . 75.01 111.335 174.387 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.61 63.63 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.949 0.9 . . . . 72.5 111.732 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -61.31 -30.86 70.76 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.494 0.718 . . . . 73.35 112.064 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.542 HE21 ' HA ' ' A' ' 76' ' ' GLU . 34.7 mt-30 -60.8 -35.78 77.34 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.414 0.686 . . . . 63.03 110.966 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -74.15 -34.39 63.83 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.008 -0.996 . . . . 72.51 110.411 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.677 HG13 ' HE3' ' A' ' 45' ' ' LYS . 57.2 t . . . . . 0 N--CA 1.485 1.321 0 C-N-CA 124.26 1.024 . . . . 73.21 110.669 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 N--CA 1.491 1.357 0 N-CA-C 113.072 0.374 . . . . 74.02 113.072 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.35 -40.29 85.95 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.22 1.008 . . . . 61.02 112.013 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.37 -33.71 69.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.907 0.883 . . . . 72.24 110.739 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.4 -42.23 92.82 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.519 -0.764 . . . . 73.41 111.09 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.52 -48.12 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.732 0.813 . . . . 74.34 110.612 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.64 68.52 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.347 0.659 . . . . 54.02 111.843 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -74.99 -37.61 61.82 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.165 0.986 . . . . 71.14 111.342 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.48 -29.78 66.4 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.489 0.315 . . . . 75.45 110.679 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.54 -34.68 70.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.542 0.737 . . . . 71.44 111.051 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -71.81 -39.55 69.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.185 0.594 . . . . 44.21 110.254 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.27 -27.74 60.88 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.257 -0.883 . . . . 74.22 111.101 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -58.45 -49.47 77.21 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.549 1.14 . . . . 72.01 111.184 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -30.9 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.826 . . . . 62.22 112.087 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -61.52 -43.59 98.59 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.099 0.56 . . . . 74.04 110.155 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.69 65.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.423 -0.808 . . . . 64.13 111.52 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.87 -41.66 78.07 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.007 0.923 . . . . 73.53 111.578 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.05 -27.72 61.06 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.506 -0.77 . . . . 74.12 111.013 -178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -85.75 -4.74 59.24 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.736 0.814 . . . . 55.31 111.096 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.43 HD22 ' N ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER 65.19 21.44 12.11 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.095 1.358 . . . . 60.33 111.58 177.495 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.558 ' HB3' HD13 ' A' ' 26' ' ' LEU . 77.0 mt-30 -82.86 79.51 9.21 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.402 1.081 . . . . 74.11 108.66 175.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.77 -29.6 75.72 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.226 -0.897 . . . . 74.23 113.108 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.83 -44.66 82.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.222 1.009 . . . . 75.32 111.295 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 23' ' ' GLN . 6.4 mp -75.56 -28.04 58.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.708 0.803 . . . . 64.54 111.611 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.1 mtm -68.27 -37.61 80.9 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.171 0.589 . . . . 71.43 110.733 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.83 -40.98 89.39 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-N 115.529 -0.759 . . . . 73.01 111.273 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.23 -38.47 83.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.045 0.938 . . . . 64.43 110.568 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.29 58.04 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 122.925 0.49 . . . . 61.24 111.191 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.66 -33.18 75.08 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.844 0.715 . . . . 64.21 111.392 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -63.13 -49.0 76.14 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.384 0.674 . . . . 53.22 110.149 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.7 m-20 -66.99 -33.23 75.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.153 -0.931 . . . . 53.15 111.52 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.26 -43.76 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.318 0.647 . . . . 71.23 109.775 172.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.68 -36.86 93.86 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 124.027 0.829 . . . . 31.31 112.319 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.2 mt -62.1 -45.61 92.72 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.456 0.702 . . . . 73.34 109.801 174.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 8.8 mm-40 -65.34 -36.89 85.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.684 0.615 . . . . 40.01 111.797 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -63.44 -44.04 95.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.919 0.487 . . . . 71.12 110.212 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.59 -40.87 96.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.023 0.929 . . . . 73.31 110.123 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 74.0 mmtt -61.47 -39.74 91.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.754 0.822 . . . . 65.31 111.361 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -84.4 -3.57 58.4 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.483 -0.781 . . . . 63.45 111.704 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.39 7.23 86.81 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.724 -0.486 . . . . 62.14 113.829 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -84.89 66.2 9.58 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 107.551 -1.277 . . . . 74.03 107.551 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.593 HG11 ' HB2' ' A' ' 80' ' ' LYS . 47.6 t -74.11 -26.98 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 114.807 -1.088 . . . . 74.22 112.148 -167.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -68.89 -44.15 73.81 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.908 -0.405 . . . . 71.24 109.908 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.55 -28.66 67.16 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 123.804 0.69 . . . . 75.5 110.652 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.39 81.85 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.852 0.72 . . . . 60.04 110.515 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.57 -48.91 82.12 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 124.819 1.324 . . . . 55.22 111.256 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.19 -44.0 87.82 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.986 0.803 . . . . 74.44 110.679 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.35 -32.27 64.43 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.808 0.67 . . . . 75.51 112.808 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -69.49 -32.03 70.66 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 118.011 0.369 . . . . 75.4 110.786 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.9 -45.25 61.91 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 124.126 0.891 . . . . 71.1 109.513 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 57' ' ' VAL . 96.1 mtt180 -63.65 -43.57 96.39 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.12 0.887 . . . . 73.34 110.381 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.54 81.3 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 123.815 0.697 . . . . 60.52 111.197 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.81 1.318 . . . . 62.24 110.556 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.96 -41.88 98.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.592 1.157 . . . . 65.43 110.916 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 53' ' ' ARG . 41.1 t -73.85 -37.21 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.682 -0.69 . . . . 54.01 110.262 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -59.83 -36.91 77.79 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.353 0.661 . . . . 64.01 111.67 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.92 -39.22 93.18 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.126 0.57 . . . . 75.22 110.584 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.18 76.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.786 0.834 . . . . 75.01 110.968 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -76.04 -14.23 60.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.59 0.756 . . . . 74.32 111.578 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 67.41 21.17 9.77 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.891 1.276 . . . . 74.54 111.582 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.77 81.93 6.89 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.881 -1.155 . . . . 74.54 107.881 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.0 t -67.24 -29.91 69.67 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.349 -1.296 . . . . 73.33 111.229 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.85 -49.48 65.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.876 0.47 . . . . 74.22 110.438 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.61 -36.63 93.38 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.905 -0.589 . . . . 55.21 112.899 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -42.43 91.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.187 0.595 . . . . 42.11 112.384 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -65.55 -34.96 79.48 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.706 0.403 . . . . 75.45 110.762 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -70.37 -34.57 72.75 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.828 0.851 . . . . 70.13 110.411 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.02 73.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.393 0.677 . . . . 53.34 110.605 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -73.94 -26.27 60.41 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.189 0.931 . . . . 62.52 111.527 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -43.48 65.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.988 -0.745 . . . . 70.43 108.988 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 m -67.14 -30.23 70.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.586 0.754 . . . . 61.42 111.637 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 71' ' ' ALA . 16.3 mt -60.67 -45.37 94.42 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.436 0.695 . . . . 75.34 110.698 169.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m -56.88 -36.4 70.06 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.682 0.614 . . . . 75.15 111.616 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 25.8 mm-40 -70.47 -41.62 72.53 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.134 0.896 . . . . 73.2 110.78 176.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.15 82.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.441 0.696 . . . . 63.52 112.078 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -64.5 -23.5 67.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.19 0.596 . . . . 74.14 111.632 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 76' ' ' GLU . 72.8 mt-30 -60.62 -44.0 96.82 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.023 0.529 . . . . 64.3 111.314 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.593 ' HB2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -79.81 -35.23 38.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.618 0.367 . . . . 62.42 111.118 -178.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 123.719 0.808 . . . . 74.01 111.504 -175.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.446 ' O ' HG13 ' A' ' 8' ' ' ILE . 51.3 Cg_exo . . . . . 0 N--CA 1.486 1.035 0 N-CA-C 114.481 0.916 . . . . 62.43 114.481 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -69.92 -37.56 75.98 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.505 0.722 . . . . 72.14 111.265 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -74.13 -27.11 60.7 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.972 -0.558 . . . . 73.34 109.978 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -72.37 -39.86 67.74 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.397 -0.82 . . . . 72.43 109.626 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.502 HG12 HG23 ' A' ' 34' ' ' ILE . 75.5 mt -57.76 -47.52 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.142 0.977 . . . . 62.14 109.898 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -59.62 -37.42 78.57 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 124.334 1.021 . . . . 55.45 111.324 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.24 -42.76 88.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.014 0.926 . . . . 71.23 110.968 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.41 -26.16 61.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.875 0.47 . . . . 74.12 110.724 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.19 -28.78 65.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.166 0.986 . . . . 63.52 111.576 176.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 87.6 mttt -68.45 -48.38 64.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.509 -0.552 . . . . 64.22 109.509 173.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.28 -27.94 68.32 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.832 -1.076 . . . . 71.05 111.417 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -70.32 -55.66 8.63 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.942 0.897 . . . . 75.54 110.784 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -77.13 -25.74 52.43 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.412 -0.813 . . . . 74.21 112.095 -173.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -70.81 -41.3 71.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.466 -0.568 . . . . 64.24 109.466 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.49 68.95 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.337 0.398 . . . . 14.4 111.004 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.49 -47.7 77.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.664 0.786 . . . . 53.44 109.625 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -60.62 -39.84 89.7 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 114.205 -1.361 . . . . 74.22 110.347 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.68 -9.64 59.28 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.27 0.628 . . . . 73.02 111.928 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 64.69 26.62 13.14 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.316 1.046 . . . . 62.55 111.451 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.589 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.9 mm-40 -84.13 91.71 7.74 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.39 1.476 . . . . 75.31 108.606 172.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.11 -52.28 50.96 Favored Glycine 0 C--N 1.342 0.889 0 O-C-N 123.253 0.345 . . . . 75.12 112.855 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.732 ' HG3' HD12 ' A' ' 26' ' ' LEU . 7.1 pt-20 -53.12 -40.63 64.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.459 1.103 . . . . 62.41 112.292 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 ' HG3' ' A' ' 25' ' ' GLU . 4.7 mp -69.08 -32.39 71.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.904 0.481 . . . . 74.31 111.831 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.3 mtm -67.36 -41.35 85.24 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 123.305 0.378 . . . . 63.51 110.725 172.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.99 -37.61 94.15 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 115.595 -0.73 . . . . 54.21 112.308 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 40.3 mtm180 -59.33 -47.45 85.35 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.203 0.601 . . . . 63.13 109.826 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.19 -46.71 85.32 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.665 1.228 . . . . 32.14 111.157 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 53' ' ' ARG . 70.4 mt -62.7 -42.55 99.7 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.88 0.738 . . . . 70.42 111.269 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.23 -43.84 98.23 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.041 0.937 . . . . 64.45 110.707 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -39.17 64.09 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.716 0.807 . . . . 75.31 111.415 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 HG12 ' A' ' 8' ' ' ILE . 96.8 mt -63.16 -35.54 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.526 0.73 . . . . 74.4 109.659 172.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.11 99.07 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.301 -0.863 . . . . 71.4 112.019 172.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.25 -33.16 75.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.27 0.628 . . . . 73.03 110.945 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -68.35 -40.86 81.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.918 0.487 . . . . 71.11 110.841 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.08 -39.64 90.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.019 0.528 . . . . 71.14 110.319 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -64.68 -40.71 95.87 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.904 1.281 . . . . 74.25 111.06 -174.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.4 -21.67 58.06 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.917 0.487 . . . . 74.1 111.999 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.3 mtm -89.21 -2.07 58.34 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.053 0.541 . . . . 72.4 112.193 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 2.92 88.95 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-O 120.225 -0.209 . . . . 52.25 112.79 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -92.63 50.91 1.65 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.059 -1.089 . . . . 75.02 108.059 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 80' ' ' LYS . 21.7 t -71.19 -21.99 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 113.716 -1.584 . . . . 60.31 110.439 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.659 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 3.1 mptp? -62.59 -36.98 84.45 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.059 -1.428 . . . . 71.34 110.01 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.47 -38.92 39.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.923 0.889 . . . . 74.01 110.154 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.22 -40.11 70.46 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 124.377 1.071 . . . . 32.32 112.63 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.83 -52.91 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.446 1.091 . . . . 62.03 110.502 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.34 -36.6 80.61 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.128 0.892 . . . . 73.2 111.347 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -68.33 -38.71 81.79 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.144 0.577 . . . . 65.14 111.809 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.91 -28.6 62.56 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.825 0.45 . . . . 74.53 110.365 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.77 -45.04 68.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.603 0.761 . . . . 53.14 110.038 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . 81.0 mtp180 -64.55 -49.14 72.4 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.291 -0.868 . . . . 72.1 109.752 175.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.66 -49.48 72.79 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.456 1.098 . . . . 72.01 111.434 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.51 -36.59 84.7 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.176 0.922 . . . . 75.04 110.904 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -66.08 -39.6 90.17 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.664 0.603 . . . . 75.0 111.029 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 53' ' ' ARG . 93.0 t -69.3 -47.73 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.75 -0.659 . . . . 65.33 109.723 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -61.47 -29.51 70.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.799 0.84 . . . . 72.52 111.895 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -43.75 78.35 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.672 0.789 . . . . 73.33 110.082 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.54 80.32 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.869 -0.605 . . . . 73.31 111.517 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.5 -13.7 59.85 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.61 0.764 . . . . 60.54 111.077 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m80 60.09 29.72 19.26 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.349 1.059 . . . . 61.41 111.15 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.3 102.36 11.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.335 1.054 . . . . 71.2 108.361 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -65.17 -42.4 93.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.585 0.754 . . . . 70.32 112.668 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -65.59 -48.17 73.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.869 0.468 . . . . 73.21 111.762 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.53 85.98 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.649 0.593 . . . . 71.54 112.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.5 98.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.445 0.698 . . . . 75.12 111.657 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -68.71 -41.42 79.13 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.614 -0.721 . . . . 73.33 110.761 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -70.7 -31.23 68.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 111.636 0.235 . . . . 72.01 111.636 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.25 92.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.716 0.406 . . . . 72.11 110.007 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.14 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.562 0.745 . . . . 75.2 112.322 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.7 -40.11 56.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.974 0.51 . . . . 63.44 109.697 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.6 m -67.75 -30.58 70.08 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.262 -0.881 . . . . 64.43 110.419 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.85 -43.08 94.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.755 0.822 . . . . 70.3 111.137 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -57.55 -41.98 82.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.47 0.708 . . . . 72.15 110.543 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.35 -37.23 66.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.425 0.69 . . . . 72.41 110.884 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.39 96.08 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.812 0.845 . . . . 63.43 111.751 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -67.46 -24.61 65.64 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.103 0.961 . . . . 75.52 111.181 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -77.99 -30.81 50.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.923 0.489 . . . . 63.31 110.867 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HB2' HG11 ' A' ' 44' ' ' VAL . 60.7 mttm -78.89 -24.36 44.25 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.237 0.615 . . . . 70.03 111.141 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 123.888 0.875 . . . . 65.22 109.68 177.735 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HA ' HD22 ' A' ' 7' ' ' ASN . 51.0 Cg_exo . . . . . 0 N--CA 1.494 1.508 0 N-CA-C 113.726 0.625 . . . . 73.3 113.726 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.692 ' HA ' HD12 ' A' ' 8' ' ' ILE . 31.1 t70 -60.61 -33.38 72.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.926 0.89 . . . . 73.31 111.968 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.33 -39.57 74.67 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 72.4 110.602 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.441 HD22 ' HA ' ' A' ' 4' ' ' PRO . 32.8 m-80 -63.43 -36.47 83.85 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.96 0.504 . . . . 54.1 110.652 175.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -60.04 -43.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.222 1.009 . . . . 73.04 111.339 177.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.24 71.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.045 0.538 . . . . 61.2 111.069 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.17 -41.6 76.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.454 0.701 . . . . 61.13 110.795 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -73.12 -26.98 61.43 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.895 0.478 . . . . 75.44 111.518 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.46 -33.56 60.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.164 0.585 . . . . 75.53 110.178 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -71.11 -36.13 72.05 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.089 0.556 . . . . 72.51 109.589 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.43 -31.35 65.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.706 0.802 . . . . 44.41 110.614 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -39.43 77.4 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.723 1.209 . . . . 74.12 110.743 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mmtm -66.92 -46.2 75.55 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.573 -0.739 . . . . 74.13 110.122 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 58.8 tptt -59.33 -44.95 92.55 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.1 0.875 . . . . 73.21 109.84 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.5 75.65 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.685 1.194 . . . . 64.1 111.792 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.72 -40.22 84.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.317 1.047 . . . . 74.4 110.137 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 65.1 mt-10 -64.62 -34.8 79.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.646 0.778 . . . . 44.41 110.996 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 82.4 mt -80.5 -11.73 59.63 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.544 0.737 . . . . 73.32 111.251 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.24 29.27 13.86 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.761 1.224 . . . . 74.42 110.142 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -105.41 94.13 5.05 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.225 1.01 . . . . 52.33 108.702 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.1 89.05 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.835 -1.075 . . . . 71.4 113.822 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.13 -33.64 69.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.132 0.573 . . . . 73.54 110.84 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.67 -37.59 62.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.73 0.812 . . . . 72.14 111.066 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.7 mtm -66.85 -54.85 18.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.228 0.611 . . . . 72.22 110.945 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.3 -38.09 94.08 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.424 -0.807 . . . . 62.25 112.275 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -63.57 -38.8 92.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.321 0.648 . . . . 61.12 110.3 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.19 88.9 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 123.704 0.802 . . . . 55.43 110.834 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 94.9 mt -64.25 -37.22 86.7 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.991 0.807 . . . . 63.52 110.78 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.7 t80 -62.83 -40.64 98.03 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.647 0.779 . . . . 75.54 109.918 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -64.01 -43.78 94.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.208 0.603 . . . . 73.12 111.167 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -38.17 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 52.23 110.28 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 -36.91 93.67 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 115.306 -0.861 . . . . 54.25 112.263 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 93.3 mt -69.14 -32.81 72.43 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.608 0.763 . . . . 73.44 110.878 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.57 -37.21 68.27 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.054 0.454 . . . . 75.24 110.892 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.502 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 6.1 mptp? -66.47 -39.62 88.9 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.456 0.702 . . . . 65.14 109.901 173.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -61.92 -44.74 96.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.475 1.11 . . . . 62.01 110.757 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.07 -17.68 61.39 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.731 0.412 . . . . 74.4 111.966 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.8 mtm -90.07 -6.04 55.92 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.129 0.572 . . . . 75.32 111.783 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 6.08 89.56 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 116.598 -0.274 . . . . 23.11 113.121 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -85.77 60.6 6.33 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.868 0.842 . . . . 62.4 109.021 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.6 -26.72 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.459 -1.246 . . . . 74.11 110.484 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -49.73 -55.88 12.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.705 1.202 . . . . 71.43 111.11 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 36.6 mt-10 -75.62 -37.34 59.83 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.744 -1.116 . . . . 72.24 111.113 -177.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.52 69.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.801 0.84 . . . . 72.21 110.877 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.455 HD11 HG21 ' A' ' 81' ' ' VAL . 79.0 mt -55.07 -51.21 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 124.563 1.164 . . . . 45.53 111.51 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.97 -43.86 73.86 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 124.072 0.858 . . . . 72.02 110.686 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 67.4 m-85 -69.23 -39.67 78.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.315 -0.857 . . . . 72.43 112.031 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -69.74 -28.66 65.98 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.413 0.446 . . . . 70.22 111.125 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.02 -45.93 54.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.429 0.691 . . . . 72.44 110.028 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 57' ' ' VAL . 99.0 mtt180 -67.9 -36.67 80.61 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.072 -0.967 . . . . 75.24 110.532 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.92 -50.81 69.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 72.41 110.398 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -59.13 -42.55 90.9 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 124.909 1.381 . . . . 73.22 110.788 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -57.87 -39.55 78.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.435 1.094 . . . . 64.3 110.877 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 53' ' ' ARG . 40.8 t -75.94 -37.12 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.521 -0.763 . . . . 45.11 110.629 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -65.58 -28.15 68.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.725 0.41 . . . . 74.53 111.074 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -67.86 -38.19 82.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.347 0.659 . . . . 71.3 110.29 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -32.4 67.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.033 0.933 . . . . 62.32 111.424 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -78.58 -13.99 59.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.062 0.945 . . . . 75.3 111.405 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.6 m170 67.54 20.07 9.81 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.969 1.307 . . . . 70.4 111.84 -175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -83.26 82.62 8.19 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 108.584 -0.895 . . . . 74.14 108.584 168.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -65.49 -27.65 68.64 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.35 -0.386 . . . . 63.34 110.452 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.96 -49.85 68.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.014 0.926 . . . . 75.54 110.489 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.47 Favored Glycine 0 C--N 1.347 1.177 0 CA-C-N 115.414 -0.812 . . . . 54.11 112.986 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.09 71.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.022 0.929 . . . . 22.2 111.269 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -72.37 -30.63 64.87 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.792 0.837 . . . . 75.13 110.331 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -66.05 -42.64 89.24 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.716 0.806 . . . . 74.13 110.349 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.68 87.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.746 -0.661 . . . . 55.41 110.478 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -69.67 -27.91 65.43 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.784 0.834 . . . . 73.51 111.643 176.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -70.81 -44.57 66.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.403 0.681 . . . . 71.12 110.172 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -61.53 -34.75 76.07 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.261 0.624 . . . . 74.54 110.951 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 71' ' ' ALA . 49.6 mt -64.47 -44.49 90.91 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.127 0.971 . . . . 75.34 111.211 171.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.4 t -61.29 -33.94 74.39 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.894 0.878 . . . . 60.4 111.336 -177.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.07 -38.31 57.21 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.608 0.763 . . . . 74.43 110.487 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.48 65.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.123 0.969 . . . . 74.51 112.281 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -60.49 -30.85 69.96 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.403 1.081 . . . . 74.34 112.655 -175.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -60.92 -42.11 97.46 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.607 0.763 . . . . 61.41 110.234 176.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -76.24 -28.35 57.1 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.585 1.154 . . . . 72.24 111.788 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.455 HG21 HD11 ' A' ' 48' ' ' ILE . 64.5 t . . . . . 0 N--CA 1.486 1.343 0 C-N-CA 123.58 0.752 . . . . 75.52 110.706 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.458 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 54.3 Cg_exo . . . . . 0 N--CA 1.498 1.753 0 N-CA-C 114.896 1.075 . . . . 62.31 114.896 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.8 m-20 -73.59 -24.41 60.06 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.655 0.382 . . . . 73.23 111.738 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.87 -39.38 72.92 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.569 0.748 . . . . 72.12 109.63 171.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -64.72 -35.58 81.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.514 0.725 . . . . 74.21 109.78 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 5' ' ' ASP . 96.0 mt -61.61 -46.26 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.198 0.999 . . . . 73.11 110.865 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.34 66.08 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.733 0.646 . . . . 71.14 111.192 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.48 -39.12 54.07 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.03 0.932 . . . . 72.43 110.937 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -65.78 -32.34 73.81 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.359 0.664 . . . . 41.53 111.081 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 15' ' ' TYR . 65.1 mt-10 -67.54 -28.04 67.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.681 0.792 . . . . 61.33 111.075 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.2 -48.07 74.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.0 0.52 . . . . 73.42 109.92 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.61 75.55 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.296 -0.865 . . . . 64.03 110.806 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.45 ' HB3' ' HA ' ' A' ' 12' ' ' GLU . 46.9 t80 -69.83 -40.75 75.68 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.194 0.998 . . . . 74.04 112.098 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.3 mmmm -72.48 -30.35 64.46 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 117.616 0.189 . . . . 64.55 110.541 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -32.24 64.08 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 109.087 -0.709 . . . . 74.11 109.087 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.24 80.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.833 0.853 . . . . 65.13 110.796 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.1 -37.37 58.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.928 1.291 . . . . 71.42 111.639 -171.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.18 -33.64 76.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.974 0.416 . . . . 61.15 110.625 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -89.51 -11.19 43.62 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.732 0.813 . . . . 72.41 110.818 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 66.42 22.04 10.78 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.007 1.723 . . . . 61.4 111.959 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' ' 26' ' ' LEU . 78.6 mt-30 -79.98 99.36 7.59 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 109.192 -0.67 . . . . 62.32 109.192 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.91 -27.17 73.27 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 114.773 -1.103 . . . . 65.41 114.199 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.61 -37.97 74.15 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.693 0.397 . . . . 73.51 110.206 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 23' ' ' GLN . 90.3 mt -75.42 -48.05 24.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.456 1.102 . . . . 73.22 110.859 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 46.4 mtm -64.37 -38.12 89.92 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.753 0.658 . . . . 72.4 112.043 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.14 97.95 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.915 0.76 . . . . 74.25 111.906 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.81 -41.23 99.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.488 0.715 . . . . 74.24 110.409 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.1 -52.32 63.12 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.547 0.739 . . . . 34.14 111.152 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 85.3 mt -66.07 -31.34 72.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 63.2 111.143 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.7 -46.94 83.19 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.749 0.819 . . . . 72.41 110.119 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 55.4 m-80 -70.25 -34.67 73.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.945 0.498 . . . . 70.51 111.989 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.68 -43.57 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 109.017 -0.735 . . . . 72.23 109.017 173.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.48 -45.62 95.25 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 114.843 -1.071 . . . . 43.12 112.321 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.54 -36.31 73.66 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.817 0.847 . . . . 75.44 111.782 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 20.4 mm-40 -65.21 -48.52 73.1 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.694 0.621 . . . . 54.54 110.439 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 3.3 mptp? -60.5 -40.96 93.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.733 0.413 . . . . 71.23 110.873 175.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.99 -45.87 90.34 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.443 1.097 . . . . 62.34 111.254 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 60.4 pttt -74.45 -25.67 59.56 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.681 -0.69 . . . . 71.11 111.376 -178.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.467 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 76.3 mtm -76.74 -17.68 58.93 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.018 0.527 . . . . 62.2 111.983 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.86 65.43 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.095 -0.402 . . . . 35.3 112.095 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 85.5 mttt -88.37 52.14 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.207 1.003 . . . . 51.11 108.391 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.1 -23.83 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 114.245 -1.343 . . . . 75.41 111.706 -164.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -55.5 -50.73 69.16 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.386 0.674 . . . . 73.44 110.773 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 2.5 mp0 -67.0 -37.28 83.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.848 -0.614 . . . . 75.33 110.751 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.9 76.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.057 0.943 . . . . 74.03 111.487 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 81' ' ' VAL . 85.3 mt -52.47 -50.57 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 125.086 1.491 . . . . 74.35 110.919 176.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 52' ' ' LEU . 42.5 mt-10 -60.16 -38.36 82.92 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.287 0.992 . . . . 70.22 111.15 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 50.1 m-85 -73.91 -34.03 64.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.327 0.651 . . . . 63.51 112.541 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.24 -28.71 65.47 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 110.137 -0.319 . . . . 73.35 110.137 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 49' ' ' GLU . 83.4 mt -69.57 -43.95 71.83 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.491 0.717 . . . . 71.15 109.752 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 57' ' ' VAL . 86.7 mtt180 -60.96 -51.39 69.45 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.953 0.783 . . . . 63.3 109.321 174.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.31 76.94 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.569 1.168 . . . . 65.51 111.292 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -62.48 -41.7 98.98 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.31 1.006 . . . . 73.34 111.026 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -63.19 -42.32 99.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.76 0.824 . . . . 54.53 111.373 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 53' ' ' ARG . 96.0 t -72.0 -35.3 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.019 0.528 . . . . 63.52 110.056 -175.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -69.15 -36.11 77.07 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.125 0.57 . . . . 74.12 110.401 171.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.4 -41.68 98.75 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.199 0.6 . . . . 72.44 110.278 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.8 81.75 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.949 -1.023 . . . . 60.12 111.096 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -86.2 -1.95 57.92 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.621 0.768 . . . . 72.33 112.245 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 58.79 25.94 14.12 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.348 1.059 . . . . 73.01 111.737 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -80.47 90.92 5.68 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 107.795 -1.187 . . . . 34.21 107.795 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 9.8 t -59.54 -41.17 89.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.649 -1.16 . . . . 71.04 111.274 -174.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.86 -58.48 7.69 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.697 0.799 . . . . 74.21 110.986 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.15 -30.91 76.3 Favored Glycine 0 C--N 1.343 0.918 0 O-C-N 124.193 0.933 . . . . 73.44 113.611 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.78 93.14 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.349 0.575 . . . . 61.13 110.628 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' A' ' 64' ' ' THR . 9.4 mpt_? -74.31 -32.28 62.8 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.543 -0.753 . . . . 75.45 110.619 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 -75.17 -33.56 61.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.964 0.905 . . . . 70.12 111.35 -176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.22 73.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.886 0.474 . . . . 43.21 110.034 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.79 -27.82 62.22 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.896 0.748 . . . . 45.43 111.361 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -67.96 -48.23 66.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.476 0.71 . . . . 53.04 109.577 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.3 t -67.29 -29.93 69.65 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.23 -0.895 . . . . 62.12 110.432 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.85 -43.51 98.24 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.713 0.805 . . . . 72.03 111.588 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 49.1 m -61.54 -44.3 97.29 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.486 0.315 . . . . 72.12 110.289 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.32 -31.14 72.21 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.085 0.866 . . . . 73.34 111.03 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.66 -45.75 61.04 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.891 0.876 . . . . 74.01 111.449 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.46 -23.76 65.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.176 0.591 . . . . 73.31 111.699 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 75' ' ' SER . 97.0 mt-30 -60.45 -38.94 85.79 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.407 0.623 . . . . 61.21 110.917 172.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -80.73 -32.62 35.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.015 -0.993 . . . . 71.43 110.856 -173.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 48' ' ' ILE . 88.8 t . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 123.755 0.822 . . . . 61.44 110.768 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo . . . . . 0 N--CA 1.494 1.508 0 CA-C-O 121.189 0.412 . . . . 73.33 111.983 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.89 -38.75 86.87 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.237 1.015 . . . . 74.42 111.06 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.05 -38.7 89.02 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.752 -0.832 . . . . 62.32 108.752 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -62.13 -44.24 97.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.299 1.04 . . . . 62.15 111.159 175.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 34' ' ' ILE . 71.1 mt -53.22 -49.64 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.884 0.874 . . . . 74.04 111.054 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.4 73.91 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.971 0.794 . . . . 72.01 111.569 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -69.95 -40.25 75.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.799 0.84 . . . . 73.23 110.781 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -76.12 -25.67 55.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.104 0.961 . . . . 72.33 110.607 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 tm-20 -74.4 -38.48 63.09 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.627 -0.879 . . . . 74.04 108.627 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -64.34 -45.38 88.08 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.464 -0.939 . . . . 64.41 108.464 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.89 70.06 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.566 0.746 . . . . 52.2 110.954 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -68.99 -42.93 75.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 55.35 110.441 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.8 mmmt -68.43 -35.86 78.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.658 0.598 . . . . 60.12 111.193 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -67.68 -43.68 79.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 50.53 109.943 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.83 72.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.321 -1.309 . . . . 63.32 111.32 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.72 -31.03 63.19 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.202 1.401 . . . . 74.14 110.774 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 15.8 mm-40 -68.56 -38.43 80.74 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.3 0.64 . . . . 71.34 110.465 173.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.78 -14.64 57.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.175 -0.92 . . . . 75.14 110.82 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 60.47 22.21 11.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.299 1.44 . . . . 53.3 112.078 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -84.72 110.69 18.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.302 0.641 . . . . 72.54 110.288 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.6 -26.6 69.91 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 124.164 0.915 . . . . 74.13 114.028 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' HA ' ' HE1' ' A' ' 58' ' ' PHE . 21.6 tt0 -59.1 -53.82 54.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.606 0.763 . . . . 71.03 109.786 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.62 -43.73 75.75 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.931 -1.031 . . . . 74.13 111.391 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.4 mtm -68.31 -42.3 79.61 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.892 0.477 . . . . 72.0 111.607 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.51 93.42 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-N 115.596 -0.729 . . . . 44.01 112.006 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.6 -36.21 80.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.224 0.609 . . . . 71.34 111.407 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.03 71.1 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.277 0.631 . . . . 52.14 110.921 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.76 -33.56 76.15 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.045 0.841 . . . . 73.1 110.896 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.31 -47.6 78.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.881 0.872 . . . . 72.14 110.462 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 33.2 m-80 -66.33 -40.91 90.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.336 0.654 . . . . 73.44 111.473 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 8' ' ' ILE . 91.6 mt -58.3 -41.08 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 123.779 0.674 . . . . 64.52 110.178 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.93 -39.51 98.14 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.284 -0.871 . . . . 70.51 112.722 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -39.94 96.1 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.534 0.734 . . . . 62.05 111.021 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 16.8 mm-40 -70.11 -38.0 75.49 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.605 -0.725 . . . . 54.23 110.809 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' HD13 ' A' ' 8' ' ' ILE . 71.2 mmtt -62.13 -44.42 96.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.978 0.418 . . . . 63.33 110.188 172.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -67.95 -35.67 78.8 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.128 -0.942 . . . . 64.54 111.262 -170.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.9 -25.16 59.87 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.249 0.343 . . . . 53.4 111.069 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 77.8 mtm -86.28 3.37 43.53 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.425 0.69 . . . . 73.1 112.052 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.34 2.14 90.36 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.025 0.203 . . . . 74.12 113.318 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -88.91 53.42 2.69 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.466 1.106 . . . . 71.21 108.735 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.83 -23.72 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 114.464 -1.243 . . . . 62.25 110.15 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.701 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 2.8 mptp? -63.99 -42.84 97.08 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.429 1.092 . . . . 72.35 109.737 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.52 -40.07 61.98 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.87 -1.059 . . . . 55.11 110.152 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.93 79.66 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.319 1.048 . . . . 53.33 111.959 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -53.57 -50.69 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 124.603 1.189 . . . . 61.41 110.441 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.88 -38.62 91.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.82 0.7 . . . . 75.34 110.813 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.78 -37.19 86.78 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.13 0.572 . . . . 73.23 112.334 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -76.03 -28.47 57.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.769 0.427 . . . . 73.24 110.476 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 mt -68.11 -41.7 81.35 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.466 -0.568 . . . . 75.34 109.466 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 57' ' ' VAL . 73.4 mtt180 -75.26 -39.12 60.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.159 0.984 . . . . 71.01 110.326 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.86 75.49 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.742 0.651 . . . . 63.35 109.993 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 70' ' ' ALA . 54.7 tttp -59.68 -45.77 91.06 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.433 1.083 . . . . 72.13 110.084 175.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.85 -39.27 71.22 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.562 1.163 . . . . 73.21 112.134 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 53' ' ' ARG . 49.6 t -64.02 -55.99 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 109.211 -0.663 . . . . 75.31 109.211 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HE1' ' HA ' ' A' ' 25' ' ' GLU . 61.3 m-85 -63.15 -30.45 71.6 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.398 0.679 . . . . 73.43 112.205 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.34 -36.57 58.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.072 0.949 . . . . 75.15 109.444 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.28 -30.54 57.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.451 -0.795 . . . . 72.13 111.026 175.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 16.9 mm-40 -78.23 -14.11 59.58 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.142 0.577 . . . . 61.11 110.578 172.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.8 m80 62.36 30.04 17.34 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.011 1.324 . . . . 75.01 111.991 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.58 93.99 6.82 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.065 -1.457 . . . . 62.23 107.065 164.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 5.8 t -63.99 -36.96 85.69 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.945 -1.025 . . . . 75.31 111.766 -172.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 15.3 m-20 -66.17 -41.59 90.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.139 0.576 . . . . 64.22 111.08 -176.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.39 -40.23 87.07 Favored Glycine 0 C--N 1.344 0.976 0 O-C-N 123.772 0.67 . . . . 54.04 112.471 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.84 79.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.965 -0.618 . . . . 54.05 110.432 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 64' ' ' THR . 79.7 mtp180 -70.91 -32.42 69.36 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.084 0.954 . . . . 74.52 111.707 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 68.6 mtt-85 -57.25 -54.03 51.44 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 109.213 -0.662 . . . . 75.24 109.213 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 55' ' ' LYS . . . -75.98 -33.82 59.75 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.061 -1.427 . . . . 72.1 111.954 -174.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -35.99 63.5 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 122.759 0.424 . . . . 74.11 111.352 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -65.26 -45.73 83.37 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.224 -0.658 . . . . 34.11 109.224 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 t -66.01 -28.39 68.84 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.648 -1.16 . . . . 72.3 110.871 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.55 -47.19 56.65 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 71.33 110.806 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -57.4 -45.49 84.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.632 0.773 . . . . 72.31 110.878 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.46 -28.28 60.96 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.444 -0.798 . . . . 73.45 111.349 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.47 74.2 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.454 0.701 . . . . 74.33 110.926 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -62.92 -39.1 93.53 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.07 0.548 . . . . 63.24 110.059 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.88 -29.61 67.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.526 0.73 . . . . 75.13 111.9 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.77 -29.04 50.72 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.509 0.723 . . . . 72.33 111.346 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.49 1.537 0 C-N-CA 124.216 1.006 . . . . 73.33 111.649 -176.651 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.492 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo . . . . . 0 N--CA 1.491 1.334 0 N-CA-C 112.764 0.255 . . . . 71.32 112.764 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 8' ' ' ILE . 37.5 t70 -67.26 -38.1 84.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.737 0.815 . . . . 74.32 111.757 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -69.58 -36.14 76.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.761 0.424 . . . . 62.13 110.706 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -66.56 -36.04 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.037 0.935 . . . . 61.42 110.638 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.5 mt -53.04 -47.06 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.626 0.771 . . . . 73.21 110.365 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.8 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.357 1.036 . . . . 60.5 112.255 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -69.46 -45.24 69.53 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.666 0.386 . . . . 74.55 110.382 175.229 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -70.41 -25.59 63.3 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.561 0.744 . . . . 61.45 110.898 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.68 -42.33 74.28 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.244 1.018 . . . . 72.43 108.999 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.87 -37.6 84.73 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.072 -0.513 . . . . 74.33 110.354 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.96 67.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.855 -0.611 . . . . 71.33 111.363 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -67.78 -47.17 69.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.943 0.897 . . . . 75.51 109.884 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 29.0 mmmt -64.39 -43.02 95.78 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.35 1.032 . . . . 75.1 111.265 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HE3' HD11 ' A' ' 21' ' ' LEU . 54.6 tptt -57.74 -45.72 85.44 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.158 0.911 . . . . 71.42 110.434 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.64 96.49 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.355 -0.839 . . . . 62.0 111.517 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 2.4 tm-20 -64.91 -40.98 95.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.998 0.919 . . . . 74.03 110.296 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 25.6 mm-40 -68.31 -29.41 68.17 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.635 -0.711 . . . . 74.2 111.155 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD11 ' HE3' ' A' ' 17' ' ' LYS . 94.0 mt -87.2 -9.1 56.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.501 0.72 . . . . 70.32 112.149 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.37 27.53 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.988 1.315 . . . . 75.12 111.942 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -85.77 98.0 10.49 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.503 0.721 . . . . 72.35 109.981 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.48 -46.96 86.88 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 124.122 0.889 . . . . 54.31 112.338 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.45 ' HG3' HD12 ' A' ' 26' ' ' LEU . 6.7 pt-20 -52.62 -51.66 58.99 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.608 0.763 . . . . 73.41 111.764 -174.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.45 HD12 ' HG3' ' A' ' 25' ' ' GLU . 1.4 mp -71.37 -27.65 63.49 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.793 0.437 . . . . 60.4 111.886 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.41 ' SD ' ' HG2' ' A' ' 19' ' ' GLU . 39.0 mtm -69.33 -44.59 71.36 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.23 0.331 . . . . 65.5 110.592 176.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.87 99.6 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.805 0.69 . . . . 52.34 111.509 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.86 -45.01 96.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 74.13 110.322 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.46 -51.88 67.97 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.886 0.875 . . . . 54.13 111.547 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.0 mt -64.41 -34.69 78.76 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.974 0.796 . . . . 35.41 111.332 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 43.3 t80 -63.0 -49.8 73.23 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 123.748 0.655 . . . . 63.41 109.913 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 68.4 m-80 -65.88 -39.23 90.48 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.798 0.686 . . . . 65.44 111.185 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 8' ' ' ILE . 75.2 mt -60.1 -46.84 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 75.42 109.865 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.35 94.07 Favored Glycine 0 C--N 1.348 1.216 0 O-C-N 124.369 1.043 . . . . 71.14 112.062 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.3 mt -60.99 -43.62 98.58 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.046 0.538 . . . . 65.1 110.315 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 14.0 mm-40 -72.43 -28.07 62.73 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.826 0.704 . . . . 73.43 112.165 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HE3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 mptp? -62.94 -48.02 80.69 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.067 -0.716 . . . . 75.3 109.067 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.15 -29.04 70.19 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.424 -1.262 . . . . 33.12 110.964 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 34.5 mmtp -66.21 -40.0 90.05 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.659 0.784 . . . . 71.21 110.733 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.8 mtm -81.23 -2.04 47.22 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.223 -0.899 . . . . 71.01 111.285 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.5 4.36 90.08 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 119.823 -0.432 . . . . 74.13 112.656 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -83.23 68.38 9.6 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 122.319 1.056 . . . . 75.21 109.165 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.58 -25.76 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 113.882 -1.508 . . . . 74.35 111.492 -169.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -40.02 80.64 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.037 0.535 . . . . 73.43 110.278 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.99 -41.9 77.21 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.67 0.606 . . . . 71.03 109.681 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.36 69.62 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.365 1.041 . . . . 72.43 111.154 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.8 mt -52.05 -52.05 26.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.946 1.298 . . . . 71.45 110.821 174.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.06 -41.88 88.98 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.921 0.763 . . . . 73.45 111.857 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 63.7 m-85 -71.55 -34.19 69.79 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.793 -0.64 . . . . 75.33 111.656 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.39 -28.43 62.01 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.392 0.433 . . . . 62.5 110.345 176.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.34 -50.09 55.74 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.17 -0.678 . . . . 74.11 109.17 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 57' ' ' VAL . 79.1 mtp180 -63.14 -48.88 76.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.684 -1.144 . . . . 75.24 110.365 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.03 75.49 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.141 0.977 . . . . 65.51 111.536 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.05 -46.47 82.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.57 1.169 . . . . 63.01 110.725 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -65.43 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.348 1.03 . . . . 73.11 111.036 -177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' ARG . 85.7 t -72.18 -36.71 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.907 0.483 . . . . 64.2 110.212 174.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.77 -30.47 69.92 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.605 0.362 . . . . 64.23 110.726 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -70.16 -34.42 72.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.207 0.603 . . . . 72.23 110.179 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.03 72.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.36 0.664 . . . . 73.34 110.681 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -78.98 -14.57 59.12 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.314 0.646 . . . . 73.41 111.163 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.7 m80 64.69 21.09 12.33 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.199 1.4 . . . . 74.4 111.839 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.91 102.64 11.81 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.629 1.172 . . . . 73.12 109.212 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -68.27 -38.99 82.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.039 0.536 . . . . 53.01 111.804 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.93 -50.18 74.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.661 0.784 . . . . 64.33 111.077 -175.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.17 83.11 Favored Glycine 0 C--N 1.346 1.115 0 O-C-N 124.117 0.886 . . . . 71.12 112.985 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.89 90.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.64 0.376 . . . . 64.11 111.035 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -69.59 -31.06 68.98 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.606 0.762 . . . . 71.12 111.0 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -74.28 -37.49 63.67 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.564 0.746 . . . . 71.51 110.508 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.68 61.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.355 0.662 . . . . 13.31 110.469 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.38 64.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.591 0.756 . . . . 61.33 111.193 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.44 -44.87 61.79 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.967 0.507 . . . . 74.31 109.959 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.1 m -63.47 -29.56 70.82 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.476 -0.784 . . . . 73.22 110.654 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.34 -45.54 79.88 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.663 0.785 . . . . 71.22 111.019 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -58.34 -49.87 75.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.976 0.51 . . . . 75.41 110.179 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -61.79 -36.29 80.67 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.789 0.836 . . . . 74.52 111.69 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.35 79.57 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.128 0.571 . . . . 72.13 111.18 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -65.4 -30.67 71.5 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.571 0.349 . . . . 72.1 111.276 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -68.61 -30.06 68.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.59 0.756 . . . . 75.3 111.36 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.19 -26.65 33.18 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.548 0.739 . . . . 61.54 111.583 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.477 0.898 0 C-N-CA 123.77 0.828 . . . . 63.24 109.548 171.375 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo . . . . . 0 N--CA 1.491 1.376 0 N-CA-C 112.665 0.217 . . . . 75.44 112.665 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.08 -45.03 96.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.369 1.068 . . . . 73.21 110.747 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.45 -32.87 68.83 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.099 -0.955 . . . . 61.3 110.521 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.83 -36.17 79.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.005 0.522 . . . . 63.33 109.913 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.29 -44.39 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.358 1.063 . . . . 62.14 110.639 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.77 68.84 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.755 0.822 . . . . 64.23 112.13 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.5 -42.97 86.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.03 0.532 . . . . 63.14 109.916 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -74.25 -25.16 59.47 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.681 0.792 . . . . 74.31 111.43 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.91 -48.2 79.98 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.639 0.775 . . . . 63.11 109.596 172.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.15 -42.33 99.44 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.886 -1.052 . . . . 63.21 110.416 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.44 65.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.685 0.794 . . . . 54.44 112.248 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.69 -45.4 65.09 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.997 0.919 . . . . 64.32 110.446 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.522 -0.763 . . . . 73.12 110.99 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.16 -41.75 98.6 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.958 -1.019 . . . . 72.34 110.355 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.21 77.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.294 -0.866 . . . . 72.02 110.471 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.12 -41.23 83.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.525 0.73 . . . . 64.32 111.641 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.29 -41.89 76.64 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.146 0.979 . . . . 53.12 110.447 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 68.7 mt -89.71 -2.81 58.37 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.014 -0.994 . . . . 52.13 111.665 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 68.57 27.62 6.08 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.999 1.32 . . . . 63.03 111.23 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.551 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.1 mm-40 -74.22 91.05 2.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.649 1.18 . . . . 65.1 109.984 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -58.74 10.36 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.338 0.399 . . . . 65.33 112.515 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.07 -39.84 63.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.896 0.879 . . . . 74.54 112.035 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 23' ' ' GLN . 5.6 mp -74.61 -28.28 60.82 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.077 0.551 . . . . 73.55 112.179 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.71 -43.03 73.23 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.994 -0.373 . . . . 73.3 109.994 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.18 96.71 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 115.324 -0.853 . . . . 74.31 112.012 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -66.01 -41.44 91.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.497 0.719 . . . . 63.31 110.619 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.87 79.15 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.514 0.725 . . . . 44.3 110.735 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.69 -42.7 90.93 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.977 0.911 . . . . 74.13 111.064 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.68 -41.87 91.66 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.411 1.084 . . . . 72.32 110.95 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -68.53 -45.46 72.16 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.465 0.706 . . . . 73.03 110.39 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.45 -37.31 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.572 . . . . 72.03 110.186 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.08 -45.28 96.25 Favored Glycine 0 C--N 1.345 1.052 0 O-C-N 123.987 0.804 . . . . 64.31 111.971 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.72 -31.42 72.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.341 0.657 . . . . 75.35 111.071 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.559 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 28.7 mm-40 -72.82 -33.17 66.01 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.673 0.389 . . . . 73.01 110.868 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HE3' ' HE2' ' A' ' 50' ' ' TYR . 73.6 mmtt -71.31 -40.9 70.52 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.97 0.508 . . . . 74.32 109.998 173.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.34 -38.48 91.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.594 1.158 . . . . 72.32 110.719 -176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HD2' ' HA ' ' A' ' 37' ' ' GLU . 12.1 ptmt -75.36 -23.13 57.14 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.556 0.742 . . . . 74.31 110.944 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 77.1 mtm -92.28 0.24 57.44 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.354 0.661 . . . . 74.33 112.328 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.84 10.8 84.96 Favored Glycine 0 C--N 1.348 1.217 0 N-CA-C 113.492 0.157 . . . . 45.14 113.492 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -92.72 55.37 2.42 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 73.43 108.224 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 80' ' ' LYS . 43.4 t -71.83 -25.8 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 114.297 -1.32 . . . . 72.43 112.302 -163.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -67.39 -39.29 85.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.798 0.439 . . . . 64.12 110.096 177.749 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.22 -42.54 88.57 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 123.809 0.693 . . . . 61.51 109.71 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.6 71.15 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.312 1.045 . . . . 63.34 111.11 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.16 -51.46 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.726 1.267 . . . . 73.31 110.886 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 36.7 mt-10 -62.16 -40.01 94.54 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.055 0.847 . . . . 64.15 111.039 -174.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.423 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 63.7 m-85 -69.2 -38.46 78.62 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.198 0.599 . . . . 73.32 111.604 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -71.04 -29.87 65.9 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.388 0.43 . . . . 54.25 110.523 177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.32 -44.88 67.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.326 0.65 . . . . 75.55 109.381 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.5 mtp180 -64.91 -48.7 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.862 -1.063 . . . . 64.22 110.081 176.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.15 -46.95 79.08 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.187 0.995 . . . . 70.41 111.201 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.92 -38.9 92.8 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.055 1.342 . . . . 73.31 110.837 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -68.73 -31.98 71.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.91 0.884 . . . . 72.12 110.759 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 53' ' ' ARG . 89.3 t -74.42 -41.41 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.828 0.451 . . . . 75.32 110.007 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -66.64 -30.08 70.26 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.034 0.534 . . . . 73.12 110.687 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -70.4 -38.02 74.57 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.72 1.208 . . . . 73.14 110.065 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.59 80.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.644 -0.707 . . . . 70.34 110.455 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 18.8 mm-40 -71.48 -12.35 61.35 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.785 0.834 . . . . 75.41 110.716 173.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 m80 63.01 25.36 15.0 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.848 1.259 . . . . 73.12 111.622 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -96.12 94.21 7.4 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.115 -1.439 . . . . 73.35 107.115 171.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.8 t -60.32 -35.7 76.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.032 -0.531 . . . . 72.21 111.407 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.6 -34.38 72.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.467 0.707 . . . . 75.02 111.443 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.6 -40.32 86.03 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.672 -0.571 . . . . 70.21 111.672 175.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.44 88.75 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.328 0.651 . . . . 72.4 110.838 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.06 -28.53 64.44 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.996 0.918 . . . . 72.04 111.17 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -40.25 71.61 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.296 -0.631 . . . . 50.34 109.296 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.4 -29.99 69.64 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.864 -0.607 . . . . 54.25 110.481 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 -27.85 62.57 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.904 0.882 . . . . 71.23 111.6 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -49.63 63.78 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.254 -0.647 . . . . 73.4 109.254 174.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.0 m -63.4 -30.92 71.96 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.429 -0.805 . . . . 43.12 111.27 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 13.2 mt -67.22 -48.18 68.59 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.657 0.783 . . . . 74.14 111.748 175.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.1 p -63.69 -35.24 79.9 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.481 0.313 . . . . 71.04 110.732 -176.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.71 -43.75 98.0 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.764 0.826 . . . . 64.14 110.192 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.955 -1.021 . . . . 75.42 111.505 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -69.54 -21.71 63.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.726 0.81 . . . . 74.14 111.694 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -78.04 -30.79 50.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.822 0.449 . . . . 61.2 111.407 173.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.68 ' HB2' HG11 ' A' ' 44' ' ' VAL . 97.6 mttt -81.6 -25.46 35.71 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.678 0.391 . . . . 73.24 111.087 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 N--CA 1.477 0.903 0 C-N-CA 123.345 0.658 . . . . 71.32 109.494 173.791 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.493 ' O ' HG13 ' A' ' 8' ' ' ILE . 74.5 Cg_exo . . . . . 0 N--CA 1.495 1.6 0 N-CA-C 112.34 0.092 . . . . 73.31 112.34 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.29 -44.76 80.17 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.476 1.111 . . . . 62.13 111.122 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -64.53 -37.95 89.33 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.509 1.124 . . . . 72.05 109.694 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 41.7 m-80 -68.64 -31.26 70.28 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.149 0.58 . . . . 74.31 111.245 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.672 HG23 HG23 ' A' ' 34' ' ' ILE . 80.0 mt -62.03 -43.42 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.233 0.613 . . . . 71.31 110.18 177.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.25 64.05 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.945 0.898 . . . . 55.13 111.702 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 62.4 tttp -67.82 -49.53 61.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.78 0.832 . . . . 53.55 110.659 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -62.34 -33.98 75.76 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.221 0.608 . . . . 50.53 111.128 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.8 -35.27 74.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.078 0.951 . . . . 74.52 111.354 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -77.12 -39.2 50.21 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.691 -0.686 . . . . 72.35 110.369 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.78 77.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.522 0.729 . . . . 74.51 110.264 172.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.436 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 48.1 t80 -62.02 -35.16 77.75 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.378 -1.283 . . . . 75.22 111.432 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -64.52 -34.34 78.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.689 0.396 . . . . 64.54 110.795 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -72.95 -45.15 59.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.092 0.87 . . . . 62.23 110.41 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.25 -41.61 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.135 0.974 . . . . 62.44 111.103 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -73.29 -41.31 63.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.264 1.426 . . . . 74.14 110.19 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.45 -40.04 81.54 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.114 1.365 . . . . 75.55 111.513 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.0 mt -87.69 -5.56 58.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.171 -0.922 . . . . 61.01 111.306 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 62.43 37.85 13.24 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.816 1.247 . . . . 61.44 111.593 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -97.49 86.5 3.87 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.003 -1.11 . . . . 61.31 108.003 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.63 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 123.822 0.701 . . . . 73.24 114.496 -172.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.82 -51.77 51.75 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.886 -0.783 . . . . 73.41 108.886 171.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.29 -34.46 77.73 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.203 1.001 . . . . 75.43 111.127 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.9 mtp -69.38 -50.09 49.29 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.901 0.881 . . . . 72.35 110.606 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.0 99.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 123.794 0.684 . . . . 61.23 112.215 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -63.3 -40.38 97.2 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.305 1.042 . . . . 62.32 110.637 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 15' ' ' TYR . . . -63.18 -50.99 68.15 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.696 0.799 . . . . 71.01 110.145 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 34' ' ' ILE . 93.6 mt -63.54 -33.34 75.38 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.885 0.874 . . . . 62.32 111.162 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.48 -42.49 87.41 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.779 0.674 . . . . 74.51 109.895 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -44.39 85.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.559 0.743 . . . . 72.0 110.362 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.672 HG23 HG23 ' A' ' 8' ' ' ILE . 88.2 mt -56.23 -44.24 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 124.21 0.944 . . . . 75.23 110.101 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.67 -42.13 99.73 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 124.135 0.897 . . . . 41.42 112.468 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.51 -35.42 80.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.161 0.585 . . . . 61.52 111.003 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.97 -40.63 75.28 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.589 0.756 . . . . 71.25 110.665 178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.23 -42.93 96.26 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.275 0.63 . . . . 74.54 109.98 173.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -60.61 -46.29 90.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.242 1.417 . . . . 70.51 111.019 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -75.65 -24.03 56.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.102 0.561 . . . . 65.33 112.081 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.9 mtp -75.81 -16.77 60.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.104 0.562 . . . . 70.52 111.082 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.4 -1.21 64.15 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 119.784 -0.453 . . . . 51.23 112.546 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -87.21 67.3 9.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.231 1.012 . . . . 62.04 109.826 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.602 HG11 ' HB2' ' A' ' 80' ' ' LYS . 44.8 t -72.46 -26.84 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 114.375 -1.284 . . . . 73.51 111.6 -171.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -40.66 79.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.005 0.522 . . . . 75.43 109.696 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.03 -36.68 75.23 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.798 0.686 . . . . 74.35 110.394 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -47.41 74.07 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.706 0.802 . . . . 52.42 109.985 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -47.41 77.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 124.515 1.134 . . . . 63.31 111.418 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.29 -48.62 73.8 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.976 0.798 . . . . 74.33 110.637 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -71.04 -32.18 68.83 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.499 -0.773 . . . . 54.4 112.595 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -75.52 -30.13 59.68 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.921 0.328 . . . . 62.21 110.406 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.2 -45.44 69.91 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.775 -0.824 . . . . 70.22 108.775 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 57' ' ' VAL . 70.6 mtp180 -61.5 -50.79 71.28 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 114.177 -1.374 . . . . 73.45 110.6 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.2 73.82 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.485 1.114 . . . . 41.25 110.674 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.48 -43.78 98.26 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.131 0.972 . . . . 74.21 111.264 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -39.32 94.04 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.055 0.847 . . . . 64.33 110.443 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 53' ' ' ARG . 61.9 t -68.6 -42.44 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 122.945 0.498 . . . . 62.42 109.89 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -64.56 -34.17 77.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.781 0.832 . . . . 70.04 111.222 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.22 -36.1 78.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.761 0.824 . . . . 74.52 110.044 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.4 80.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.202 -0.908 . . . . 64.3 110.7 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 13.2 mm-40 -75.82 -11.26 59.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.879 0.872 . . . . 73.3 111.494 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 64.69 21.63 12.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.502 1.121 . . . . 63.34 110.95 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -83.6 99.82 10.42 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.214 -1.032 . . . . 73.14 108.214 173.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 t -65.72 -41.13 92.63 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.945 -1.025 . . . . 63.44 111.418 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.56 -44.34 87.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.689 0.796 . . . . 73.25 111.597 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.12 -37.12 86.79 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.654 0.596 . . . . 35.11 112.516 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -37.76 88.6 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.069 0.548 . . . . 54.11 110.205 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.37 -32.51 70.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.783 0.833 . . . . 72.22 111.206 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -50.18 70.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.283 1.033 . . . . 73.3 109.436 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.83 86.91 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.609 -1.178 . . . . 75.22 110.778 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.45 70.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.731 0.813 . . . . 63.03 112.096 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.64 -48.87 44.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.866 0.866 . . . . 62.11 109.877 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -65.91 -29.88 70.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.808 -1.087 . . . . 72.05 110.23 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.38 -46.75 82.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.044 0.938 . . . . 62.32 110.855 170.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.4 t -58.59 -33.13 69.64 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.42 0.688 . . . . 72.13 110.821 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -76.91 -37.83 54.66 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.819 0.847 . . . . 73.12 110.671 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.27 82.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.734 0.814 . . . . 73.55 111.723 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -68.14 -26.1 65.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.139 0.576 . . . . 64.22 111.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -61.77 -44.49 96.79 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.166 0.587 . . . . 73.43 110.471 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.602 ' HB2' HG11 ' A' ' 44' ' ' VAL . 47.7 mttm -69.61 -38.68 77.36 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.999 -1.001 . . . . 70.52 110.713 -174.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 124.188 0.995 . . . . 52.32 110.992 178.211 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.556 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 8.0 Cg_endo . . . . . 0 N--CA 1.492 1.401 0 N-CA-C 114.899 1.077 . . . . 75.22 114.899 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 8' ' ' ILE . 26.3 t70 -57.97 -46.48 85.08 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.874 0.734 . . . . 74.42 111.064 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -68.92 -34.7 75.81 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.967 -1.015 . . . . 33.41 109.232 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.09 -31.46 70.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.027 0.931 . . . . 73.14 111.497 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 5' ' ' ASP . 91.1 mt -52.54 -51.21 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.577 0.751 . . . . 73.13 109.726 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -34.11 77.61 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.544 0.738 . . . . 51.32 112.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -64.99 -41.11 95.7 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.373 0.669 . . . . 54.44 110.288 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.12 -25.13 51.77 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.276 -0.875 . . . . 63.42 111.115 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 53.0 mt-10 -72.83 -31.99 65.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.015 0.526 . . . . 63.21 110.707 173.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.99 59.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.114 0.566 . . . . 74.12 109.716 174.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.19 66.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.453 0.701 . . . . 75.45 110.26 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -70.09 -44.16 69.61 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.822 0.849 . . . . 74.32 110.301 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -73.12 -31.6 64.41 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.742 0.652 . . . . 74.31 111.123 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -69.99 -29.46 66.54 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.986 0.422 . . . . 63.53 110.035 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.12 60.43 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.556 0.742 . . . . 72.32 110.877 172.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.55 -33.87 60.7 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.551 1.14 . . . . 54.51 111.414 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.36 -31.71 71.29 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.152 0.501 . . . . 73.14 110.266 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.98 -16.61 57.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.14 -0.937 . . . . 44.31 110.316 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 62.4 25.66 15.31 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.926 1.291 . . . . 75.43 110.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -97.25 92.23 5.9 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.366 -0.834 . . . . 61.11 109.107 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.64 -31.0 57.29 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.173 -0.921 . . . . 70.2 114.582 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 9.3 pt-20 -61.65 -30.52 70.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.896 0.478 . . . . 70.14 111.504 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -81.23 -42.59 20.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.386 1.074 . . . . 54.01 111.217 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 85.0 mtp -63.2 -43.07 99.19 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.269 1.028 . . . . 70.45 111.926 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -32.03 82.4 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.54 -0.755 . . . . 73.12 112.667 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 95.0 mtt180 -59.54 -50.19 74.85 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.216 -0.661 . . . . 73.22 109.216 175.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.08 91.86 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.587 1.18 . . . . 74.11 111.625 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 53' ' ' ARG . 91.6 mt -66.15 -39.59 89.93 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.498 0.719 . . . . 70.2 110.84 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -64.21 -38.32 90.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.529 0.731 . . . . 74.43 110.177 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -64.32 -48.65 74.8 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.461 0.705 . . . . 74.12 110.673 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 72.2 mt -59.96 -37.98 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 124.075 0.86 . . . . 65.34 110.08 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.77 96.79 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 124.007 0.817 . . . . 44.35 112.333 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.26 -34.01 77.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.271 0.628 . . . . 62.24 110.652 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.04 -45.66 76.79 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.715 0.634 . . . . 62.42 110.662 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 73.7 mmtt -60.0 -43.74 95.0 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.389 0.676 . . . . 71.05 110.196 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -64.01 -43.82 94.47 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.332 1.053 . . . . 75.51 110.797 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.556 ' HD2' ' HB3' ' A' ' 4' ' ' PRO . 16.4 ptpt -75.29 -23.18 57.34 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.681 0.392 . . . . 71.2 110.956 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.6 mtp -75.39 -15.36 60.47 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.493 0.717 . . . . 64.23 110.973 170.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.51 -13.84 59.54 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 116.075 -0.511 . . . . 74.34 112.694 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -84.71 70.89 10.85 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 122.05 0.929 . . . . 63.34 109.888 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.46 -24.09 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 114.129 -1.396 . . . . 72.13 111.215 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -56.06 -52.5 64.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.553 0.741 . . . . 51.34 111.257 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.47 -33.34 72.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.647 0.379 . . . . 73.2 110.775 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.1 74.61 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.744 0.818 . . . . 51.22 111.061 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -53.81 -52.34 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 124.7 1.25 . . . . 75.52 110.981 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 52' ' ' LEU . 49.0 mt-10 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.028 0.83 . . . . 63.01 111.309 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -74.8 -31.32 61.68 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.053 0.76 . . . . 74.41 113.053 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -75.44 -27.44 58.94 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.75 -0.463 . . . . 61.13 109.75 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 49' ' ' GLU . 90.1 mt -69.2 -44.92 71.13 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.572 0.749 . . . . 65.03 109.35 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 57' ' ' VAL . 76.3 mtp180 -67.48 -44.85 77.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.376 -0.829 . . . . 73.15 110.843 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.86 -47.79 83.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.261 0.624 . . . . 24.34 110.471 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.5 -41.17 96.89 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.382 1.051 . . . . 75.44 110.896 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.53 -46.17 87.34 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 124.092 0.87 . . . . 60.21 110.87 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 53' ' ' ARG . 73.3 t -69.47 -44.31 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 115.088 -0.96 . . . . 73.0 110.533 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -64.69 -30.86 71.88 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.311 0.644 . . . . 71.4 111.769 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.28 -37.76 81.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.201 1.0 . . . . 72.1 109.414 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.43 68.75 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.789 -1.096 . . . . 65.44 111.012 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 19.4 mm-40 -76.62 -14.65 59.97 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.312 0.645 . . . . 75.0 111.862 175.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 m170 63.03 27.67 15.94 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.03 0.932 . . . . 74.11 111.408 -172.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.04 99.33 11.82 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.361 -0.978 . . . . 73.43 108.361 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.3 t -61.88 -40.55 95.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.388 0.675 . . . . 64.42 111.672 -173.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 14.7 m-20 -68.29 -32.5 72.69 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.303 0.641 . . . . 75.22 111.642 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.61 87.79 Favored Glycine 0 CA--C 1.526 0.766 0 O-C-N 123.441 0.463 . . . . 74.22 112.005 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.13 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.285 0.634 . . . . 74.03 111.232 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 65' ' ' ASP . 97.4 mtt180 -64.63 -53.71 43.36 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 61.55 110.43 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -69.96 -33.92 72.73 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.394 -0.821 . . . . 71.02 111.276 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -42.78 63.79 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 122.906 0.483 . . . . 74.35 110.484 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.54 65.47 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.766 0.666 . . . . 33.25 110.982 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.6 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 1.2 tpmt? -76.41 -40.64 50.23 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.017 0.527 . . . . 73.44 110.326 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.0 t -68.03 -32.21 72.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.674 0.79 . . . . 70.41 109.802 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -47.01 88.35 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.438 -0.801 . . . . 73.1 110.657 168.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m -61.72 -36.49 81.1 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.667 0.605 . . . . 74.32 111.555 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.6 -42.33 82.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.605 0.762 . . . . 70.33 110.746 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.12 95.35 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.328 1.051 . . . . 74.23 111.9 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -72.28 -23.63 61.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.23 0.612 . . . . 71.12 111.805 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.34 -21.06 56.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.712 0.405 . . . . 75.5 111.165 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -82.19 -44.44 16.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.641 0.776 . . . . 74.22 109.71 174.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 CA--C 1.547 0.862 0 CA-C-N 115.463 -0.79 . . . . 75.04 110.016 177.115 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 N--CA 1.497 1.683 0 N-CA-C 112.937 0.322 . . . . 74.44 112.937 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.724 ' HA ' HD12 ' A' ' 8' ' ' ILE . 28.4 t70 -62.35 -43.44 98.82 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.051 0.94 . . . . 63.24 111.397 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.47 -47.6 84.93 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 61.42 110.092 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.474 ' HA ' ' HZ3' ' A' ' 10' ' ' LYS . 84.7 m-20 -56.2 -39.76 72.94 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 124.227 0.954 . . . . 73.32 111.058 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 5' ' ' ASP . 67.5 mt -51.87 -54.47 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.747 1.219 . . . . 71.32 111.748 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -62.37 -33.4 74.66 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.237 0.961 . . . . 54.1 111.253 -176.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HZ3' ' HA ' ' A' ' 7' ' ' ASN . 7.4 ttpm? -72.94 -42.55 63.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.62 0.768 . . . . 72.22 110.802 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -72.33 -22.68 61.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.384 0.673 . . . . 74.02 111.311 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -73.85 -35.47 64.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 62.34 110.245 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 56.5 mttm -68.34 -41.17 81.13 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.374 -0.602 . . . . 71.42 109.374 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.19 68.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.914 -1.039 . . . . 71.24 111.632 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.34 -37.78 80.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.106 0.962 . . . . 64.4 110.899 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.62 -36.86 79.2 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.859 0.362 . . . . 74.44 111.218 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -69.68 -39.5 76.96 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.973 0.909 . . . . 73.43 109.076 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.11 85.24 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.68 -1.145 . . . . 71.12 110.604 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.91 -41.45 95.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.396 -1.274 . . . . 74.51 110.464 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.48 -40.28 82.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.511 1.124 . . . . 70.2 111.681 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.8 mt -94.77 11.3 31.93 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.591 -0.731 . . . . 44.43 111.676 -177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 64.06 22.56 12.96 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.805 1.242 . . . . 75.42 111.841 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -83.65 85.02 7.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.777 0.831 . . . . 75.35 109.761 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.73 78.24 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-N 115.783 -0.644 . . . . 54.31 111.99 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.3 -51.51 64.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.007 0.923 . . . . 73.44 110.369 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.4 mt -67.76 -39.37 84.15 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.266 -0.879 . . . . 75.42 111.207 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.6 mtm -65.72 -39.22 90.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.671 0.389 . . . . 64.33 111.821 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.87 -46.43 82.3 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.019 -0.832 . . . . 51.52 111.019 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.43 -35.72 78.36 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.558 0.743 . . . . 74.24 110.905 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.65 42.51 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.95 0.782 . . . . 42.11 110.739 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.5 -34.61 78.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.27 0.628 . . . . 71.21 111.159 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' OH ' ' HG2' ' A' ' 69' ' ' ARG . 64.3 t80 -66.93 -43.89 82.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 61.2 110.599 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 36.8 t-20 -67.05 -46.98 72.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.779 0.832 . . . . 61.32 109.847 -177.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.6 HG23 HG23 ' A' ' 8' ' ' ILE . 81.3 mt -56.83 -44.22 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.542 1.137 . . . . 53.03 110.543 173.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.31 -41.3 99.47 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.877 0.735 . . . . 62.2 112.834 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.69 -47.96 80.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.068 0.547 . . . . 62.31 109.967 174.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 12.2 mm-40 -62.83 -30.78 71.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.842 0.714 . . . . 75.42 112.364 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.35 -47.53 83.8 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.851 -0.426 . . . . 74.13 109.851 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -64.19 -31.9 73.27 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 124.335 1.022 . . . . 73.03 111.338 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -63.48 -39.33 94.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.548 0.739 . . . . 61.34 110.615 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.6 mtm -88.92 0.54 56.52 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.515 0.726 . . . . 74.43 112.042 -175.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.54 9.5 78.68 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-O 119.904 -0.387 . . . . 71.4 113.643 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.64 69.29 9.67 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.099 -1.074 . . . . 73.41 108.099 170.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 80' ' ' LYS . 57.5 t -74.56 -30.35 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 115.009 -0.996 . . . . 62.34 111.945 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -68.18 -40.07 82.35 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.196 -0.668 . . . . 65.05 109.196 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.93 -35.2 66.97 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.379 -0.828 . . . . 73.01 109.604 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.51 72.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.204 0.94 . . . . 41.52 110.302 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -52.22 -49.78 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 124.809 1.318 . . . . 65.32 111.404 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -45.44 82.95 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.205 1.402 . . . . 74.54 110.298 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -71.94 -33.49 68.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.629 0.772 . . . . 75.32 112.495 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -71.02 -29.75 65.77 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.433 0.293 . . . . 75.11 110.433 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.39 -43.94 63.21 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.812 0.695 . . . . 54.3 109.416 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' VAL . 58.9 mtt180 -61.05 -53.47 56.74 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.012 0.82 . . . . 72.15 109.827 176.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.3 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.653 1.181 . . . . 73.32 111.994 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -58.21 -45.72 87.12 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.674 1.234 . . . . 61.3 110.657 -178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.09 -36.31 83.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.964 0.79 . . . . 73.24 111.2 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 53' ' ' ARG . 44.4 t -68.61 -39.4 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 N-CA-C 109.74 -0.467 . . . . 55.22 109.74 176.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -63.06 -35.32 79.85 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.572 0.749 . . . . 72.55 110.761 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.33 -35.17 73.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.998 0.519 . . . . 70.23 110.924 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.55 82.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.574 0.75 . . . . 64.2 110.515 175.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -83.43 -11.98 56.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.18 0.992 . . . . 74.11 111.259 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 66.17 22.81 11.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.642 1.177 . . . . 63.44 112.279 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.45 94.69 5.61 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.246 -1.02 . . . . 71.01 108.246 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -64.4 -33.85 76.81 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.016 -0.993 . . . . 62.3 111.801 -175.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.49 -59.11 5.65 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.315 1.046 . . . . 44.24 111.7 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.05 68.31 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-N 115.794 -0.639 . . . . 61.32 113.078 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.12 85.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.89 0.376 . . . . 23.33 111.095 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -72.06 -32.36 67.01 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.323 0.649 . . . . 71.04 110.701 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HG2' ' OH ' ' A' ' 32' ' ' TYR . 71.3 ttt180 -74.55 -32.7 62.52 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.688 0.795 . . . . 73.34 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.04 70.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.749 -0.66 . . . . 71.14 109.456 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.11 70.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.797 0.839 . . . . 73.25 111.445 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -68.57 -49.33 60.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.563 0.745 . . . . 74.25 109.794 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.6 m -63.95 -30.36 71.45 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.772 -0.649 . . . . 54.4 111.714 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.82 -43.56 71.78 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.642 0.777 . . . . 72.21 110.676 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.9 t -58.37 -37.24 74.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.463 0.705 . . . . 72.24 110.288 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.86 -47.04 55.72 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.369 1.068 . . . . 63.14 110.926 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.71 88.43 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.036 0.935 . . . . 62.03 111.718 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -66.97 -36.38 82.06 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.779 0.431 . . . . 74.11 110.851 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.63 -33.13 71.12 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.422 0.689 . . . . 75.23 111.257 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HB2' HG11 ' A' ' 44' ' ' VAL . 92.3 mttt -75.78 -34.21 60.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.301 0.641 . . . . 74.11 110.758 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 123.803 0.841 . . . . 72.54 111.409 179.122 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 112.441 -0.264 . . . . 71.12 112.441 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.3 44.49 0.02 OUTLIER Glycine 0 C--N 1.34 0.8 0 N-CA-C 111.147 -0.781 . . . . 74.44 111.147 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -63.24 146.16 96.3 Favored Pre-proline 0 N--CA 1.477 0.92 0 CA-C-O 118.553 -0.737 . . . . 75.25 110.235 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.1 Cg_exo -58.85 -38.74 86.91 Favored 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 122.49 2.126 . . . . 74.32 113.707 -171.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.562 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.8 t70 -73.07 -29.31 62.87 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.221 0.534 . . . . 75.01 111.018 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.34 -31.6 62.5 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.916 0.886 . . . . 54.4 110.218 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.32 -35.93 80.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.715 0.806 . . . . 62.23 109.589 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 5' ' ' ASP . 88.1 mt -56.91 -40.21 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.228 1.011 . . . . 71.51 111.289 175.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -36.22 69.96 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.76 0.663 . . . . 73.31 111.14 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -75.51 -40.57 56.91 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 122.899 0.48 . . . . 70.31 110.936 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -67.8 -25.73 65.73 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.457 0.703 . . . . 74.14 112.331 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.22 -37.03 66.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.781 0.832 . . . . 71.1 110.175 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -45.04 85.98 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.134 0.574 . . . . 73.11 109.49 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.5 69.93 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.99 -1.005 . . . . 72.03 111.13 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -67.87 -43.28 79.77 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.202 0.601 . . . . 73.34 110.259 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.97 -30.28 71.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.323 0.649 . . . . 74.42 111.415 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -73.1 -40.22 65.16 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.188 0.595 . . . . 72.44 110.145 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.6 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.624 0.77 . . . . 64.52 110.822 174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -75.98 -39.4 55.97 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.374 1.47 . . . . 70.5 111.513 -170.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -67.57 -32.77 73.75 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.054 0.454 . . . . 74.25 110.13 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.42 -11.33 58.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.585 0.754 . . . . 74.34 111.343 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 m120 64.94 22.44 12.47 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 125.04 1.336 . . . . 73.4 112.543 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -93.08 90.52 6.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.431 -0.951 . . . . 74.02 108.431 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' HB2' ' A' ' 27' ' ' MET . . . -63.91 -18.94 62.76 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 115.408 0.923 . . . . 74.22 115.408 -171.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.27 -46.06 90.48 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 109.393 -0.595 . . . . 74.24 109.393 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.56 -41.05 69.55 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.511 1.124 . . . . 54.35 110.762 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.432 ' HB2' ' HA2' ' A' ' 24' ' ' GLY . 81.2 mtp -62.8 -40.29 96.91 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.107 0.963 . . . . 71.21 110.872 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.34 -50.79 48.09 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 114.743 -1.117 . . . . 63.34 111.597 175.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -60.65 -31.8 71.0 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.253 0.621 . . . . 73.01 111.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.47 -52.04 55.82 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.467 0.707 . . . . 70.11 110.789 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 92.5 mt -69.05 -30.67 69.06 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.772 0.67 . . . . 74.41 110.887 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -64.82 -44.96 88.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.814 0.846 . . . . 62.14 110.325 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 94.8 m-20 -62.5 -44.4 96.46 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.866 0.729 . . . . 55.13 110.174 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.4 mt -55.87 -43.79 75.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.053 0.845 . . . . 64.3 110.649 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.88 -38.58 96.32 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.429 -0.805 . . . . 62.21 112.595 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.68 -40.42 96.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.337 0.655 . . . . 71.31 110.209 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 15.1 mm-40 -64.13 -43.12 96.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.141 0.901 . . . . 72.54 110.352 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HE2' HD13 ' A' ' 8' ' ' ILE . 74.6 mmtt -59.84 -48.58 81.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.147 0.579 . . . . 72.4 110.484 176.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.6 -41.91 95.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.39 1.076 . . . . 60.24 111.621 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -74.23 -23.1 59.12 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 122.564 0.346 . . . . 44.34 111.555 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 70.8 mtm -85.01 -8.56 58.66 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.219 0.607 . . . . 75.3 111.818 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.5 -0.53 65.68 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-O 120.145 -0.253 . . . . 74.4 112.908 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -81.53 69.83 8.27 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.773 0.829 . . . . 73.1 109.167 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 48' ' ' ILE . 98.0 t -67.86 -45.0 84.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 125.153 1.381 . . . . 60.12 111.626 -173.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -70.1 -33.79 72.3 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.883 0.873 . . . . 61.35 110.515 -176.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -71.61 -35.79 70.59 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.544 -0.753 . . . . 73.25 110.293 175.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.68 97.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.665 0.786 . . . . 65.31 110.655 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 81' ' ' VAL . 98.7 mt -53.2 -50.08 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 O-C-N 124.61 1.194 . . . . 61.11 111.109 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -54.13 -51.39 64.4 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 124.282 0.989 . . . . 73.15 110.83 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 55.6 m-85 -71.23 -31.4 67.52 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.124 0.787 . . . . 74.21 113.124 -175.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.66 -30.96 61.78 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 117.765 0.257 . . . . 74.32 110.563 175.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.8 mt -72.11 -43.44 64.74 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.174 0.59 . . . . 63.1 109.672 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 57' ' ' VAL . 71.8 mtt180 -70.94 -41.06 71.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.098 -0.955 . . . . 74.41 110.088 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.98 -50.53 73.73 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.844 0.715 . . . . 75.1 110.793 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -60.37 -43.2 96.8 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.716 1.26 . . . . 75.35 110.486 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -56.75 -41.96 78.48 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.741 1.216 . . . . 74.34 111.147 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.1 t -71.36 -38.23 68.32 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.859 -0.61 . . . . 63.25 110.256 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -63.0 -37.38 86.96 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.063 0.545 . . . . 64.44 111.324 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -66.34 -34.27 77.59 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.777 0.831 . . . . 60.31 110.353 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.66 86.73 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.537 0.735 . . . . 71.33 110.89 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.67 -13.66 59.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.85 0.86 . . . . 73.44 111.341 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.7 m80 67.78 21.63 9.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.255 1.422 . . . . 75.2 111.271 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -82.28 86.58 6.65 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.822 -1.177 . . . . 73.52 107.822 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 t -64.76 -24.07 67.44 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.412 -1.267 . . . . 74.24 111.876 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.31 -55.17 23.14 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 123.669 0.788 . . . . 65.22 110.603 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.34 72.0 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 124.054 0.847 . . . . 73.0 112.667 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.33 -46.96 86.38 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.101 0.561 . . . . 64.41 110.606 174.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -70.3 -30.52 67.54 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.006 0.922 . . . . 75.02 111.129 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -69.9 -42.62 73.14 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.969 0.908 . . . . 62.31 110.359 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.28 71.6 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 115.233 -0.894 . . . . 54.52 110.064 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -71.86 -27.41 62.86 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.644 0.778 . . . . 74.4 111.783 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -73.79 -42.13 61.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.097 0.559 . . . . 45.13 109.541 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.4 m -69.13 -28.99 66.95 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.83 0.852 . . . . 72.3 111.049 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 16.5 mt -64.33 -41.18 96.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.239 0.616 . . . . 73.11 110.735 170.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.9 t -63.45 -41.6 98.64 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 123.707 0.63 . . . . 74.14 110.042 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HA ' HE21 ' A' ' 79' ' ' GLN . 0.6 OUTLIER -57.44 -39.1 75.53 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.037 1.335 . . . . 71.23 110.96 174.113 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' VAL . . . -74.04 -44.31 54.73 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.789 0.836 . . . . 74.24 111.504 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -65.96 -30.41 70.96 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.552 0.741 . . . . 75.31 111.88 -174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.438 HE21 ' HA ' ' A' ' 76' ' ' GLU . 48.1 mt-30 -59.49 -37.93 79.55 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.714 0.634 . . . . 72.51 110.553 172.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -83.39 -10.26 58.54 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.139 0.976 . . . . 73.44 112.378 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 48' ' ' ILE . 46.4 t -86.45 -30.32 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 109.3 -0.629 . . . . 62.31 109.3 173.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -86.08 -69.24 0.68 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.159 0.984 . . . . 74.55 109.657 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -112.62 92.4 0.63 Allowed Glycine 0 C--N 1.35 1.336 0 N-CA-C 110.95 -0.86 . . . . 71.21 110.95 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.5 t -58.58 88.09 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.736 1.214 . . . . 73.32 112.707 -171.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.64 -65.1 4.18 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.447 -0.797 . . . . 60.32 112.867 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 28.4 t70 69.81 145.69 0.06 Allowed 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 125.476 1.51 . . . . 53.1 111.555 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 88.43 0.91 Allowed 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 108.173 -1.047 . . . . 70.33 108.173 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.3 157.78 28.62 Favored Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.716 -0.675 . . . . 71.12 112.094 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -87.81 95.12 9.97 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 109.26 -0.645 . . . . 53.11 109.26 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 pt -82.48 121.07 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 N-CA-C 108.635 -0.876 . . . . 72.15 108.635 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -77.49 79.46 3.99 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.359 0.663 . . . . 43.14 110.448 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -89.47 162.89 15.49 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.606 -0.725 . . . . 75.54 109.847 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.74 179.97 8.72 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 123.945 0.898 . . . . 75.04 109.331 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.06 163.31 27.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.576 0.75 . . . . 61.43 111.496 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.51 136.58 34.15 Favored Glycine 0 C--N 1.347 1.159 0 N-CA-C 111.407 -0.677 . . . . 45.4 111.407 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.5 96.04 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.312 0.645 . . . . 73.34 110.154 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.8 t -112.7 70.7 0.72 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.056 0.942 . . . . 74.31 108.943 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.4 mt -94.98 47.52 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 122.537 1.161 . . . . 63.1 108.116 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.8 mt -100.45 91.06 4.52 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-N 114.997 -1.002 . . . . 61.33 109.473 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 . . . . . 0 C--O 1.25 1.105 0 N-CA-C 107.988 -1.116 . . . . 71.12 107.988 175.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.694 -0.562 . . . . 51.11 111.694 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.06 -127.19 3.66 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 112.075 -0.41 . . . . 75.02 112.075 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -70.9 162.56 71.3 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 123.631 0.772 . . . . 53.03 111.128 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HB3' ' HB3' ' A' ' 37' ' ' GLU . 91.1 Cg_exo -48.14 -29.16 12.02 Favored 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.216 2.611 . . . . 74.13 114.052 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.5 m-20 -58.08 -43.19 86.88 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.774 1.229 . . . . 71.03 111.92 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.88 -33.07 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.867 0.467 . . . . 73.13 110.613 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -63.4 -39.13 93.67 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.604 -0.725 . . . . 74.3 109.952 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.8 mt -57.98 -41.76 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.34 1.056 . . . . 55.42 110.978 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -56.28 -40.42 74.22 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 124.048 0.842 . . . . 55.45 111.01 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -69.32 -39.72 78.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.721 0.809 . . . . 61.24 111.227 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -68.3 -27.43 66.3 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.409 -0.36 . . . . 74.54 110.523 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.95 -33.07 61.89 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.639 0.776 . . . . 73.13 110.687 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 61.4 mttm -64.19 -46.64 83.06 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.16 0.584 . . . . 71.21 109.613 172.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.4 68.2 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 114.608 -1.178 . . . . 63.23 111.294 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -70.86 -49.95 40.46 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.254 1.022 . . . . 73.3 110.704 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.86 -31.32 64.65 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.962 -0.563 . . . . 53.31 111.247 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -70.72 -40.94 72.52 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 123.467 0.479 . . . . 73.14 109.989 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 26' ' ' LEU . . . -55.88 -42.05 75.37 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.276 -0.874 . . . . 51.23 111.143 173.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.94 -39.17 93.53 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.555 -1.202 . . . . 75.42 110.685 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -61.88 -40.24 94.7 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.805 0.842 . . . . 65.51 110.749 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.04 -7.21 59.51 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 115.096 -0.956 . . . . 52.55 111.345 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER 62.77 21.25 12.66 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.945 1.298 . . . . 73.35 111.39 -179.058 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.401 ' HB2' HD12 ' A' ' 26' ' ' LEU . 52.2 mt-30 -95.02 101.27 13.02 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 124.013 0.925 . . . . 43.35 109.255 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.04 -24.79 74.55 Favored Glycine 0 C--O 1.216 -0.987 0 CA-C-N 115.581 -0.736 . . . . 71.32 112.319 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.68 -44.15 73.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.98 0.912 . . . . 72.33 111.398 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 33.6 mt -73.83 -37.22 64.92 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.989 0.915 . . . . 62.21 110.626 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 57.1 mtm -66.37 -38.61 87.97 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.217 0.607 . . . . 73.12 111.156 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.57 84.57 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 111.002 -0.839 . . . . 61.25 111.002 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -62.57 -38.56 90.55 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.19 0.596 . . . . 70.44 110.564 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 34' ' ' ILE . . . -60.64 -52.45 65.08 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.91 0.756 . . . . 53.24 110.279 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 66.5 mt -66.76 -38.63 87.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.971 0.908 . . . . 71.02 111.2 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.75 -42.74 93.87 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.128 0.971 . . . . 65.14 110.365 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -69.97 -44.9 68.52 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.09 -0.959 . . . . 63.52 110.795 -179.363 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 30' ' ' ALA . 89.7 mt -59.52 -33.58 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 124.038 0.836 . . . . 53.34 110.208 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.03 -44.48 95.82 Favored Glycine 0 C--N 1.348 1.213 0 CA-C-N 115.844 -0.616 . . . . 41.02 112.459 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.8 -34.41 78.29 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.307 0.643 . . . . 73.54 110.562 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.1 mm-40 -69.72 -38.45 76.9 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.349 0.66 . . . . 74.21 111.234 177.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HE2' HD13 ' A' ' 8' ' ' ILE . 5.3 mptp? -67.06 -43.38 82.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.092 0.557 . . . . 74.23 110.073 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.65 -41.99 96.08 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.067 0.854 . . . . 73.31 110.69 -173.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.65 -24.19 58.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.268 0.627 . . . . 73.51 112.069 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.2 mtm -86.86 6.96 29.25 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.146 0.578 . . . . 64.21 111.625 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.96 8.16 84.63 Favored Glycine 0 C--N 1.351 1.393 0 O-C-N 123.126 0.266 . . . . 51.53 113.395 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -93.65 55.37 2.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.5 1.12 . . . . 64.35 108.728 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.493 HG11 ' HB2' ' A' ' 80' ' ' LYS . 87.4 t -67.77 -32.21 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 113.778 -1.555 . . . . 73.12 111.901 -170.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -62.66 -43.94 97.52 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.904 0.481 . . . . 74.34 111.129 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -67.87 -42.07 81.88 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.75 -0.659 . . . . 64.44 109.69 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.71 67.66 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 124.486 1.116 . . . . 72.2 111.65 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 81' ' ' VAL . 88.6 mt -51.96 -54.08 15.1 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 O-C-N 124.598 1.186 . . . . 63.55 110.684 174.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 52' ' ' LEU . 45.5 mt-10 -64.86 -31.83 73.25 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.973 0.796 . . . . 73.45 111.701 -175.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 56.8 m-85 -70.84 -34.73 71.97 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.356 0.41 . . . . 64.2 111.283 175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.2 -28.1 59.86 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.892 0.477 . . . . 75.51 110.583 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 92.8 mt -69.59 -47.89 62.01 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.132 -0.692 . . . . 73.54 109.132 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 57' ' ' VAL . 78.3 mtp180 -62.54 -52.5 63.2 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 114.07 -1.423 . . . . 75.12 109.993 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.05 70.22 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.42 1.075 . . . . 41.55 111.212 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.83 -51.19 70.62 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.742 1.277 . . . . 75.53 111.057 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -67.49 -33.25 74.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.693 0.797 . . . . 72.42 111.478 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 53' ' ' ARG . 94.6 t -74.16 -32.97 33.76 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 C-N-CA 123.157 0.583 . . . . 73.33 109.585 177.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.01 -33.4 73.59 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.827 0.451 . . . . 75.12 110.509 171.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -67.39 -32.66 73.72 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.141 0.577 . . . . 74.02 110.346 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.68 -31.71 69.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.765 . . . . 60.5 111.026 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -87.82 -12.6 44.49 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.593 0.757 . . . . 75.04 111.784 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 65.58 24.99 11.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.591 1.156 . . . . 45.32 111.546 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.78 83.71 6.47 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 107.11 -1.441 . . . . 62.14 107.11 171.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.54 -39.66 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 114.94 -1.027 . . . . 64.23 112.123 -170.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.48 -42.17 79.04 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 123.134 0.271 . . . . 53.53 111.29 -173.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.63 -38.37 90.09 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.453 0.47 . . . . 44.54 112.351 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.29 94.71 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.315 0.646 . . . . 54.11 110.965 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -71.35 -29.08 64.55 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.952 0.901 . . . . 74.33 111.495 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -75.3 -33.43 61.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.44 0.696 . . . . 73.03 110.065 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.86 74.46 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.638 -0.71 . . . . 74.31 110.088 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.46 -30.11 65.63 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 124.085 0.866 . . . . 52.11 112.055 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -70.69 -44.22 67.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.362 0.665 . . . . 75.42 110.391 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -64.92 -29.82 70.78 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 115.153 -0.93 . . . . 73.21 110.877 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.642 0.777 . . . . 63.24 110.761 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.6 m -56.89 -43.87 81.73 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.694 0.621 . . . . 73.52 110.96 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.78 -40.04 78.9 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.371 1.468 . . . . 73.22 111.543 175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.19 -43.5 61.3 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.531 0.733 . . . . 63.3 111.58 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.18 -26.13 64.54 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.544 0.738 . . . . 63.11 112.898 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -60.56 -42.79 97.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.819 0.818 . . . . 62.51 110.351 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HE2' ' H ' ' A' ' 87' ' ' LYS . 84.8 mttt -79.29 -23.81 43.31 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.272 -1.331 . . . . 65.22 111.37 -175.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 48' ' ' ILE . 43.1 t -72.02 -24.83 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 123.526 0.73 . . . . 54.51 110.223 175.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -72.59 -5.77 39.48 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.77 -0.65 . . . . 64.02 111.214 171.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.71 48.5 61.41 Favored Glycine 0 C--N 1.357 1.725 0 N-CA-C 111.454 -0.658 . . . . 73.32 111.454 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.4 p -166.22 132.42 2.49 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 123.412 0.685 . . . . 63.03 109.909 -169.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.18 51.63 48.32 Favored Glycine 0 C--N 1.345 1.076 0 O-C-N 123.716 0.635 . . . . 52.0 113.721 173.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.509 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 8.9 p-10 -71.58 140.99 50.03 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.005 -0.739 . . . . 61.11 109.005 173.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.511 ' H ' ' HE2' ' A' ' 80' ' ' LYS . 10.6 ptmm? -153.75 112.41 3.66 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.615 0.766 . . . . 74.21 109.564 -170.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -149.59 101.83 0.23 Allowed Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.392 -0.822 . . . . 74.23 111.157 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -62.28 120.13 10.37 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.536 0.734 . . . . 71.14 110.411 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.2 pt -80.2 4.66 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.524 0.729 . . . . 73.32 112.787 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -63.96 131.22 46.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.811 0.845 . . . . 62.11 111.636 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -99.29 136.37 39.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.578 0.751 . . . . 62.15 109.788 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -74.12 118.87 17.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.792 0.437 . . . . 71.11 110.507 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -72.53 96.42 1.95 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.761 -0.829 . . . . 73.41 108.761 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.86 93.81 0.33 Allowed Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.062 -0.517 . . . . 74.34 112.3 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.41 100.18 0.47 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.66 0.784 . . . . 70.13 110.294 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -94.87 139.04 31.86 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.589 0.755 . . . . 51.34 109.494 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 60.2 mt -94.02 108.2 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-O 120.933 0.397 . . . . 73.32 109.975 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.1 tp -125.65 102.38 7.32 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 106.892 -1.521 . . . . 73.43 106.892 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 CA--C 1.562 1.424 0 C-N-CA 124.731 1.212 . . . . 55.41 111.0 -177.231 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 CA-C-O 119.937 -0.368 . . . . 55.04 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.65 28.94 66.35 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 114.179 0.432 . . . . 35.24 114.179 173.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 4' ' ' PRO . 77.5 p -64.69 163.19 29.65 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 124.075 0.95 . . . . 73.03 111.514 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 3' ' ' SER . 13.9 Cg_endo -54.84 -16.55 11.82 Favored 'Trans proline' 0 C--N 1.393 2.898 0 C-N-CA 123.099 2.533 . . . . 75.23 114.986 -175.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -69.23 -36.37 77.12 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.676 0.79 . . . . 74.12 111.377 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -74.27 -29.49 61.69 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.295 0.638 . . . . 72.25 110.598 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -72.0 -29.65 64.43 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.771 0.828 . . . . 74.23 110.447 175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.768 HG23 HG23 ' A' ' 34' ' ' ILE . 47.1 mt -67.54 -43.12 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.541 1.137 . . . . 74.33 109.92 173.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.83 -36.62 79.55 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.905 0.753 . . . . 63.33 111.233 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -62.29 -45.9 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.031 0.932 . . . . 75.33 110.588 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -67.5 -27.9 67.38 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.372 0.669 . . . . 73.14 111.776 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -71.56 -33.1 68.81 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.36 0.664 . . . . 73.24 111.099 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.17 -45.9 68.86 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.514 -0.55 . . . . 72.03 109.514 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.0 -29.39 70.79 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.419 0.687 . . . . 62.14 111.289 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -69.28 -44.36 72.02 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 115.934 -0.575 . . . . 74.35 110.306 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 30.0 mmmt -58.46 -40.68 83.31 Favored 'General case' 0 C--O 1.215 -0.75 0 O-C-N 123.258 0.349 . . . . 71.5 110.873 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -60.49 -46.98 88.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.136 0.574 . . . . 73.24 110.143 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.85 77.35 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.743 -1.117 . . . . 71.02 111.886 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.53 -37.26 63.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.045 1.338 . . . . 44.33 111.407 -174.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 12.6 mm-40 -71.3 -24.74 62.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.594 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt -91.24 -8.24 48.98 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.552 0.741 . . . . 62.3 110.663 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 t30 59.8 32.28 21.24 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 125.442 1.497 . . . . 72.14 111.053 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -92.14 89.13 6.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.201 -0.909 . . . . 60.34 109.012 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.89 -24.29 41.24 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 116.553 1.381 . . . . 51.14 116.553 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -65.59 -52.96 48.23 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 117.839 0.819 . . . . 72.23 109.654 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.72 -41.21 94.86 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.907 0.883 . . . . 73.34 111.555 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.511 ' HB2' HG11 ' A' ' 57' ' ' VAL . 80.7 mtp -67.19 -50.47 60.86 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.016 0.822 . . . . 74.03 110.697 -175.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.49 95.87 Favored Glycine 0 C--N 1.345 1.068 0 O-C-N 124.228 0.955 . . . . 74.33 112.441 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -61.45 -39.84 92.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.35 0.66 . . . . 54.32 111.383 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.44 -52.62 60.69 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.712 0.633 . . . . 74.12 110.52 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 53' ' ' ARG . 32.5 mt -62.06 -37.75 86.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.861 0.864 . . . . 73.32 111.45 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.95 -44.18 90.25 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.617 0.767 . . . . 73.45 110.735 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 62.2 t30 -66.98 -42.31 85.33 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.379 1.071 . . . . 75.04 110.265 -177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.768 HG23 HG23 ' A' ' 8' ' ' ILE . 94.7 mt -57.82 -46.35 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.45 1.1 . . . . 55.14 110.179 174.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.42 -40.97 99.39 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-N 115.103 -0.953 . . . . 61.31 112.288 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.4 mt -62.12 -41.89 98.69 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.162 0.585 . . . . 73.22 110.508 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 41.1 mm-40 -63.63 -44.78 92.89 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.202 0.601 . . . . 72.55 111.191 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' ' 8' ' ' ILE . 71.1 mmtt -58.26 -41.35 84.06 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.866 0.866 . . . . 74.23 110.875 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.38 -29.19 66.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.092 0.957 . . . . 72.02 111.217 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 92.0 mttt -76.07 -35.74 59.26 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.589 0.756 . . . . 63.54 111.496 177.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ptm -96.24 12.31 31.42 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.441 0.696 . . . . 54.25 112.367 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.88 -3.06 81.61 Favored Glycine 0 N--CA 1.474 1.225 0 N-CA-C 114.48 0.552 . . . . 63.31 114.48 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.27 55.62 3.12 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 122.302 1.049 . . . . 61.23 109.654 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.41 -21.09 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 CA-C-N 113.83 -1.532 . . . . 64.21 111.658 -169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.86 -43.71 98.06 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.979 0.912 . . . . 74.13 110.291 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.97 -30.06 58.47 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.891 0.476 . . . . 65.32 110.468 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.3 75.18 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.95 0.781 . . . . 64.54 110.62 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.6 mt -54.05 -54.24 22.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.549 1.156 . . . . 71.22 110.566 175.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -55.18 -43.49 74.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 124.176 0.922 . . . . 72.54 111.027 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -74.12 -30.58 62.37 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.735 0.814 . . . . 75.3 113.029 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.75 -28.14 60.64 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.205 0.457 . . . . 75.41 110.131 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 93.9 mt -70.78 -42.6 70.15 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.745 -0.835 . . . . 71.12 108.745 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.619 ' HB3' HD13 ' A' ' 31' ' ' LEU . 95.3 mtt180 -65.1 -44.59 88.31 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.738 -1.119 . . . . 74.52 110.502 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.98 -50.63 71.34 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.329 0.651 . . . . 74.12 110.783 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.07 -34.72 79.09 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 124.47 1.106 . . . . 51.32 110.253 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -58.85 -44.29 90.95 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 72.32 110.837 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 27' ' ' MET . 57.3 t -71.84 -36.93 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 115.357 -0.838 . . . . 75.12 110.498 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.8 -32.45 73.02 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.177 0.591 . . . . 72.44 111.521 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -75.42 -29.78 59.86 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.03 0.532 . . . . 75.32 110.066 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.56 0.744 . . . . 75.4 110.305 173.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.3 -15.36 55.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.365 0.666 . . . . 74.44 111.087 171.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 61.93 20.26 11.38 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.126 1.37 . . . . 72.14 111.699 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.94 97.79 10.43 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 123.872 0.869 . . . . 74.51 108.706 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 11.5 t -67.63 -31.74 71.96 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.634 -0.712 . . . . 75.31 111.527 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -58.03 -53.41 58.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.391 1.076 . . . . 62.4 111.312 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.29 -37.24 86.17 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 115.611 -0.722 . . . . 75.44 111.931 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.11 72.1 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.019 0.528 . . . . 72.33 111.869 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 64' ' ' THR . 94.0 mtt180 -70.38 -31.63 68.95 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.368 0.667 . . . . 62.43 110.646 175.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -67.47 -47.06 71.21 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.118 0.567 . . . . 61.32 109.715 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.97 -34.34 77.88 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.483 -0.781 . . . . 64.31 111.238 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.83 -35.38 62.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.497 0.719 . . . . 64.51 111.2 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.41 -48.25 80.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.397 0.679 . . . . 50.5 109.727 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -69.56 -29.23 66.75 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.728 -1.124 . . . . 73.44 111.603 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.96 -42.28 99.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.264 0.626 . . . . 72.31 110.913 169.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.0 t -63.72 -39.91 95.46 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.157 0.583 . . . . 73.14 110.242 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.19 -34.81 78.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.335 1.054 . . . . 73.21 110.896 173.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.72 -47.03 56.66 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.906 0.882 . . . . 34.41 112.19 -176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.89 -34.13 75.47 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.944 0.498 . . . . 75.13 111.39 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.64 -36.68 72.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.445 0.698 . . . . 62.24 112.209 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -83.91 -29.92 26.75 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.587 0.755 . . . . 74.34 111.477 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.3 t -87.46 -29.64 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 123.841 0.856 . . . . 35.03 112.594 -172.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -73.68 -157.01 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.107 0.563 . . . . 65.11 111.075 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.64 74.86 0.57 Allowed Glycine 0 C--N 1.356 1.654 0 C-N-CA 122.858 0.266 . . . . 63.52 113.272 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 p -107.88 127.26 53.58 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.733 1.213 . . . . 72.22 108.911 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.55 75.67 2.2 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 123.305 0.378 . . . . 74.5 112.565 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -83.79 100.49 10.96 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.081 -0.711 . . . . 52.31 109.081 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -69.87 96.27 0.99 Allowed 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.319 -0.623 . . . . 62.42 109.319 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.91 175.43 47.65 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 114.617 -1.174 . . . . 75.43 110.269 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -93.44 78.19 4.41 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.281 0.562 . . . . 72.22 110.34 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.13 111.15 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.779 -1.193 . . . . 71.41 107.779 171.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -74.81 100.42 4.04 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 107.962 -1.125 . . . . 70.15 107.962 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.73 24.09 1.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.605 0.762 . . . . 62.12 112.769 -167.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -74.79 80.55 2.09 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.784 -0.821 . . . . 72.43 108.784 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -75.88 139.43 41.66 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.151 -0.931 . . . . 71.34 109.135 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.76 104.23 0.83 Allowed Glycine 0 C--N 1.348 1.215 0 N-CA-C 111.023 -0.831 . . . . 45.14 111.023 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.89 82.8 0.07 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.628 1.171 . . . . 64.52 111.3 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.5 m 59.91 87.66 0.08 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.727 1.211 . . . . 63.43 111.485 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.443 ' H ' HD12 ' A' ' 98' ' ' ILE . 4.2 mp -75.1 84.82 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.647 -0.871 . . . . 74.31 108.647 178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.4 mt -87.25 92.35 9.03 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.41 -0.813 . . . . 53.1 109.856 -176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 C--O 1.246 0.92 0 N-CA-C 109.074 -0.713 . . . . 73.43 109.074 179.575 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 CA-C-O 120.984 0.213 . . . . 54.12 112.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.33 -46.16 0.02 OUTLIER Glycine 0 C--N 1.335 0.522 0 N-CA-C 110.924 -0.87 . . . . 63.24 110.924 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.9 m -61.86 137.92 95.41 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.624 0.77 . . . . 54.41 110.264 177.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.38 -30.16 26.03 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 123.591 2.861 . . . . 74.23 115.1 -176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.1 p-10 -72.43 -32.36 66.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 122.975 0.51 . . . . 71.21 111.683 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.87 -37.33 78.99 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.382 0.673 . . . . 74.34 109.936 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -66.44 -42.2 88.03 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.007 -0.997 . . . . 72.15 110.18 176.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.602 HD13 ' HE2' ' A' ' 38' ' ' LYS . 72.3 mt -54.73 -49.13 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.632 1.173 . . . . 72.31 110.483 173.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.11 73.64 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.883 0.739 . . . . 71.44 111.572 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -69.18 -47.18 65.6 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.129 0.972 . . . . 72.23 110.783 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.85 -24.98 64.42 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.753 0.821 . . . . 72.42 111.825 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 4.5 tm-20 -74.19 -37.04 64.05 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.281 1.032 . . . . 72.23 110.378 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -70.6 -39.24 73.92 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.861 -0.422 . . . . 72.42 109.861 173.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.36 70.58 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.531 -0.759 . . . . 74.52 111.249 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 46.6 t80 -66.87 -45.68 77.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.4 1.08 . . . . 65.3 111.111 174.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 97.5 mttt -65.59 -39.67 91.85 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.403 0.681 . . . . 71.01 111.074 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -66.76 -41.68 87.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.113 0.565 . . . . 55.45 110.407 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.77 76.77 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.773 1.229 . . . . 71.0 111.618 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -70.92 -34.43 71.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.774 1.23 . . . . 44.43 110.003 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 54.8 mt-10 -66.94 -38.17 85.66 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.723 0.809 . . . . 75.22 110.822 174.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.5 mt -77.6 -12.66 59.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.2 -0.909 . . . . 73.11 111.78 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.2 t30 61.99 31.17 18.1 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.563 1.145 . . . . 64.43 110.803 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.454 ' HB2' HD12 ' A' ' 26' ' ' LEU . 46.7 mt-30 -105.08 98.76 8.42 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.217 -1.031 . . . . 72.02 108.217 178.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.74 -23.79 76.63 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.127 -0.942 . . . . 72.53 113.276 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.06 -40.13 80.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.097 0.559 . . . . 74.53 110.235 172.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HB2' ' A' ' 23' ' ' GLN . 71.0 mt -72.64 -46.65 52.97 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.999 0.92 . . . . 72.01 110.368 176.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.0 mtm -61.38 -39.16 89.67 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.491 0.716 . . . . 73.22 112.108 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.17 -45.82 68.84 Favored Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.049 -0.978 . . . . 54.01 111.734 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.63 -30.94 71.97 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.628 0.771 . . . . 74.04 110.811 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.51 -52.5 57.48 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.381 0.672 . . . . 72.31 110.779 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.48 -30.41 68.29 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.043 0.937 . . . . 74.13 111.708 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.73 -47.66 80.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.502 -0.772 . . . . 63.31 109.97 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -63.28 -40.96 98.83 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.62 0.768 . . . . 73.02 111.166 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 HG23 ' A' ' 8' ' ' ILE . 81.6 mt -60.15 -43.65 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.877 0.871 . . . . 72.11 110.363 175.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.29 -36.7 93.08 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.359 -0.837 . . . . 71.55 112.817 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 95.7 mt -63.92 -39.03 93.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.344 0.658 . . . . 64.33 110.438 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.813 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 29.6 mm-40 -66.01 -47.08 75.66 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.978 -0.555 . . . . 74.24 110.717 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HE2' HD13 ' A' ' 8' ' ' ILE . 71.3 mmtt -56.82 -41.87 78.6 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.988 0.915 . . . . 64.14 112.25 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -61.27 -40.44 94.13 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.062 0.945 . . . . 73.4 110.606 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 36.9 mtmt -65.42 -38.6 90.41 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.541 0.736 . . . . 71.51 110.569 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 79.8 mtp -73.46 -9.12 58.36 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.895 0.878 . . . . 64.13 111.776 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.09 -0.16 83.66 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 123.442 0.464 . . . . 71.34 112.02 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -87.88 55.74 3.6 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.562 1.145 . . . . 62.02 109.514 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -74.96 -25.63 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 113.769 -1.56 . . . . 74.33 110.793 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -59.89 -45.04 93.77 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.184 0.594 . . . . 74.24 109.83 174.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.217 -0.901 . . . . 72.52 110.433 176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.45 -46.07 73.23 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.686 0.795 . . . . 52.41 111.384 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.558 HD11 HG21 ' A' ' 81' ' ' VAL . 95.3 mt -52.77 -52.25 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.059 1.344 . . . . 75.13 110.474 173.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.8 -34.19 76.76 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 124.053 0.845 . . . . 73.42 111.977 -176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -73.74 -36.44 65.15 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.98 0.512 . . . . 65.25 111.673 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.73 -27.98 62.37 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.48 0.488 . . . . 75.52 110.609 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.58 -45.01 63.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.228 0.611 . . . . 73.11 109.461 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 57' ' ' VAL . 95.5 mtt180 -59.74 -52.19 66.55 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.054 0.846 . . . . 64.32 109.348 173.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.19 -50.55 72.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 124.265 0.978 . . . . 73.41 111.064 -176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.72 -36.16 83.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.075 0.95 . . . . 72.23 111.205 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -64.86 -42.06 95.18 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.87 0.868 . . . . 75.4 110.866 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 53' ' ' ARG . 90.4 t -71.58 -39.24 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-N 115.164 -0.926 . . . . 53.52 110.223 -178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.21 -33.36 75.57 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.517 0.727 . . . . 74.24 111.44 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.28 -38.76 92.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.988 0.915 . . . . 75.35 109.871 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.27 72.37 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.212 -0.904 . . . . 62.42 111.179 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.43 -15.43 60.91 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.31 0.644 . . . . 71.21 111.566 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.1 m170 61.24 27.77 17.44 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.562 1.145 . . . . 54.11 110.97 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -82.63 90.52 6.83 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.951 -1.129 . . . . 61.01 107.951 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -63.01 -27.85 69.7 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.042 -0.981 . . . . 75.35 112.449 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 29.2 t70 -68.46 -44.59 74.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.191 0.596 . . . . 73.34 110.958 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.67 -35.21 51.82 Favored Glycine 0 C--N 1.334 0.445 0 O-C-N 124.043 0.839 . . . . 63.15 112.216 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.02 97.46 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.049 0.54 . . . . 64.11 110.701 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 37.8 ptt85 -72.71 -30.98 64.66 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.197 0.599 . . . . 73.15 111.023 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 12.8 ttt180 -68.81 -48.96 62.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.873 1.269 . . . . 74.33 110.02 -174.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.62 66.08 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 114.262 -1.336 . . . . 73.35 110.675 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.49 86.04 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.513 0.725 . . . . 73.12 111.883 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -73.18 -41.77 63.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.618 -0.719 . . . . 74.31 109.809 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -67.2 -28.65 68.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.527 0.731 . . . . 62.34 111.402 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.24 -51.12 70.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.512 0.725 . . . . 74.53 110.011 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -56.74 -45.01 82.22 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 124.134 0.896 . . . . 74.21 110.776 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -33.22 75.03 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.389 1.476 . . . . 52.11 111.496 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.11 -47.54 35.57 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.573 0.749 . . . . 62.44 110.462 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.496 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 40.0 m-85 -57.98 -24.83 59.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.443 0.697 . . . . 73.22 112.284 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -55.86 -43.12 76.8 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.102 0.961 . . . . 64.13 111.72 176.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -72.62 -32.58 66.02 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.867 0.867 . . . . 75.44 110.445 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG21 HD11 ' A' ' 48' ' ' ILE . 61.6 t -69.9 -27.98 34.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.962 0.905 . . . . 74.45 110.751 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 78' ' ' TYR . 11.9 mm-40 -61.86 -25.07 67.31 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 123.502 0.721 . . . . 72.51 111.575 173.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.77 0.62 36.62 Favored Glycine 0 C--N 1.342 0.862 0 CA-C-N 115.46 -0.791 . . . . 52.44 111.533 -171.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 t -91.06 84.21 5.7 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.709 -0.849 . . . . 70.32 108.709 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -98.66 -121.16 4.41 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 114.916 -1.038 . . . . 21.13 110.793 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 70.23 -22.27 0.17 Allowed 'General case' 0 N--CA 1.503 2.199 0 C-N-CA 125.334 1.454 . . . . 73.43 113.687 171.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -94.63 81.67 3.89 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.984 0.914 . . . . 70.51 108.92 -175.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.04 84.45 0.59 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 110.402 -1.079 . . . . 73.4 110.402 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.465 ' HE3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -93.15 90.59 6.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.24 0.616 . . . . 72.03 110.691 -174.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.465 HG12 ' HE3' ' A' ' 89' ' ' LYS . 44.5 mm 49.67 83.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.456 1.502 . . . . 75.13 112.966 169.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -65.28 -30.14 70.97 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.182 -0.917 . . . . 52.43 111.032 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.35 81.62 1.54 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.953 0.901 . . . . 74.34 110.34 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -76.52 75.86 3.24 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 122.196 0.998 . . . . 73.1 108.833 172.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -100.07 86.23 3.2 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.856 -1.52 . . . . 74.44 109.187 -176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -149.17 95.3 0.16 Allowed Glycine 0 C--N 1.337 0.633 0 CA-C-N 114.543 -1.208 . . . . 73.23 110.608 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -76.97 83.83 3.5 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.719 0.771 . . . . 74.41 110.114 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.9 p -117.03 -8.99 11.17 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.794 1.238 . . . . 71.03 109.01 169.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -78.84 125.17 38.11 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 124.28 1.032 . . . . 73.12 108.483 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -133.76 164.66 26.74 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.486 1.114 . . . . 74.52 108.401 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.168 0 N-CA-C 108.983 -0.747 . . . . 74.13 108.983 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.02 0 N-CA-C 113.381 0.112 . . . . 72.14 113.381 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.63 -141.6 3.7 Favored Glycine 0 C--O 1.241 0.576 0 N-CA-C 111.031 -0.828 . . . . 74.04 111.031 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.57 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 18.3 m -58.82 137.34 87.06 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 123.728 0.811 . . . . 74.44 110.744 178.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.66 -28.2 85.49 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.563 2.175 . . . . 74.51 112.019 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.71 -37.04 77.77 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.636 1.175 . . . . 74.33 111.888 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.57 ' HG2' ' HB2' ' A' ' 3' ' ' SER . 12.9 mm-40 -61.85 -42.68 99.34 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.107 0.563 . . . . 74.45 110.726 177.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -68.75 -40.65 79.7 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.406 0.682 . . . . 65.22 110.122 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.43 -36.31 58.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.305 1.042 . . . . 71.0 110.724 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.75 76.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.663 0.785 . . . . 71.01 111.86 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -70.6 -35.34 72.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.111 0.564 . . . . 74.32 110.322 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.67 -27.25 60.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.167 0.587 . . . . 43.34 111.31 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.94 -38.13 61.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.669 0.787 . . . . 73.21 109.76 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -36.27 74.43 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.285 -0.635 . . . . 65.02 109.285 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.91 78.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.106 0.562 . . . . 34.42 110.581 174.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.72 -47.24 78.99 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.644 0.778 . . . . 73.42 109.781 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 72.0 mmtt -70.52 -32.74 70.32 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.19 0.931 . . . . 74.31 111.768 -177.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -67.08 -46.28 74.75 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.542 0.526 . . . . 74.01 109.621 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.75 -27.21 67.42 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 115.185 -0.916 . . . . 65.02 111.809 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.08 -35.44 59.38 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.429 1.091 . . . . 61.23 111.106 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 32.2 mm-40 -71.81 -32.68 67.83 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.341 -0.39 . . . . 74.34 110.578 175.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.15 -16.02 51.29 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 123.667 0.787 . . . . 64.53 110.66 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.37 27.57 15.56 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.859 1.664 . . . . 75.05 111.904 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -73.44 95.68 2.26 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 108.555 -0.905 . . . . 50.21 108.555 173.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -53.48 40.22 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 124.416 1.073 . . . . 43.22 113.499 -172.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HG3' ' HE1' ' A' ' 58' ' ' PHE . 32.6 tt0 -52.79 -46.7 67.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.054 0.942 . . . . 70.52 111.582 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -40.11 94.68 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.017 0.823 . . . . 63.25 110.003 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 56.1 mtm -61.57 -40.95 96.6 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.734 -0.666 . . . . 75.33 111.247 175.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.91 97.15 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.531 0.519 . . . . 74.31 111.838 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 87.0 mtt-85 -64.7 -38.47 91.11 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.27 0.628 . . . . 74.51 110.515 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.02 83.69 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 124.336 1.022 . . . . 73.42 110.897 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.94 -38.9 92.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.949 0.9 . . . . 63.33 111.105 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.91 -43.57 98.57 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.103 0.961 . . . . 72.54 110.323 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -65.24 -42.61 93.16 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.734 0.813 . . . . 73.35 111.127 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.88 -44.55 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.325 0.65 . . . . 75.34 109.857 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.13 98.29 Favored Glycine 0 C--N 1.348 1.227 0 O-C-N 124.38 1.05 . . . . 51.21 113.18 -177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.44 -40.9 88.28 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.126 0.57 . . . . 72.42 110.666 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 19.1 mt-10 -80.82 -27.05 36.68 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.51 0.724 . . . . 72.12 112.63 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.59 -40.35 96.73 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.118 -0.697 . . . . 73.41 109.118 170.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.417 ' HA ' HG22 ' A' ' 44' ' ' VAL . 47.2 t-20 -62.07 -48.89 78.17 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 114.566 -1.197 . . . . 75.01 111.159 -177.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 15.1 ptmt -68.83 -20.59 64.31 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.486 0.55 . . . . 64.23 112.486 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 72.6 mtm -80.59 -18.09 49.35 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.466 0.306 . . . . 72.35 111.732 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.97 1.91 67.02 Favored Glycine 0 N--CA 1.47 0.915 0 N-CA-C 111.967 -0.453 . . . . 71.51 111.967 -172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.56 54.15 2.43 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.176 -1.046 . . . . 71.14 108.176 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 39' ' ' ASN . 3.9 t -76.85 -22.37 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.37 -1.286 . . . . 60.41 110.878 -170.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -57.88 -45.61 86.14 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.541 0.336 . . . . 61.43 110.18 172.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.72 -45.38 93.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.684 -0.689 . . . . 64.3 110.19 173.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.55 70.74 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 124.01 0.924 . . . . 43.01 111.796 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.8 mt -56.96 -52.35 56.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.541 0 O-C-N 124.483 1.114 . . . . 70.24 110.026 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.6 -31.91 73.34 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.919 0.762 . . . . 75.02 111.707 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -72.68 -35.93 67.78 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.658 0.383 . . . . 74.14 111.101 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.57 -29.25 63.37 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 123.58 0.55 . . . . 73.43 109.912 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.6 mt -73.07 -44.44 60.59 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.324 0.65 . . . . 61.43 110.365 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 57' ' ' VAL . 26.7 mtp180 -66.39 -44.58 82.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.524 0.73 . . . . 75.12 109.4 178.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.58 -51.22 70.83 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 123.999 0.812 . . . . 75.43 110.925 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -57.62 -45.61 85.15 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 124.432 1.082 . . . . 63.52 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -59.85 -38.22 81.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.4 1.062 . . . . 74.11 110.991 -177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.4 t -68.98 -43.74 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.775 -0.648 . . . . 74.02 109.83 177.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.414 ' HE1' ' HG3' ' A' ' 25' ' ' GLU . 50.9 m-85 -64.4 -26.95 68.68 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 122.905 0.482 . . . . 75.22 111.818 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -69.47 -35.22 75.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.423 0.689 . . . . 64.25 109.726 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.02 -36.42 66.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.961 0.904 . . . . 51.22 110.989 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 25.6 mm-40 -76.48 -15.85 59.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.971 0.908 . . . . 72.33 111.185 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.7 m80 66.01 21.45 11.28 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 124.652 1.181 . . . . 54.3 111.663 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.7 88.01 7.06 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.734 -0.839 . . . . 65.41 108.734 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -59.92 -32.22 70.56 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.926 0.89 . . . . 54.23 111.582 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.04 -51.46 69.53 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.071 0.948 . . . . 72.23 110.42 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.49 -37.3 78.45 Favored Glycine 0 C--N 1.354 1.583 0 O-C-N 123.865 0.728 . . . . 63.24 113.218 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.4 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.997 0.519 . . . . 71.24 110.692 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.07 -29.06 67.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.045 -0.979 . . . . 71.02 111.396 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.4 ttm-85 -65.31 -44.76 86.84 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.542 0.737 . . . . 74.14 110.737 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 -38.65 78.52 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.718 -0.674 . . . . 55.41 110.691 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -68.73 -26.85 65.46 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.698 0.799 . . . . 72.21 112.369 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -68.88 -43.21 75.77 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.727 0.811 . . . . 65.44 109.741 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -69.2 -30.93 69.22 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 114.876 -1.056 . . . . 62.44 110.955 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 71' ' ' ALA . 28.1 mt -62.1 -45.74 92.16 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.774 0.83 . . . . 65.13 111.049 172.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 t -57.59 -37.42 73.17 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 124.132 0.895 . . . . 61.11 111.258 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -78.27 -37.63 44.58 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.042 0.937 . . . . 74.33 111.565 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.59 -40.18 93.83 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.51 0.724 . . . . 62.31 111.383 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -66.76 -24.91 66.27 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.442 0.697 . . . . 42.43 112.302 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -67.67 -42.36 82.28 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.471 0.308 . . . . 61.22 111.196 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' HB2' ' HA ' ' A' ' 86' ' ' ASP . 17.3 ptpt -83.09 -32.39 26.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.228 -0.442 . . . . 74.32 111.924 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.68 -63.02 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 122.974 0.51 . . . . 74.34 109.861 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.43 -21.46 35.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.502 -0.772 . . . . 73.01 111.879 -172.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -84.51 -18.7 61.57 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-O 119.878 -0.401 . . . . 73.4 112.359 171.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.0 m 61.92 46.99 6.27 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 124.269 1.028 . . . . 52.22 110.965 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -127.31 54.36 0.77 Allowed Glycine 0 C--N 1.346 1.117 0 N-CA-C 110.331 -1.108 . . . . 74.34 110.331 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.499 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 8.0 m-20 -76.4 91.12 3.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.835 0.854 . . . . 74.11 111.062 -171.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -101.42 127.5 48.05 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.182 -0.917 . . . . 72.11 108.597 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.91 35.32 2.73 Favored Glycine 0 C--N 1.352 1.431 0 O-C-N 123.391 0.432 . . . . 43.35 112.706 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -76.89 111.63 12.63 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.905 0.882 . . . . 71.23 108.868 177.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 pt -71.66 89.06 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 121.688 0.756 . . . . 54.3 109.478 172.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -68.47 110.19 4.05 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 107.848 -1.168 . . . . 65.24 107.848 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -59.69 131.54 51.23 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 124.719 1.262 . . . . 75.03 111.004 -175.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -87.19 122.03 30.44 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.263 0.625 . . . . 74.3 111.437 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -128.28 143.63 51.04 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.322 1.049 . . . . 63.15 109.173 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -126.08 -149.13 7.31 Favored Glycine 0 C--N 1.348 1.204 0 N-CA-C 111.562 -0.615 . . . . 72.21 111.562 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -84.84 75.57 10.34 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 122.267 1.032 . . . . 72.24 108.908 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 p -76.69 -17.28 59.21 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 114.974 -1.012 . . . . 70.44 111.846 -177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 50.7 pt -66.8 138.28 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.146 0.579 . . . . 64.23 110.463 174.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt -108.26 -75.61 0.63 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.563 -0.532 . . . . 71.12 109.563 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 N--CA 1.481 1.096 0 C-N-CA 124.003 0.921 . . . . 73.35 108.77 177.733 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.578 ' HA2' ' HA ' ' A' ' 7' ' ' ASN . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 112.254 -0.338 . . . . 42.44 112.254 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.97 -89.45 0.15 Allowed Glycine 0 C--N 1.347 1.18 0 N-CA-C 111.795 -0.522 . . . . 45.25 111.795 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -63.2 135.83 96.41 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-O 117.55 -1.214 . . . . 73.44 109.405 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo -47.45 -41.35 29.26 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 123.41 2.74 . . . . 72.33 114.662 -170.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.449 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 21.6 t70 -60.35 -47.8 84.47 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.711 0.805 . . . . 64.45 111.376 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -76.6 -31.34 57.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.775 -1.102 . . . . 41.31 110.291 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.578 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 61.8 t30 -68.62 -26.88 65.58 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.592 1.157 . . . . 63.23 111.132 -173.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 4' ' ' PRO . 96.7 mt -52.61 -41.59 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.527 1.131 . . . . 64.41 111.608 173.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.75 65.52 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.683 0.793 . . . . 74.23 112.456 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -65.3 -46.46 80.25 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 63.13 110.418 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.14 -24.87 62.35 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.605 0.762 . . . . 72.04 111.989 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -67.09 -39.72 86.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.473 0.709 . . . . 72.21 110.101 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -76.36 -32.8 58.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.493 -0.776 . . . . 73.33 110.457 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.46 78.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.112 0.565 . . . . 71.45 109.79 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -66.36 -45.53 79.82 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 115.14 -0.936 . . . . 65.21 109.945 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 19' ' ' GLU . 58.6 mttm -74.05 -24.17 59.49 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 123.739 0.649 . . . . 73.53 112.615 -176.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -74.44 -35.08 63.35 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.203 -1.036 . . . . 63.25 108.203 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -36.6 75.53 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.596 -0.729 . . . . 32.4 111.249 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 37.1 tt0 -77.01 -39.25 50.99 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.732 1.613 . . . . 73.24 111.652 -173.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HG3' ' HG ' ' A' ' 21' ' ' LEU . 9.3 pt-20 -62.55 -32.85 73.87 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.051 0.453 . . . . 72.12 110.206 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 59.6 mt -90.42 -17.81 26.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.844 0.858 . . . . 74.02 110.696 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.3 m120 60.02 27.92 17.39 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.648 1.179 . . . . 70.14 112.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.502 ' HG2' ' HB2' ' A' ' 21' ' ' LEU . 18.6 mm-40 -57.05 -72.66 0.08 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.742 0.817 . . . . 74.31 111.568 -172.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.08 -92.15 0.15 Allowed Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.393 -0.821 . . . . 63.01 111.499 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 6.8 pt-20 -56.03 -31.05 62.75 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.061 0.944 . . . . 64.24 112.895 -166.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -59.96 -46.42 89.47 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.896 0.878 . . . . 61.34 110.724 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.9 mtm -59.92 -43.98 94.58 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.73 0.412 . . . . 75.25 110.099 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.32 -37.89 93.79 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.671 0.607 . . . . 71.31 112.92 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 65.1 mtt-85 -68.79 -42.95 76.64 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.755 0.822 . . . . 75.22 110.003 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.49 -51.77 67.27 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 124.254 0.971 . . . . 64.22 110.211 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 43.8 mt -55.55 -48.42 74.77 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.574 1.171 . . . . 64.43 110.792 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HE1' ' HA ' ' A' ' 70' ' ' ALA . 72.8 t80 -59.12 -45.83 89.89 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.534 0.734 . . . . 73.12 111.016 -177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.1 m-20 -67.35 -40.62 85.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.565 0.746 . . . . 72.42 111.328 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.448 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 84.9 mt -61.92 -41.9 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.046 0.539 . . . . 60.2 109.77 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.44 -38.02 95.08 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-N 115.222 -0.899 . . . . 72.14 111.814 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 96.0 mt -61.74 -45.77 92.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.081 0.553 . . . . 74.52 109.688 174.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 13.3 mm-40 -59.12 -41.15 87.51 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 123.801 0.688 . . . . 74.34 110.874 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 75.8 mmtt -62.53 -48.67 78.49 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.87 -0.604 . . . . 63.34 110.128 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -61.14 -33.62 73.7 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.378 1.071 . . . . 64.35 111.175 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 87.8 mttt -67.39 -39.47 85.59 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.864 0.866 . . . . 43.41 110.659 175.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.449 ' SD ' ' HB2' ' A' ' 5' ' ' ASP . 78.0 mtm -79.53 -6.28 56.66 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.726 0.81 . . . . 73.1 112.271 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.2 12.4 82.35 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 112.774 -0.13 . . . . 72.33 112.774 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.82 55.28 2.9 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.771 1.229 . . . . 74.44 109.287 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 48' ' ' ILE . 32.6 t -68.81 -25.64 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 123.578 0.751 . . . . 52.25 111.778 -169.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HE3' HG13 ' A' ' 81' ' ' VAL . 48.6 mmtm -62.7 -47.23 84.51 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.235 0.614 . . . . 73.3 110.937 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.39 -39.91 89.34 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.155 -0.929 . . . . 63.14 109.575 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.26 -46.63 72.7 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 124.058 0.943 . . . . 64.42 111.488 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.708 HD11 HG21 ' A' ' 81' ' ' VAL . 81.5 mt -52.96 -53.2 22.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 124.481 1.113 . . . . 62.31 110.494 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.16 -39.23 66.35 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 124.378 1.049 . . . . 54.25 112.438 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 65.3 m-85 -73.42 -39.81 64.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.08 0.552 . . . . 71.54 111.934 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -70.16 -27.88 64.89 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.777 0.431 . . . . 73.13 110.897 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 85.5 mt -68.36 -48.84 63.72 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.114 -0.698 . . . . 64.15 109.114 178.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.6 mtt85 -69.3 -34.14 74.24 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.112 -1.404 . . . . 75.22 110.857 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.35 -50.48 67.6 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.136 0.574 . . . . 73.31 110.155 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.32 -41.47 93.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 114.94 -1.027 . . . . 74.32 110.668 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -44.68 94.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.723 1.209 . . . . 43.41 111.503 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 53' ' ' ARG . 66.4 t -65.84 -51.95 55.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.553 -0.748 . . . . 73.41 110.398 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -58.98 -36.01 74.16 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.623 0.577 . . . . 70.01 111.368 177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.27 -39.9 89.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.406 0.683 . . . . 54.01 110.67 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.64 75.06 Favored 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.768 0.667 . . . . 72.24 111.32 176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -87.29 -9.33 55.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.383 1.073 . . . . 74.24 111.722 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 66.78 29.05 8.7 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.838 1.255 . . . . 62.31 111.079 -177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.69 98.48 6.24 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 107.445 -1.317 . . . . 73.13 107.445 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.3 t -64.1 -40.81 97.02 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.986 -1.006 . . . . 70.33 111.865 -173.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.86 -55.99 26.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.746 0.418 . . . . 72.11 110.54 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.22 -34.46 75.39 Favored Glycine 0 C--N 1.344 1.005 0 O-C-N 124.797 1.31 . . . . 53.12 114.632 -170.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.42 -44.81 70.62 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.902 -0.407 . . . . 54.24 109.902 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -69.56 -28.88 66.36 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.795 0.838 . . . . 74.53 111.082 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -69.41 -42.27 75.26 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.175 1.39 . . . . 61.23 110.519 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HA ' ' HE1' ' A' ' 32' ' ' TYR . . . -69.71 -38.61 77.0 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 114.881 -1.054 . . . . 65.4 110.011 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.23 71.18 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 124.061 0.851 . . . . 25.33 111.676 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -71.98 -45.97 59.04 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.319 1.048 . . . . 73.53 110.609 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 t -69.5 -30.04 67.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.37 -0.832 . . . . 43.15 110.121 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.64 -37.01 83.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.791 0.836 . . . . 75.21 111.298 170.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -64.2 -34.21 77.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.55 0.34 . . . . 74.13 110.952 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.447 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 58.1 mm-40 -70.68 -47.79 58.1 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 122.942 0.497 . . . . 63.14 110.657 170.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.0 73.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.111 0.964 . . . . 72.55 112.147 -174.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -62.61 -33.89 75.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.183 0.993 . . . . 74.14 112.446 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.59 -47.0 77.21 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.267 -0.642 . . . . 75.12 109.267 175.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 76' ' ' GLU . 49.4 mttm -68.85 -20.42 64.29 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.374 0.67 . . . . 62.24 111.432 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 48' ' ' ILE . 39.0 t -82.16 -49.33 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.576 1.15 . . . . 72.25 111.243 177.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.55 -55.29 4.07 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.143 0.577 . . . . 63.12 112.237 -173.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.19 70.4 0.24 Allowed Glycine 0 C--N 1.344 1.011 0 C-N-CA 121.805 -0.236 . . . . 64.14 112.592 -176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.8 t -173.58 51.32 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.462 1.105 . . . . 74.3 108.503 173.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.05 77.89 1.97 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 111.375 -0.69 . . . . 72.4 111.375 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.06 124.25 23.25 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.671 0.789 . . . . 71.34 111.039 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -76.58 152.08 36.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.946 0.898 . . . . 70.42 110.477 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.25 -40.55 2.57 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 116.13 -0.486 . . . . 52.53 112.498 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 64.36 -178.06 0.17 Allowed 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.488 1.115 . . . . 72.44 111.576 -177.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 pt -126.72 118.85 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.113 0.565 . . . . 73.55 110.121 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -77.63 -27.95 51.23 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.711 0.804 . . . . 73.44 109.063 171.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 68.65 179.21 0.24 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 125.68 1.592 . . . . 63.41 111.383 -175.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt 66.77 17.95 10.63 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 124.285 1.034 . . . . 63.01 111.296 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -72.41 101.8 3.01 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.029 0.932 . . . . 75.34 109.695 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.12 138.54 8.05 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 111.579 -0.608 . . . . 63.01 111.579 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.17 117.2 16.73 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.793 0.837 . . . . 75.23 111.028 -175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m 69.27 80.69 0.18 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.599 1.16 . . . . 61.4 111.822 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.9 pt -93.48 155.42 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 115.564 -0.744 . . . . 73.24 109.981 174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.5 mp 62.94 85.58 0.13 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.65 1.18 . . . . 73.44 111.022 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.381 0 C-N-CA 123.929 0.892 . . . . 74.52 110.8 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.085 -0.406 . . . . 73.04 112.085 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.45 13.45 81.71 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-O 119.981 -0.344 . . . . 32.32 112.617 -174.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -64.88 151.0 94.03 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.535 1.134 . . . . 74.01 111.742 -173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -50.14 -40.39 51.09 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 123.048 2.499 . . . . 43.31 114.003 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.408 ' HA ' HD12 ' A' ' 8' ' ' ILE . 32.6 t70 -65.88 -38.04 87.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.63 0.772 . . . . 73.44 111.566 176.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.13 -37.46 87.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.893 0.477 . . . . 72.44 110.377 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -69.88 -33.24 71.96 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 115.705 -0.679 . . . . 71.42 111.155 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 34' ' ' ILE . 58.1 mt -52.72 -50.93 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.212 0.605 . . . . 73.05 110.143 172.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.39 79.69 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 124.314 1.009 . . . . 74.34 111.329 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 84.3 tttt -66.2 -38.63 88.45 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.636 0.774 . . . . 74.14 111.449 177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -75.75 -24.92 56.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.338 0.655 . . . . 65.13 110.602 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 50.0 mt-10 -70.7 -31.64 68.57 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.606 0.763 . . . . 74.33 110.772 172.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 26.8 mtpp -63.68 -42.39 98.05 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.411 0.684 . . . . 65.21 109.445 172.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.24 -29.55 66.38 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.251 -0.886 . . . . 55.51 111.26 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -68.86 -45.72 70.34 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.164 0.986 . . . . 71.35 111.232 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 34.4 mmtp -76.41 -31.99 58.26 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.468 -0.787 . . . . 71.3 111.019 -176.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.51 -43.27 85.75 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.774 -0.454 . . . . 74.44 109.774 172.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.36 -38.6 77.56 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.284 1.033 . . . . 54.1 111.222 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -67.03 -39.23 86.95 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.316 1.046 . . . . 62.11 110.731 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 28.6 mm-40 -70.0 -31.56 69.29 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.001 0.52 . . . . 61.34 111.17 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.78 -13.77 59.79 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.304 0.642 . . . . 74.02 110.603 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 m120 62.81 30.62 16.67 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.651 1.18 . . . . 73.53 111.086 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.429 ' HB2' HD12 ' A' ' 26' ' ' LEU . 73.7 mt-30 -110.4 105.73 14.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.303 -0.999 . . . . 74.14 108.303 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.65 -37.88 92.81 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.321 -0.854 . . . . 71.03 113.27 -174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.53 -36.74 69.56 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.518 0.727 . . . . 64.23 111.401 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 23' ' ' GLN . 78.2 mt -66.48 -43.25 85.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.998 0.919 . . . . 73.03 110.655 174.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.0 mtm -64.49 -35.22 80.22 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.622 0.769 . . . . 71.11 111.203 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.52 -45.97 80.86 Favored Glycine 0 C--N 1.347 1.152 0 N-CA-C 110.934 -0.866 . . . . 53.15 110.934 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.32 -35.25 76.86 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.537 0.735 . . . . 72.13 110.715 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.55 57.31 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.656 0.782 . . . . 43.14 111.031 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 96.3 mt -63.3 -36.36 83.42 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.627 0.771 . . . . 62.14 110.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 66.5 t80 -58.83 -49.76 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.466 1.106 . . . . 73.44 110.829 176.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 85.7 m-20 -66.19 -37.63 86.06 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.681 0.792 . . . . 65.43 111.281 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.498 HG23 HG23 ' A' ' 8' ' ' ILE . 95.1 mt -59.72 -43.16 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.776 0.83 . . . . 51.53 110.013 173.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.43 89.57 Favored Glycine 0 C--N 1.347 1.157 0 CA-C-N 114.967 -1.015 . . . . 74.33 112.514 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.79 -38.77 92.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.106 0.562 . . . . 65.52 110.547 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 27.2 mm-40 -70.76 -40.79 72.47 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 123.883 0.74 . . . . 72.42 110.677 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 8' ' ' ILE . 73.8 mmtt -59.77 -45.12 93.25 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.144 0.577 . . . . 72.54 110.142 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.91 -44.04 97.16 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.533 1.133 . . . . 72.25 110.836 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -74.66 -21.11 59.59 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.16 0.584 . . . . 71.51 111.605 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.6 mtp -84.32 -0.86 54.12 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.57 0.748 . . . . 73.23 111.706 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.54 1.98 90.56 Favored Glycine 0 C--N 1.35 1.326 0 O-C-N 123.276 0.36 . . . . 62.13 112.993 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -93.28 56.0 2.39 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.844 1.258 . . . . 64.14 108.702 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.2 t -65.53 -25.44 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 CA-C-N 113.217 -1.811 . . . . 73.22 111.311 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' HG13 ' A' ' 81' ' ' VAL . 34.6 mmtp -63.48 -51.9 63.66 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.205 0.602 . . . . 74.02 111.091 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.02 -32.71 74.36 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.043 0.839 . . . . 73.34 110.774 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.67 72.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.772 0.829 . . . . 60.31 110.903 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.35 -46.11 81.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 124.884 1.274 . . . . 62.53 110.702 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -53.89 -45.51 71.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.327 1.017 . . . . 61.01 110.928 178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 40.6 m-85 -73.62 -32.01 63.84 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.366 -0.834 . . . . 75.02 112.731 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -74.7 -28.67 60.91 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.301 0.375 . . . . 73.14 110.444 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.5 mt -75.41 -41.38 56.22 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.464 0.706 . . . . 63.51 109.618 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 57' ' ' VAL . 72.1 mtt85 -70.62 -35.92 73.19 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.125 -0.943 . . . . 71.11 110.562 175.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.65 68.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.255 0.622 . . . . 62.13 110.146 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.64 -34.96 79.43 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 124.578 1.174 . . . . 63.23 110.691 -178.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.95 -47.66 77.19 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.627 0.771 . . . . 55.33 110.923 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 53' ' ' ARG . 25.2 t -70.57 -34.42 57.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 CA-C-N 115.743 -0.662 . . . . 75.14 110.127 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.76 -37.82 87.39 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.123 0.569 . . . . 71.15 111.338 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.47 -33.16 72.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.408 0.683 . . . . 62.12 109.677 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.37 85.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.597 0.759 . . . . 71.14 110.637 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.85 -14.0 58.99 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.739 0.816 . . . . 72.14 111.831 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.8 m80 68.97 22.66 6.94 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.96 1.304 . . . . 73.13 110.463 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -88.42 101.5 13.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.538 1.135 . . . . 63.25 109.309 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.0 t -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.172 0.589 . . . . 75.25 111.777 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.81 -47.18 78.98 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.542 0.737 . . . . 71.31 110.734 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.78 -32.04 61.75 Favored Glycine 0 C--N 1.339 0.742 0 O-C-N 124.142 0.901 . . . . 51.01 112.734 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.4 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.738 0.415 . . . . 72.5 110.412 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.31 -35.11 66.02 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.227 1.011 . . . . 64.04 110.856 175.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.5 tpp180 -60.17 -46.23 90.39 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.952 0.901 . . . . 72.45 109.487 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -38.25 84.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 114.646 -1.161 . . . . 74.05 110.866 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -27.56 64.39 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.274 0.842 . . . . 71.23 113.274 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -75.61 -40.18 56.82 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.391 0.676 . . . . 75.5 109.585 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.6 m -70.55 -29.71 66.25 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.416 -0.811 . . . . 62.41 111.073 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -69.86 -42.91 72.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.892 0.877 . . . . 70.35 110.555 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 31.2 t -60.01 -41.79 92.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.909 0.755 . . . . 62.5 110.113 -177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 43.4 mt-10 -65.03 -45.46 85.34 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.657 0.598 . . . . 74.01 111.268 171.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.58 79.73 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.112 0.882 . . . . 61.33 111.339 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -66.53 -32.46 73.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.97 0.908 . . . . 72.31 111.652 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.766 ' HB3' ' HA3' ' A' ' 85' ' ' GLY . 77.1 mt-30 -62.61 -44.03 97.33 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.374 0.67 . . . . 74.32 110.912 175.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 76' ' ' GLU . 44.7 mttm -72.46 -36.54 68.51 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.803 0.841 . . . . 65.1 110.327 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 45' ' ' LYS . 5.1 t -63.63 -56.79 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.802 1.241 . . . . 73.11 111.342 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.83 -40.34 87.94 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.061 0.85 . . . . 75.21 110.554 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 139.59 -86.9 0.2 Allowed Glycine 0 C--N 1.348 1.197 0 O-C-N 123.262 0.351 . . . . 72.31 112.635 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.0 p -78.27 78.26 4.75 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.022 0.929 . . . . 72.21 111.426 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.766 ' HA3' ' HB3' ' A' ' 79' ' ' GLN . . . -107.76 178.4 21.57 Favored Glycine 0 C--N 1.335 0.492 0 CA-C-N 115.364 -0.835 . . . . 42.02 111.451 172.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.99 167.0 22.39 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.962 0.505 . . . . 75.34 110.375 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -86.73 55.09 3.41 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 123.133 0.573 . . . . 75.51 109.585 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.23 141.39 41.08 Favored Glycine 0 C--N 1.347 1.182 0 CA-C-N 115.046 -0.979 . . . . 73.23 112.141 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -164.28 70.54 0.2 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.63 1.172 . . . . 64.12 108.225 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.4 pt -58.34 -20.39 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 115.205 -0.907 . . . . 54.54 111.89 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -85.65 94.52 9.1 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.873 0.869 . . . . 75.12 110.393 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -95.28 103.12 14.97 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 107.186 -1.413 . . . . 75.33 107.186 167.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.0 101.35 0.84 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.748 0.419 . . . . 75.33 110.275 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -87.45 146.51 25.81 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.657 1.183 . . . . 70.24 108.797 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.03 -46.54 93.84 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 123.249 0.452 . . . . 73.3 113.778 -176.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 63.46 -84.87 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.014 1.325 . . . . 64.21 112.765 175.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.9 p -92.14 84.83 5.32 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-O 121.243 0.545 . . . . 32.44 110.084 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 40.2 pt -107.1 119.76 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 108.975 -0.75 . . . . 62.35 108.975 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.75 85.19 1.66 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.873 0.869 . . . . 63.11 109.731 -174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 CA--C 1.547 0.845 0 C-N-CA 124.653 1.181 . . . . 75.25 109.476 -179.36 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.256 -0.738 . . . . 61.11 111.256 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.98 105.79 1.69 Allowed Glycine 0 C--N 1.351 1.395 0 CA-C-O 119.97 -0.35 . . . . 72.21 112.382 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -67.99 164.85 37.54 Favored Pre-proline 0 CA--C 1.552 1.058 0 C-N-CA 123.785 0.834 . . . . 55.43 110.934 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HA ' HD22 ' A' ' 7' ' ' ASN . 98.4 Cg_exo -45.45 -35.89 12.68 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 123.366 2.711 . . . . 73.13 113.298 168.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.82 -47.17 86.31 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.212 1.005 . . . . 73.34 111.012 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.76 -27.29 61.93 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.888 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 4' ' ' PRO . 83.4 m-20 -66.65 -38.76 87.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.011 0.524 . . . . 72.32 109.822 177.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -54.87 -38.33 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 124.141 0.976 . . . . 73.33 110.666 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.19 82.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.356 0.662 . . . . 74.24 111.312 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.04 -47.45 82.96 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.472 0.653 . . . . 63.53 109.788 172.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -70.68 -21.3 62.6 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.783 -1.099 . . . . 55.32 111.404 -174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.72 -42.15 97.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.862 0.865 . . . . 65.34 110.913 171.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -37.73 88.1 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 109.231 -0.655 . . . . 44.43 109.231 173.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.46 91.16 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.656 0.598 . . . . 63.23 111.497 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -74.29 -49.95 20.93 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.603 0.761 . . . . 64.45 111.362 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.11 -32.83 63.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.543 0.737 . . . . 74.01 111.503 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 56.8 tttp -78.3 -28.45 47.46 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 110.199 -0.297 . . . . 41.31 110.199 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.17 94.97 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.351 0.596 . . . . 73.21 110.027 169.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.93 -43.28 75.45 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.982 1.313 . . . . 71.41 111.576 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 17' ' ' LYS . 14.5 pt-20 -67.15 -30.23 70.16 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 120.832 0.348 . . . . 64.32 110.606 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -83.76 -9.08 59.06 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.77 0.828 . . . . 74.11 111.531 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.59 21.25 9.49 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.337 1.455 . . . . 72.52 111.528 174.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.82 101.83 13.5 Favored 'General case' 0 C--O 1.251 1.17 0 N-CA-C 108.849 -0.797 . . . . 70.45 108.849 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.07 91.56 Favored Glycine 0 C--N 1.347 1.159 0 CA-C-N 114.856 -1.065 . . . . 74.03 113.083 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -54.16 -41.13 68.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.591 0.756 . . . . 52.35 111.935 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.81 -37.58 67.47 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.966 0.906 . . . . 74.34 110.854 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.47 -41.11 93.72 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.557 0.536 . . . . 55.13 110.764 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.89 96.74 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.96 0.787 . . . . 72.22 111.474 177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -56.45 -44.86 80.89 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.236 0.614 . . . . 64.0 110.408 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.94 73.09 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.235 0.959 . . . . 62.14 111.692 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.14 -46.34 87.67 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.136 0.974 . . . . 74.23 111.446 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -56.16 -47.13 78.82 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.271 0.982 . . . . 73.42 110.322 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.1 t30 -69.0 -37.46 78.72 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 114.602 -1.181 . . . . 73.13 110.898 -173.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.0 -37.34 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.978 0.911 . . . . 74.4 110.007 173.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.94 -37.29 94.68 Favored Glycine 0 C--N 1.343 0.944 0 O-C-N 123.891 0.744 . . . . 55.32 112.37 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.93 -37.61 87.7 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.984 0.514 . . . . 63.1 110.299 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 7.1 mm-40 -73.1 -36.25 66.74 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.763 -0.653 . . . . 63.24 110.908 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.86 -42.4 85.75 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.949 0.499 . . . . 72.02 110.028 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.89 -45.15 95.75 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.041 0.936 . . . . 63.41 110.131 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -76.33 -22.05 55.41 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.492 0.717 . . . . 62.43 112.004 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.4 mtp -80.98 2.42 27.0 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 123.429 0.691 . . . . 74.52 111.639 173.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.64 -8.77 78.34 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 122.794 0.235 . . . . 73.21 112.802 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -85.19 58.26 4.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.593 1.157 . . . . 52.14 110.247 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 80' ' ' LYS . 46.8 t -71.05 -30.34 40.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.691 0.796 . . . . 70.21 111.186 -173.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HE2' HG22 ' A' ' 81' ' ' VAL . 0.4 OUTLIER -71.0 -40.58 71.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.112 0.565 . . . . 62.53 109.941 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.25 -43.0 99.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.598 0.759 . . . . 64.52 109.907 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.6 91.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.042 0.937 . . . . 72.22 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 57.1 mt -53.63 -50.94 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.301 1.04 . . . . 73.21 109.983 175.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.52 -35.05 75.04 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.624 0.769 . . . . 64.31 111.463 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -69.37 -40.64 77.32 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 122.957 0.503 . . . . 70.23 111.478 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -71.53 -29.99 65.39 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.381 0.426 . . . . 73.41 110.405 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 48' ' ' ILE . 81.9 mt -70.26 -46.36 64.54 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.832 0.853 . . . . 64.21 109.638 178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' VAL . 82.3 mtp180 -63.72 -48.59 76.44 Favored 'General case' 0 C--O 1.219 -0.549 0 O-C-N 124.082 0.864 . . . . 62.12 109.651 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.55 72.43 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.971 0.908 . . . . 72.13 110.821 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -65.92 -42.39 90.18 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.141 -0.936 . . . . 73.15 110.499 -177.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -61.81 -37.2 83.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.949 0.9 . . . . 42.4 110.906 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 53' ' ' ARG . 94.7 t -71.89 -40.18 68.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 115.291 -0.868 . . . . 65.11 110.051 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -64.16 -33.03 74.85 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.462 0.705 . . . . 74.15 110.888 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -66.73 -40.68 88.44 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.879 0.872 . . . . 73.14 109.323 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -27.36 64.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 115.363 -0.835 . . . . 74.55 111.364 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -80.31 -11.8 59.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.714 0.806 . . . . 54.1 111.048 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 64.09 24.98 13.65 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.036 0.934 . . . . 55.12 110.838 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.38 100.82 12.54 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 124.902 1.281 . . . . 35.4 108.587 175.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 t -73.37 -31.28 63.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.349 -0.842 . . . . 75.04 110.654 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.0 -50.66 72.88 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.244 1.018 . . . . 63.13 111.014 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.93 -36.15 61.21 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 115.374 -0.83 . . . . 62.21 112.568 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.1 -40.52 94.06 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.962 0.448 . . . . 72.24 111.198 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -74.03 -32.08 63.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.552 1.141 . . . . 74.2 111.448 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.5 ttp-105 -68.42 -38.34 81.14 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.103 0.561 . . . . 73.32 110.257 176.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.51 71.22 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.226 -0.897 . . . . 71.0 110.22 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.9 74.37 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.952 0.901 . . . . 73.31 111.505 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.39 -44.74 78.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.352 0.661 . . . . 75.24 110.019 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 t -68.26 -33.93 75.26 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.412 -0.813 . . . . 63.35 110.355 177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.4 -38.58 91.71 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.599 -0.728 . . . . 71.43 111.034 172.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.46 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 26.0 t -61.08 -37.27 82.09 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.132 0.573 . . . . 75.4 110.057 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.62 -40.29 61.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.67 0.788 . . . . 73.32 111.0 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.66 88.05 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.559 0.744 . . . . 63.1 111.531 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 21.9 m-85 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.889 0.476 . . . . 74.11 110.8 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 75' ' ' SER . 74.9 mt-30 -59.47 -36.38 75.89 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.34 0.59 . . . . 74.14 111.016 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HB2' HG11 ' A' ' 44' ' ' VAL . 93.4 mttt -82.67 -6.62 59.47 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.607 -1.179 . . . . 71.43 111.831 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG22 ' HE2' ' A' ' 45' ' ' LYS . 86.1 t -119.03 -78.09 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 123.831 0.853 . . . . 73.12 109.456 -177.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 43.8 mt-10 44.98 65.09 1.17 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.917 1.287 . . . . 70.45 112.385 -173.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -85.41 153.52 27.66 Favored Glycine 0 C--N 1.342 0.881 0 CA-C-N 115.032 -0.985 . . . . 24.24 110.748 173.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.6 m -82.05 57.34 3.48 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.557 0.743 . . . . 45.14 111.342 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.03 -21.73 79.03 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.549 -0.75 . . . . 63.32 112.339 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -66.49 -34.5 78.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.883 0.873 . . . . 74.24 110.821 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.52 -44.22 65.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.488 0.715 . . . . 72.44 110.416 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.35 -69.27 3.17 Favored Glycine 0 C--N 1.35 1.345 0 O-C-N 123.828 0.705 . . . . 75.02 111.419 -174.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.632 ' H ' ' HD3' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -113.24 161.35 17.3 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.509 1.524 . . . . 72.23 108.338 176.26 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.2 pt -103.45 8.69 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.189 0.595 . . . . 74.11 111.759 -174.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 80.5 t80 65.31 89.54 0.1 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.488 1.115 . . . . 73.52 109.932 -174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -81.48 118.14 22.48 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.849 -0.614 . . . . 74.53 110.317 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -115.66 -32.05 5.64 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.128 0.971 . . . . 71.33 108.548 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -101.18 130.01 47.19 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.663 1.185 . . . . 75.04 108.396 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.63 110.75 3.68 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-O 119.214 -0.77 . . . . 72.13 113.04 -175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 64.8 -80.5 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.722 1.209 . . . . 74.11 111.454 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.1 t -161.29 5.69 0.07 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.203 1.001 . . . . 75.41 110.058 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.1 pt -104.27 168.1 2.54 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 C-N-CA 123.66 0.784 . . . . 60.21 109.922 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.24 -171.06 1.8 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.49 0.716 . . . . 73.33 110.617 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 CA--C 1.556 1.183 0 C-N-CA 124.247 1.019 . . . . 61.24 111.26 -178.064 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.836 0 N-CA-C 111.966 -0.454 . . . . 74.05 111.966 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.24 -168.68 29.93 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.857 0.386 . . . . 61.43 112.644 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.1 p -71.4 144.15 88.83 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 123.531 0.732 . . . . 65.41 110.515 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.31 -29.01 28.59 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 123.613 2.876 . . . . 75.45 115.794 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 t70 -69.81 -23.3 63.3 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.286 0.476 . . . . 74.31 112.286 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.19 -36.88 61.38 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.051 0.54 . . . . 74.35 109.689 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.586 -0.734 . . . . 64.15 109.714 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 5' ' ' ASP . 80.1 mt -60.7 -42.23 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.547 1.139 . . . . 74.34 111.589 175.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.15 -31.59 67.36 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.263 0.625 . . . . 74.22 111.229 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -75.17 -44.15 48.36 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.057 0.943 . . . . 71.25 110.72 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.65 -24.88 64.59 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.633 0.773 . . . . 75.45 111.612 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -41.74 47.69 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.839 1.255 . . . . 64.41 108.284 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -68.95 -32.39 71.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.557 -0.747 . . . . 71.11 110.307 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.12 61.3 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.024 0.929 . . . . 64.14 110.71 175.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -70.59 -46.39 63.54 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.981 0.912 . . . . 53.22 110.056 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 43.4 mmtm -65.47 -35.36 80.68 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.196 0.935 . . . . 73.4 111.196 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -67.15 -46.5 73.87 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.075 0.95 . . . . 74.35 109.77 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.36 75.06 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.605 1.162 . . . . 54.2 111.256 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.18 -35.76 66.45 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.872 1.269 . . . . 74.41 109.464 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 44.0 mm-40 -63.25 -38.27 90.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.15 0.58 . . . . 71.03 110.706 174.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.65 -15.24 59.32 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.063 -0.971 . . . . 74.03 111.34 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.85 24.5 14.6 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.996 1.318 . . . . 62.15 110.464 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.406 ' HB2' HD12 ' A' ' 26' ' ' LEU . 79.0 mt-30 -96.87 99.85 11.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.905 . . . . 74.44 109.397 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.84 -22.63 78.69 Favored Glycine 0 C--N 1.35 1.322 0 CA-C-N 115.148 -0.933 . . . . 64.21 114.728 -171.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.32 -47.45 86.0 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.241 -0.651 . . . . 64.31 109.241 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD12 ' HB2' ' A' ' 23' ' ' GLN . 96.8 mt -62.46 -45.27 93.82 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.712 -1.131 . . . . 71.41 110.894 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -62.43 -40.58 97.03 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.545 0.738 . . . . 74.14 111.816 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -42.62 75.49 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.234 -0.894 . . . . 54.03 111.36 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.19 -31.73 73.05 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.611 0.765 . . . . 54.33 110.691 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.31 66.32 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.612 0.765 . . . . 32.41 110.27 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.27 -33.41 75.26 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.004 0.922 . . . . 64.55 111.621 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 45.8 t80 -65.84 -45.05 83.66 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.493 0.717 . . . . 73.02 109.079 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 93.9 m-20 -66.13 -45.33 81.44 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 123.98 0.8 . . . . 73.11 111.006 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 90.4 mt -56.2 -41.67 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.338 0.655 . . . . 54.42 109.75 175.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.23 -47.32 89.04 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 124.092 0.87 . . . . 64.15 112.717 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 90.0 mt -59.54 -37.32 78.09 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.585 0.754 . . . . 63.45 110.311 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 25.7 mm-40 -66.84 -47.91 70.49 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.029 0.831 . . . . 75.42 110.391 177.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 72.6 mmtt -57.17 -38.89 74.28 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.011 0.434 . . . . 74.51 110.563 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -64.6 -46.91 80.65 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.617 1.167 . . . . 54.01 110.149 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -76.65 -16.4 59.56 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.346 0.659 . . . . 54.33 111.983 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 90.4 mtp -74.74 -22.35 58.85 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 122.972 0.509 . . . . 73.53 110.594 171.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.24 -17.5 40.57 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.127 -0.488 . . . . 70.51 112.248 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -87.66 64.23 7.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.087 0.946 . . . . 74.23 109.954 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.63 -25.25 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 113.72 -1.582 . . . . 71.03 110.828 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -40.82 91.65 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.788 1.235 . . . . 63.44 110.917 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -71.69 -38.94 70.51 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.154 0.582 . . . . 61.31 110.148 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -41.65 67.66 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.507 1.123 . . . . 73.11 111.375 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -52.28 -54.29 15.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 O-C-N 124.885 1.366 . . . . 64.05 111.27 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.44 -34.08 74.81 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.47 0.708 . . . . 72.43 111.961 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -73.59 -34.07 64.91 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.259 0.624 . . . . 71.35 112.393 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.83 -29.26 58.56 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.598 0.359 . . . . 74.31 110.389 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.31 -44.5 71.64 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.625 0.77 . . . . 73.42 109.296 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 57' ' ' VAL . 66.1 mtt-85 -66.49 -47.93 71.45 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 114.621 -1.172 . . . . 64.51 110.257 175.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.47 72.22 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.143 0.902 . . . . 72.11 111.206 -178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.92 -34.79 78.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.373 1.069 . . . . 74.11 111.567 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -71.53 -39.2 70.88 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.922 0.889 . . . . 71.42 111.021 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 53' ' ' ARG . 50.0 t -69.63 -38.63 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 109.185 -0.672 . . . . 74.41 109.185 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.28 -29.89 69.62 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.712 0.805 . . . . 75.45 111.697 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.82 -40.18 83.83 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.114 -0.698 . . . . 62.11 109.114 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.64 90.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.316 0.647 . . . . 62.21 110.644 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 12.1 mm-40 -76.93 -16.3 59.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.671 -0.695 . . . . 74.53 111.977 176.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.4 m80 60.81 26.74 16.56 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 124.571 1.149 . . . . 45.43 110.177 -173.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -82.67 101.22 10.69 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.315 1.046 . . . . 63.13 108.711 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 t -66.95 -29.63 69.54 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.313 -0.858 . . . . 65.01 112.114 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.5 -59.41 5.28 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.229 0.612 . . . . 62.43 110.695 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.23 -32.27 65.59 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 124.236 0.96 . . . . 64.34 113.416 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.49 97.35 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.54 0.336 . . . . 74.13 110.451 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -73.06 -30.52 63.76 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.441 0.697 . . . . 71.21 111.246 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -60.24 -48.61 81.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.582 0.753 . . . . 64.2 110.445 174.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.46 -34.42 72.41 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 114.926 -1.034 . . . . 73.52 110.638 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.18 87.66 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.56 0.744 . . . . 63.33 111.678 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -67.09 -48.45 68.14 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.418 1.087 . . . . 52.22 109.271 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 t -68.69 -29.93 68.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.294 -0.866 . . . . 74.11 110.879 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.44 -45.48 87.29 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.916 0.886 . . . . 74.11 110.743 169.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 t -59.63 -39.33 83.97 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 122.632 0.373 . . . . 74.45 110.326 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -70.03 -37.8 75.7 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.97 0.508 . . . . 42.53 110.128 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.57 81.2 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.929 0.892 . . . . 74.35 111.226 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.262 0.625 . . . . 73.1 111.745 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -68.91 -28.32 66.56 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 122.676 0.39 . . . . 72.32 110.981 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -81.43 -44.8 16.97 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.273 0.629 . . . . 54.3 110.865 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.84 -43.66 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.116 0.966 . . . . 71.32 110.53 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -104.66 34.91 2.94 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.191 0.996 . . . . 71.54 110.256 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.63 67.93 2.54 Favored Glycine 0 C--N 1.349 1.302 0 CA-C-N 116.25 -0.432 . . . . 74.24 112.621 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.8 m -74.77 -40.56 61.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.989 0.915 . . . . 45.21 109.897 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.17 29.71 11.86 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 114.799 -1.091 . . . . 45.23 112.166 174.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -84.88 170.9 12.66 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 123.96 0.904 . . . . 73.12 109.155 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.53 -31.57 72.78 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.53 0.732 . . . . 63.24 110.965 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.34 -70.1 2.24 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 115.416 -0.811 . . . . 43.35 112.197 176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -120.65 131.05 54.39 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.741 0.816 . . . . 61.43 109.728 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.5 pt -134.08 108.15 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.553 1.141 . . . . 55.41 108.783 171.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -79.54 72.83 6.22 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 107.457 -1.312 . . . . 41.42 107.457 170.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -142.36 169.54 17.4 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.57 1.548 . . . . 74.04 108.721 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -125.53 78.38 1.73 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.942 -1.133 . . . . 73.33 107.942 171.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.54 140.79 37.48 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 114.632 -1.167 . . . . 63.13 107.991 -178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.64 44.97 4.42 Favored Glycine 0 C--N 1.344 0.986 0 N-CA-C 111.19 -0.764 . . . . 75.54 111.19 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.64 134.07 46.11 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.815 0.846 . . . . 75.44 111.426 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.6 m -72.05 109.91 6.17 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.29 0.636 . . . . 61.43 109.44 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.55 119.34 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 N-CA-C 108.529 -0.915 . . . . 72.31 108.529 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.62 -30.76 66.14 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 123.639 0.775 . . . . 70.51 111.255 -171.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 124.131 0.972 . . . . 73.02 109.265 175.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.446 -0.262 . . . . 62.33 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.36 166.89 25.67 Favored Glycine 0 N--CA 1.47 0.934 0 N-CA-C 111.116 -0.794 . . . . 61.22 111.116 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.4 p -67.19 150.09 98.1 Favored Pre-proline 0 N--CA 1.473 0.714 0 CA-C-O 118.834 -0.603 . . . . 72.0 110.172 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 8' ' ' ILE . 9.9 Cg_endo -50.76 -32.27 36.01 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.998 2.465 . . . . 62.42 112.642 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.568 ' HA ' HD12 ' A' ' 8' ' ' ILE . 34.6 t70 -58.69 -43.61 90.05 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.361 1.064 . . . . 72.14 111.376 174.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -69.43 -38.18 77.74 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.254 0.622 . . . . 74.24 111.548 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -66.03 -30.74 71.33 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.816 0.447 . . . . 71.12 111.479 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.8 mt -52.96 -43.43 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 124.341 1.056 . . . . 72.34 111.161 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.55 74.61 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 124.183 0.927 . . . . 72.05 111.998 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -66.64 -39.93 88.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.02 0.928 . . . . 62.22 110.66 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -70.3 -28.45 65.2 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.994 -0.548 . . . . 74.12 110.868 176.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 52.5 mt-10 -73.97 -33.53 63.9 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.446 0.698 . . . . 75.3 110.919 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -69.14 -37.29 78.2 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.988 0.423 . . . . 72.24 109.918 174.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.48 66.53 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.982 -1.008 . . . . 63.33 110.828 174.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.45 -43.87 59.36 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.628 1.171 . . . . 54.14 111.199 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 34.3 mmtp -76.48 -33.21 58.68 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.878 0.471 . . . . 74.42 111.146 -176.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -67.84 -44.71 76.57 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 109.442 -0.577 . . . . 74.32 109.442 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.26 70.29 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.845 0.858 . . . . 52.12 111.304 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.28 -48.82 79.64 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.857 1.263 . . . . 70.3 111.787 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.19 -19.72 61.04 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.574 0.349 . . . . 73.03 111.306 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.7 -9.39 58.88 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.555 0.742 . . . . 72.22 111.191 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.2 t30 66.21 19.96 11.09 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.137 1.375 . . . . 64.22 110.822 -176.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -93.1 89.79 6.62 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.904 -0.776 . . . . 74.45 108.904 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.55 -22.61 76.64 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-N 114.724 -1.125 . . . . 74.02 113.21 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 7.0 pt-20 -61.73 -43.91 97.94 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 109.749 -0.463 . . . . 75.21 109.749 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.8 -42.89 97.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.092 0.957 . . . . 74.23 110.23 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 mtm -62.93 -36.74 84.42 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.698 0.624 . . . . 54.45 111.713 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.57 -43.75 75.33 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.323 -0.711 . . . . 62.24 111.323 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 24.0 mtt-85 -66.56 -33.6 76.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.392 0.677 . . . . 75.33 109.969 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.72 -51.86 65.51 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.155 0.909 . . . . 62.33 110.207 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.9 mt -64.01 -34.89 79.04 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.891 0.745 . . . . 65.04 111.197 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -62.82 -47.79 81.89 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.537 0.735 . . . . 75.41 109.945 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 91.0 m-20 -67.94 -41.68 82.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.311 0.645 . . . . 65.43 111.092 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.5 mt -58.62 -41.08 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 123.46 0.704 . . . . 71.4 109.958 174.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.36 97.2 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.289 -0.869 . . . . 44.11 111.937 176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 97.0 mt -64.47 -35.76 81.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.306 0.642 . . . . 74.22 111.048 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 17.0 mm-40 -65.58 -43.22 90.43 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 123.48 0.487 . . . . 62.51 110.457 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HE2' HD13 ' A' ' 8' ' ' ILE . 5.2 mptp? -60.76 -44.2 97.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.875 0.87 . . . . 74.55 110.072 174.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -63.26 -35.59 80.84 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 124.257 0.973 . . . . 60.21 110.721 -176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 34.5 mtmm -71.75 -30.39 65.55 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.29 0.636 . . . . 74.12 111.295 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.411 ' HE3' ' HD2' ' A' ' 43' ' ' LYS . 77.4 mtm -81.53 -4.11 55.07 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.03 0.532 . . . . 73.34 111.3 176.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.96 88.06 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 120.064 -0.298 . . . . 45.44 112.977 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HD2' ' HE3' ' A' ' 41' ' ' MET . 92.4 mttt -89.54 62.29 5.87 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.056 1.342 . . . . 74.55 108.799 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 t -72.02 -27.01 26.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 114.35 -1.295 . . . . 71.31 112.007 -166.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HE3' HG13 ' A' ' 81' ' ' VAL . 10.7 mptt -63.97 -42.16 97.32 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 110.338 -0.245 . . . . 72.21 110.338 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.43 -43.43 94.35 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.81 0.694 . . . . 74.04 110.327 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.9 -44.24 70.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.076 0.951 . . . . 64.21 110.843 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 81' ' ' VAL . 96.6 mt -56.41 -48.71 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.898 1.279 . . . . 73.43 111.295 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -55.37 -47.13 76.25 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.326 1.016 . . . . 72.44 110.326 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 57.2 m-85 -66.3 -39.13 89.13 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.186 0.929 . . . . 70.22 112.364 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.65 -29.61 66.0 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.382 0.426 . . . . 75.21 110.922 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.13 -43.02 59.05 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.54 0.736 . . . . 72.33 110.323 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 57' ' ' VAL . 75.6 mtt180 -66.51 -46.96 74.49 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.43 -0.804 . . . . 73.33 109.581 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -44.02 75.43 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.671 1.232 . . . . 74.1 110.562 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.17 -39.77 91.39 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.499 1.125 . . . . 75.14 111.725 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -68.94 -45.76 69.95 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.243 0.617 . . . . 73.02 110.977 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 53' ' ' ARG . 46.8 t -66.99 -32.37 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 C-N-CA 123.519 0.728 . . . . 74.13 110.144 -177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -67.22 -45.55 76.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.186 0.994 . . . . 72.32 110.244 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.16 -40.27 85.07 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.983 0.913 . . . . 52.52 111.439 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.53 79.64 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.184 -0.916 . . . . 71.02 111.184 175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 12.2 mm-40 -85.75 -7.93 58.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.532 1.133 . . . . 74.31 112.045 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.2 m80 64.76 24.24 12.83 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 124.527 1.131 . . . . 71.02 111.283 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.37 70.44 10.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.9 1.28 . . . . 72.13 107.576 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -73.43 -31.66 63.95 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.301 -0.863 . . . . 74.24 112.772 -166.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.77 -32.05 65.35 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.706 0.402 . . . . 74.4 110.772 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.23 86.16 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.441 -0.663 . . . . 42.24 111.441 172.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.91 83.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.926 0.89 . . . . 53.43 111.116 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -70.6 -34.07 71.74 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.546 1.539 . . . . 71.55 110.948 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -75.5 -35.1 60.86 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.181 0.593 . . . . 73.44 109.975 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.71 94.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 115.703 -0.68 . . . . 32.23 109.561 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -72.19 -30.27 64.79 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.265 1.026 . . . . 55.44 111.79 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.59 -37.25 62.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.423 0.689 . . . . 63.35 110.231 177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 t -71.46 -31.09 66.77 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.485 -0.78 . . . . 73.14 109.452 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 71' ' ' ALA . 14.5 mt -62.79 -52.39 63.38 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 124.177 0.991 . . . . 72.11 111.302 175.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.7 p -59.52 -38.78 81.87 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.616 0.572 . . . . 34.22 111.46 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.542 ' HA ' HE21 ' A' ' 79' ' ' GLN . 0.8 OUTLIER -67.78 -34.95 77.79 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.494 1.118 . . . . 75.01 111.335 174.387 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.61 63.63 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.949 0.9 . . . . 72.5 111.732 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -61.31 -30.86 70.76 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.494 0.718 . . . . 73.35 112.064 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.542 HE21 ' HA ' ' A' ' 76' ' ' GLU . 34.7 mt-30 -60.8 -35.78 77.34 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.414 0.686 . . . . 63.03 110.966 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -74.15 -34.39 63.83 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.008 -0.996 . . . . 72.51 110.411 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.677 HG13 ' HE3' ' A' ' 45' ' ' LYS . 57.2 t -69.56 -35.09 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 124.26 1.024 . . . . 73.21 110.669 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -83.62 3.48 32.6 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.287 -0.869 . . . . 73.42 111.693 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.88 -82.26 1.7 Allowed Glycine 0 C--N 1.349 1.296 0 CA-C-N 116.268 -0.423 . . . . 75.42 112.098 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.3 p -76.71 110.27 11.16 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.937 0.495 . . . . 63.3 109.789 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 79' ' ' GLN . . . -151.99 -154.89 6.79 Favored Glycine 0 C--N 1.335 0.475 0 N-CA-C 111.226 -0.75 . . . . 54.4 111.226 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.94 148.29 46.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.947 0.499 . . . . 63.04 109.821 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -21.82 59.71 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 117.663 0.21 . . . . 61.04 111.207 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.48 56.44 2.01 Favored Glycine 0 C--N 1.346 1.117 0 N-CA-C 112.451 -0.26 . . . . 73.23 112.451 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.27 79.97 8.6 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 107.609 -1.256 . . . . 74.04 107.609 173.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.0 mm -119.05 117.36 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 114.994 -1.003 . . . . 71.23 108.515 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -67.74 148.3 51.46 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 108.962 -0.755 . . . . 75.31 108.962 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -90.11 100.96 13.68 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.47 0.708 . . . . 65.42 109.442 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -85.83 115.7 23.63 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.293 -0.632 . . . . 53.2 109.293 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.19 135.12 38.49 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.828 0.451 . . . . 74.44 110.561 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.66 -157.19 23.35 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.622 -0.263 . . . . 60.25 112.638 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HG2' HG23 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -134.73 -21.07 1.73 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.428 1.091 . . . . 71.11 110.124 -177.782 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.9 t 69.39 29.89 4.31 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.127 1.371 . . . . 54.24 112.3 170.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.471 HG23 ' HG2' ' A' ' 96' ' ' GLU . 28.3 pt -84.86 164.99 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 122.494 0.317 . . . . 73.03 110.323 175.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 pp -140.8 150.49 43.4 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.463 0.705 . . . . 72.5 109.963 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--O 1.249 1.073 0 N-CA-C 108.533 -0.914 . . . . 72.01 108.533 167.505 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 112.071 -0.412 . . . . 61.23 112.071 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.59 39.77 0.02 OUTLIER Glycine 0 C--N 1.338 0.641 0 N-CA-C 110.745 -0.942 . . . . 62.24 110.745 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -59.64 150.21 67.69 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 124.478 1.111 . . . . 61.44 111.792 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.89 -28.19 66.82 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.687 2.258 . . . . 74.02 113.072 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -59.35 -40.29 85.95 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.22 1.008 . . . . 61.02 112.013 174.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.37 -33.71 69.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.907 0.883 . . . . 72.24 110.739 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.4 -42.23 92.82 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.519 -0.764 . . . . 73.41 111.09 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.52 -48.12 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.732 0.813 . . . . 74.34 110.612 176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.64 68.52 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.347 0.659 . . . . 54.02 111.843 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -74.99 -37.61 61.82 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.165 0.986 . . . . 71.14 111.342 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -70.48 -29.78 66.4 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.489 0.315 . . . . 75.45 110.679 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.54 -34.68 70.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.542 0.737 . . . . 71.44 111.051 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -71.81 -39.55 69.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.185 0.594 . . . . 44.21 110.254 178.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.27 -27.74 60.88 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.257 -0.883 . . . . 74.22 111.101 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -58.45 -49.47 77.21 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.549 1.14 . . . . 72.01 111.184 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -30.9 66.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.826 . . . . 62.22 112.087 -176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -61.52 -43.59 98.59 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.099 0.56 . . . . 74.04 110.155 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.69 65.87 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.423 -0.808 . . . . 64.13 111.52 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.87 -41.66 78.07 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.007 0.923 . . . . 73.53 111.578 -175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.05 -27.72 61.06 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.506 -0.77 . . . . 74.12 111.013 -178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.5 mt -85.75 -4.74 59.24 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.736 0.814 . . . . 55.31 111.096 174.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.43 HD22 ' N ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER 65.19 21.44 12.11 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.095 1.358 . . . . 60.33 111.58 177.495 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.558 ' HB3' HD13 ' A' ' 26' ' ' LEU . 77.0 mt-30 -82.86 79.51 9.21 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.402 1.081 . . . . 74.11 108.66 175.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.77 -29.6 75.72 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-N 115.226 -0.897 . . . . 74.23 113.108 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.83 -44.66 82.3 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.222 1.009 . . . . 75.32 111.295 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 23' ' ' GLN . 6.4 mp -75.56 -28.04 58.84 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.708 0.803 . . . . 64.54 111.611 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.1 mtm -68.27 -37.61 80.9 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.171 0.589 . . . . 71.43 110.733 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.83 -40.98 89.39 Favored Glycine 0 C--N 1.345 1.069 0 CA-C-N 115.529 -0.759 . . . . 73.01 111.273 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.23 -38.47 83.51 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.045 0.938 . . . . 64.43 110.568 174.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.29 58.04 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 122.925 0.49 . . . . 61.24 111.191 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.66 -33.18 75.08 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.844 0.715 . . . . 64.21 111.392 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -63.13 -49.0 76.14 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.384 0.674 . . . . 53.22 110.149 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 5.7 m-20 -66.99 -33.23 75.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.153 -0.931 . . . . 53.15 111.52 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.26 -43.76 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.318 0.647 . . . . 71.23 109.775 172.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.68 -36.86 93.86 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 124.027 0.829 . . . . 31.31 112.319 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.2 mt -62.1 -45.61 92.72 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.456 0.702 . . . . 73.34 109.801 174.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 8.8 mm-40 -65.34 -36.89 85.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.684 0.615 . . . . 40.01 111.797 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -63.44 -44.04 95.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.919 0.487 . . . . 71.12 110.212 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -61.59 -40.87 96.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.023 0.929 . . . . 73.31 110.123 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 74.0 mmtt -61.47 -39.74 91.98 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.754 0.822 . . . . 65.31 111.361 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.5 mtm -84.4 -3.57 58.4 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 115.483 -0.781 . . . . 63.45 111.704 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.39 7.23 86.81 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.724 -0.486 . . . . 62.14 113.829 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -84.89 66.2 9.58 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 107.551 -1.277 . . . . 74.03 107.551 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.593 HG11 ' HB2' ' A' ' 80' ' ' LYS . 47.6 t -74.11 -26.98 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 114.807 -1.088 . . . . 74.22 112.148 -167.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -68.89 -44.15 73.81 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.908 -0.405 . . . . 71.24 109.908 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.55 -28.66 67.16 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 123.804 0.69 . . . . 75.5 110.652 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.39 81.85 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.852 0.72 . . . . 60.04 110.515 173.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.57 -48.91 82.12 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 O-C-N 124.819 1.324 . . . . 55.22 111.256 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.19 -44.0 87.82 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 123.986 0.803 . . . . 74.44 110.679 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.35 -32.27 64.43 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.808 0.67 . . . . 75.51 112.808 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -69.49 -32.03 70.66 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 118.011 0.369 . . . . 75.4 110.786 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.9 -45.25 61.91 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 124.126 0.891 . . . . 71.1 109.513 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 57' ' ' VAL . 96.1 mtt180 -63.65 -43.57 96.39 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.12 0.887 . . . . 73.34 110.381 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.54 81.3 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 123.815 0.697 . . . . 60.52 111.197 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -66.97 -36.57 82.49 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.81 1.318 . . . . 62.24 110.556 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.96 -41.88 98.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.592 1.157 . . . . 65.43 110.916 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 53' ' ' ARG . 41.1 t -73.85 -37.21 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-N 115.682 -0.69 . . . . 54.01 110.262 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -59.83 -36.91 77.79 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.353 0.661 . . . . 64.01 111.67 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.92 -39.22 93.18 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.126 0.57 . . . . 75.22 110.584 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.18 76.94 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.786 0.834 . . . . 75.01 110.968 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -76.04 -14.23 60.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.59 0.756 . . . . 74.32 111.578 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 67.41 21.17 9.77 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.891 1.276 . . . . 74.54 111.582 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.77 81.93 6.89 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.881 -1.155 . . . . 74.54 107.881 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.0 t -67.24 -29.91 69.67 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.349 -1.296 . . . . 73.33 111.229 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.85 -49.48 65.58 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.876 0.47 . . . . 74.22 110.438 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.61 -36.63 93.38 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 115.905 -0.589 . . . . 55.21 112.899 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -42.43 91.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.187 0.595 . . . . 42.11 112.384 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -65.55 -34.96 79.48 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.706 0.403 . . . . 75.45 110.762 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -70.37 -34.57 72.75 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.828 0.851 . . . . 70.13 110.411 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.02 73.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.393 0.677 . . . . 53.34 110.605 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -73.94 -26.27 60.41 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.189 0.931 . . . . 62.52 111.527 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -43.48 65.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.988 -0.745 . . . . 70.43 108.988 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 m -67.14 -30.23 70.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.586 0.754 . . . . 61.42 111.637 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 71' ' ' ALA . 16.3 mt -60.67 -45.37 94.42 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.436 0.695 . . . . 75.34 110.698 169.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m -56.88 -36.4 70.06 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 123.682 0.614 . . . . 75.15 111.616 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 25.8 mm-40 -70.47 -41.62 72.53 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.134 0.896 . . . . 73.2 110.78 176.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.32 -39.15 82.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.441 0.696 . . . . 63.52 112.078 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -64.5 -23.5 67.3 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.19 0.596 . . . . 74.14 111.632 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 76' ' ' GLU . 72.8 mt-30 -60.62 -44.0 96.82 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.023 0.529 . . . . 64.3 111.314 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.593 ' HB2' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -79.81 -35.23 38.73 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.618 0.367 . . . . 62.42 111.118 -178.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.04 -51.25 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.719 0.808 . . . . 74.01 111.504 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -83.11 0.35 45.48 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.271 0.629 . . . . 62.44 110.853 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.65 80.38 0.06 OUTLIER Glycine 0 C--N 1.359 1.845 0 O-C-N 123.586 0.554 . . . . 54.42 113.155 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.1 p -97.71 67.06 1.98 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.13 0.972 . . . . 64.21 110.254 -176.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -78.77 -35.62 31.23 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 114.88 -1.054 . . . . 53.33 112.802 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -87.74 -44.26 11.28 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.92 0.488 . . . . 63.13 110.073 178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 63.43 107.97 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.862 1.265 . . . . 75.45 110.994 -176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.71 116.76 9.74 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 119.533 -0.593 . . . . 34.0 112.393 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -59.85 103.83 0.24 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.393 0.677 . . . . 70.22 110.87 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.3 mp 50.52 56.16 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 CA-C-O 123.141 1.448 . . . . 71.34 108.867 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -78.71 126.33 30.59 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 114.005 -1.452 . . . . 75.44 108.022 171.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 69.4 113.04 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.737 1.215 . . . . 74.11 110.511 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -117.99 5.99 12.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.791 0.837 . . . . 74.02 110.094 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' HB3' ' HA ' ' A' ' 97' ' ' SER . 44.2 mt-10 76.34 -30.3 0.18 Allowed 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.934 1.694 . . . . 74.34 112.422 -175.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.78 -86.78 0.45 Allowed Glycine 0 C--N 1.354 1.546 0 CA-C-N 117.698 0.227 . . . . 74.44 112.927 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.86 -32.72 59.85 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.68 0.792 . . . . 74.44 110.478 175.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' A' ' 94' ' ' GLU . 50.7 m 67.8 171.11 0.27 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.6 1.16 . . . . 74.25 111.951 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.1 mt -73.54 92.48 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 115.78 -0.645 . . . . 73.04 109.59 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.6 mp 62.5 82.97 0.16 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.773 1.229 . . . . 75.2 110.509 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 CA--C 1.554 1.123 0 CA-C-O 118.917 -0.563 . . . . 73.44 109.861 -178.72 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.824 -0.51 . . . . 73.11 111.824 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.88 44.81 0.02 OUTLIER Glycine 0 C--N 1.342 0.9 0 N-CA-C 112.325 -0.31 . . . . 71.0 112.325 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 73.6 m -69.03 134.51 89.65 Favored Pre-proline 0 N--CA 1.471 0.599 0 CA-C-O 118.667 -0.682 . . . . 74.24 110.268 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.446 ' O ' HG13 ' A' ' 8' ' ' ILE . 51.3 Cg_exo -54.76 -33.72 81.79 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.349 2.699 . . . . 62.43 114.481 -171.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -69.92 -37.56 75.98 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.505 0.722 . . . . 72.14 111.265 178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -74.13 -27.11 60.7 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.972 -0.558 . . . . 73.34 109.978 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -72.37 -39.86 67.74 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.397 -0.82 . . . . 72.43 109.626 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG12 HG23 ' A' ' 34' ' ' ILE . 75.5 mt -57.76 -47.52 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 124.142 0.977 . . . . 62.14 109.898 174.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -59.62 -37.42 78.57 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 124.334 1.021 . . . . 55.45 111.324 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.24 -42.76 88.14 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.014 0.926 . . . . 71.23 110.968 176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.41 -26.16 61.75 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.875 0.47 . . . . 74.12 110.724 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.19 -28.78 65.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.166 0.986 . . . . 63.52 111.576 176.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 87.6 mttt -68.45 -48.38 64.7 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.509 -0.552 . . . . 64.22 109.509 173.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.28 -27.94 68.32 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.832 -1.076 . . . . 71.05 111.417 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -70.32 -55.66 8.63 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.942 0.897 . . . . 75.54 110.784 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -77.13 -25.74 52.43 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.412 -0.813 . . . . 74.21 112.095 -173.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -70.81 -41.3 71.75 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.466 -0.568 . . . . 64.24 109.466 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -30.49 68.95 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 123.337 0.398 . . . . 14.4 111.004 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.49 -47.7 77.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.664 0.786 . . . . 53.44 109.625 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -60.62 -39.84 89.7 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 114.205 -1.361 . . . . 74.22 110.347 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.68 -9.64 59.28 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.27 0.628 . . . . 73.02 111.928 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 64.69 26.62 13.14 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 124.316 1.046 . . . . 62.55 111.451 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.589 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.9 mm-40 -84.13 91.71 7.74 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.39 1.476 . . . . 75.31 108.606 172.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.11 -52.28 50.96 Favored Glycine 0 C--N 1.342 0.889 0 O-C-N 123.253 0.345 . . . . 75.12 112.855 -175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.732 ' HG3' HD12 ' A' ' 26' ' ' LEU . 7.1 pt-20 -53.12 -40.63 64.33 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.459 1.103 . . . . 62.41 112.292 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 ' HG3' ' A' ' 25' ' ' GLU . 4.7 mp -69.08 -32.39 71.81 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.904 0.481 . . . . 74.31 111.831 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 58.3 mtm -67.36 -41.35 85.24 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 123.305 0.378 . . . . 63.51 110.725 172.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.99 -37.61 94.15 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 115.595 -0.73 . . . . 54.21 112.308 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 40.3 mtm180 -59.33 -47.45 85.35 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.203 0.601 . . . . 63.13 109.826 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.19 -46.71 85.32 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.665 1.228 . . . . 32.14 111.157 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 53' ' ' ARG . 70.4 mt -62.7 -42.55 99.7 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.88 0.738 . . . . 70.42 111.269 178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.23 -43.84 98.23 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.041 0.937 . . . . 64.45 110.707 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -39.17 64.09 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.716 0.807 . . . . 75.31 111.415 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 HG12 ' A' ' 8' ' ' ILE . 96.8 mt -63.16 -35.54 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.526 0.73 . . . . 74.4 109.659 172.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.58 -42.11 99.07 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 115.301 -0.863 . . . . 71.4 112.019 172.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.25 -33.16 75.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.27 0.628 . . . . 73.03 110.945 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -68.35 -40.86 81.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.918 0.487 . . . . 71.11 110.841 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -66.08 -39.64 90.21 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.019 0.528 . . . . 71.14 110.319 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -64.68 -40.71 95.87 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.904 1.281 . . . . 74.25 111.06 -174.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.4 -21.67 58.06 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.917 0.487 . . . . 74.1 111.999 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.3 mtm -89.21 -2.07 58.34 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.053 0.541 . . . . 72.4 112.193 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.8 2.92 88.95 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-O 120.225 -0.209 . . . . 52.25 112.79 -174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -92.63 50.91 1.65 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.059 -1.089 . . . . 75.02 108.059 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 80' ' ' LYS . 21.7 t -71.19 -21.99 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 113.716 -1.584 . . . . 60.31 110.439 -173.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.659 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 3.1 mptp? -62.59 -36.98 84.45 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.059 -1.428 . . . . 71.34 110.01 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.47 -38.92 39.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.923 0.889 . . . . 74.01 110.154 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.22 -40.11 70.46 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 124.377 1.071 . . . . 32.32 112.63 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.83 -52.91 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 O-C-N 124.446 1.091 . . . . 62.03 110.502 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.34 -36.6 80.61 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.128 0.892 . . . . 73.2 111.347 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -68.33 -38.71 81.79 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.144 0.577 . . . . 65.14 111.809 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -72.91 -28.6 62.56 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.825 0.45 . . . . 74.53 110.365 176.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.77 -45.04 68.91 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.603 0.761 . . . . 53.14 110.038 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . 81.0 mtp180 -64.55 -49.14 72.4 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 115.291 -0.868 . . . . 72.1 109.752 175.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.66 -49.48 72.79 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.456 1.098 . . . . 72.01 111.434 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.51 -36.59 84.7 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.176 0.922 . . . . 75.04 110.904 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -66.08 -39.6 90.17 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.664 0.603 . . . . 75.0 111.029 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 53' ' ' ARG . 93.0 t -69.3 -47.73 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-N 115.75 -0.659 . . . . 65.33 109.723 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -61.47 -29.51 70.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.799 0.84 . . . . 72.52 111.895 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -43.75 78.35 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.672 0.789 . . . . 73.33 110.082 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.54 80.32 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.869 -0.605 . . . . 73.31 111.517 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.5 -13.7 59.85 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.61 0.764 . . . . 60.54 111.077 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m80 60.09 29.72 19.26 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.349 1.059 . . . . 61.41 111.15 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.3 102.36 11.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.335 1.054 . . . . 71.2 108.361 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 t -65.17 -42.4 93.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.585 0.754 . . . . 70.32 112.668 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -65.59 -48.17 73.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.869 0.468 . . . . 73.21 111.762 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.59 -40.53 85.98 Favored Glycine 0 C--N 1.338 0.639 0 O-C-N 123.649 0.593 . . . . 71.54 112.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.5 98.59 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.445 0.698 . . . . 75.12 111.657 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -68.71 -41.42 79.13 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.614 -0.721 . . . . 73.33 110.761 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -70.7 -31.23 68.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 111.636 0.235 . . . . 72.01 111.636 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.25 92.75 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.716 0.406 . . . . 72.11 110.007 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.14 60.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.562 0.745 . . . . 75.2 112.322 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.7 -40.11 56.32 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.974 0.51 . . . . 63.44 109.697 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.6 m -67.75 -30.58 70.08 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.262 -0.881 . . . . 64.43 110.419 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.85 -43.08 94.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.755 0.822 . . . . 70.3 111.137 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -57.55 -41.98 82.07 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.47 0.708 . . . . 72.15 110.543 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.35 -37.23 66.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.425 0.69 . . . . 72.41 110.884 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.39 96.08 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.812 0.845 . . . . 63.43 111.751 -175.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -67.46 -24.61 65.64 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 124.103 0.961 . . . . 75.52 111.181 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -77.99 -30.81 50.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.923 0.489 . . . . 63.31 110.867 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HB2' HG11 ' A' ' 44' ' ' VAL . 60.7 mttm -78.89 -24.36 44.25 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.237 0.615 . . . . 70.03 111.141 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.96 -68.75 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 C-N-CA 123.888 0.875 . . . . 65.22 109.68 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.25 101.11 0.51 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 109.262 -0.644 . . . . 64.41 109.262 169.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 147.94 177.11 22.05 Favored Glycine 0 C--O 1.246 0.871 0 N-CA-C 110.765 -0.934 . . . . 50.44 110.765 -174.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.8 p -69.36 100.29 1.34 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.233 0.613 . . . . 72.34 110.007 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 145.22 46.45 0.04 OUTLIER Glycine 0 C--N 1.342 0.861 0 N-CA-C 111.324 -0.71 . . . . 71.2 111.324 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -160.58 97.7 1.21 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 122.887 0.475 . . . . 73.23 109.968 -175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -101.43 122.36 43.61 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.563 0.745 . . . . 72.2 109.123 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.49 44.98 3.43 Favored Glycine 0 C--N 1.342 0.89 0 C-N-CA 122.738 0.209 . . . . 43.31 112.816 -176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -99.12 79.24 2.32 Favored 'General case' 0 C--O 1.246 0.91 0 N-CA-C 108.506 -0.924 . . . . 70.23 108.506 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.85 118.32 31.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 107.636 -1.246 . . . . 54.33 107.636 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -65.84 164.6 14.52 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 122.892 0.477 . . . . 73.11 110.022 175.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.25 34.56 0.47 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 122.92 0.488 . . . . 73.21 111.802 -170.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 61.27 54.2 3.29 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 124.552 1.141 . . . . 63.14 109.374 -174.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.3 133.15 50.82 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 113.597 -1.638 . . . . 73.22 110.992 -174.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.62 18.89 50.65 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-O 119.558 -0.579 . . . . 73.14 113.028 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.44 160.03 33.46 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 117.539 0.669 . . . . 73.25 110.016 175.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.6 p -162.49 149.6 13.5 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.739 0.416 . . . . 44.41 110.574 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 38.8 pt -81.79 158.22 4.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 C-N-CA 123.479 0.712 . . . . 52.25 110.423 176.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.86 111.64 23.13 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 108.935 -0.765 . . . . 72.25 108.935 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 C--O 1.251 1.181 0 C-N-CA 124.133 0.973 . . . . 52.43 109.544 -179.512 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 111.78 -0.528 . . . . 33.24 111.78 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.85 -41.54 0.55 Allowed Glycine 0 C--N 1.348 1.227 0 N-CA-C 111.807 -0.517 . . . . 71.44 111.807 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -77.08 140.76 66.55 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 123.593 0.757 . . . . 71.31 111.549 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HA ' HD22 ' A' ' 7' ' ' ASN . 51.0 Cg_exo -57.24 -31.7 91.47 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.14 2.56 . . . . 73.3 113.726 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.692 ' HA ' HD12 ' A' ' 8' ' ' ILE . 31.1 t70 -60.61 -33.38 72.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.926 0.89 . . . . 73.31 111.968 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.33 -39.57 74.67 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 72.4 110.602 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.441 HD22 ' HA ' ' A' ' 4' ' ' PRO . 32.8 m-80 -63.43 -36.47 83.85 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.96 0.504 . . . . 54.1 110.652 175.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 5' ' ' ASP . 97.1 mt -60.04 -43.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.222 1.009 . . . . 73.04 111.339 177.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.24 71.43 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.045 0.538 . . . . 61.2 111.069 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.17 -41.6 76.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.454 0.701 . . . . 61.13 110.795 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -73.12 -26.98 61.43 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.895 0.478 . . . . 75.44 111.518 -178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -75.46 -33.56 60.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.164 0.585 . . . . 75.53 110.178 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -71.11 -36.13 72.05 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.089 0.556 . . . . 72.51 109.589 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.43 -31.35 65.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.706 0.802 . . . . 44.41 110.614 174.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -69.56 -39.43 77.4 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.723 1.209 . . . . 74.12 110.743 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mmtm -66.92 -46.2 75.55 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.573 -0.739 . . . . 74.13 110.122 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 58.8 tptt -59.33 -44.95 92.55 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.1 0.875 . . . . 73.21 109.84 176.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.5 75.65 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.685 1.194 . . . . 64.1 111.792 177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -67.72 -40.22 84.25 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.317 1.047 . . . . 74.4 110.137 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 65.1 mt-10 -64.62 -34.8 79.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.646 0.778 . . . . 44.41 110.996 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 17' ' ' LYS . 82.4 mt -80.5 -11.73 59.63 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.544 0.737 . . . . 73.32 111.251 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.24 29.27 13.86 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.761 1.224 . . . . 74.42 110.142 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -105.41 94.13 5.05 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.225 1.01 . . . . 52.33 108.702 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.1 89.05 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.835 -1.075 . . . . 71.4 113.822 -174.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.13 -33.64 69.38 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.132 0.573 . . . . 73.54 110.84 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.67 -37.59 62.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.73 0.812 . . . . 72.14 111.066 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.7 mtm -66.85 -54.85 18.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.228 0.611 . . . . 72.22 110.945 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.3 -38.09 94.08 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.424 -0.807 . . . . 62.25 112.275 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -63.57 -38.8 92.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.321 0.648 . . . . 61.12 110.3 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.19 88.9 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 123.704 0.802 . . . . 55.43 110.834 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 94.9 mt -64.25 -37.22 86.7 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.991 0.807 . . . . 63.52 110.78 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 85.7 t80 -62.83 -40.64 98.03 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.647 0.779 . . . . 75.54 109.918 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -64.01 -43.78 94.62 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.208 0.603 . . . . 73.12 111.167 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.72 -38.17 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 52.23 110.28 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 -36.91 93.67 Favored Glycine 0 C--N 1.343 0.972 0 CA-C-N 115.306 -0.861 . . . . 54.25 112.263 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 32' ' ' TYR . 93.3 mt -69.14 -32.81 72.43 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.608 0.763 . . . . 73.44 110.878 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.57 -37.21 68.27 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.054 0.454 . . . . 75.24 110.892 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 6.1 mptp? -66.47 -39.62 88.9 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.456 0.702 . . . . 65.14 109.901 173.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -61.92 -44.74 96.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.475 1.11 . . . . 62.01 110.757 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.07 -17.68 61.39 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 122.731 0.412 . . . . 74.4 111.966 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.8 mtm -90.07 -6.04 55.92 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.129 0.572 . . . . 75.32 111.783 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.62 6.08 89.56 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 116.598 -0.274 . . . . 23.11 113.121 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -85.77 60.6 6.33 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.868 0.842 . . . . 62.4 109.021 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.6 -26.72 40.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 114.459 -1.246 . . . . 74.11 110.484 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -49.73 -55.88 12.3 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.705 1.202 . . . . 71.43 111.11 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 36.6 mt-10 -75.62 -37.34 59.83 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.744 -1.116 . . . . 72.24 111.113 -177.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.65 -44.52 69.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.801 0.84 . . . . 72.21 110.877 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.455 HD11 HG21 ' A' ' 81' ' ' VAL . 79.0 mt -55.07 -51.21 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 124.563 1.164 . . . . 45.53 111.51 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.97 -43.86 73.86 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 124.072 0.858 . . . . 72.02 110.686 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.443 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 67.4 m-85 -69.23 -39.67 78.4 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.315 -0.857 . . . . 72.43 112.031 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -69.74 -28.66 65.98 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 123.413 0.446 . . . . 70.22 111.125 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.02 -45.93 54.89 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.429 0.691 . . . . 72.44 110.028 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 57' ' ' VAL . 99.0 mtt180 -67.9 -36.67 80.61 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.072 -0.967 . . . . 75.24 110.532 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.92 -50.81 69.38 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 72.41 110.398 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -59.13 -42.55 90.9 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 124.909 1.381 . . . . 73.22 110.788 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -57.87 -39.55 78.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.435 1.094 . . . . 64.3 110.877 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 53' ' ' ARG . 40.8 t -75.94 -37.12 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 115.521 -0.763 . . . . 45.11 110.629 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -65.58 -28.15 68.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.725 0.41 . . . . 74.53 111.074 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -67.86 -38.19 82.79 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.347 0.659 . . . . 71.3 110.29 173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.7 -32.4 67.77 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.033 0.933 . . . . 62.32 111.424 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -78.58 -13.99 59.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.062 0.945 . . . . 75.3 111.405 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.6 m170 67.54 20.07 9.81 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.969 1.307 . . . . 70.4 111.84 -175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -83.26 82.62 8.19 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 108.584 -0.895 . . . . 74.14 108.584 168.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -65.49 -27.65 68.64 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.35 -0.386 . . . . 63.34 110.452 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.96 -49.85 68.72 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.014 0.926 . . . . 75.54 110.489 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.08 -32.46 82.47 Favored Glycine 0 C--N 1.347 1.177 0 CA-C-N 115.414 -0.812 . . . . 54.11 112.986 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.09 71.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.022 0.929 . . . . 22.2 111.269 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -72.37 -30.63 64.87 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.792 0.837 . . . . 75.13 110.331 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -66.05 -42.64 89.24 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.716 0.806 . . . . 74.13 110.349 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.68 87.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.746 -0.661 . . . . 55.41 110.478 175.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HA ' HD12 ' A' ' 74' ' ' LEU . . . -69.67 -27.91 65.43 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.784 0.834 . . . . 73.51 111.643 176.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -70.81 -44.57 66.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.403 0.681 . . . . 71.12 110.172 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.3 m -61.53 -34.75 76.07 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.261 0.624 . . . . 74.54 110.951 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 71' ' ' ALA . 49.6 mt -64.47 -44.49 90.91 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.127 0.971 . . . . 75.34 111.211 171.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.4 t -61.29 -33.94 74.39 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.894 0.878 . . . . 60.4 111.336 -177.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.07 -38.31 57.21 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.608 0.763 . . . . 74.43 110.487 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.71 -46.48 65.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.123 0.969 . . . . 74.51 112.281 -172.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -60.49 -30.85 69.96 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.403 1.081 . . . . 74.34 112.655 -175.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -60.92 -42.11 97.46 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.607 0.763 . . . . 61.41 110.234 176.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -76.24 -28.35 57.1 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.585 1.154 . . . . 72.24 111.788 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.455 HG21 HD11 ' A' ' 48' ' ' ILE . 64.5 t -63.3 -34.95 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.58 0.752 . . . . 75.52 110.706 175.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -82.86 67.55 8.98 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.329 -0.85 . . . . 74.33 110.018 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.29 40.97 3.06 Favored Glycine 0 C--N 1.348 1.202 0 CA-C-N 116.2 -0.455 . . . . 53.41 112.238 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.3 p -76.88 161.65 28.25 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.965 0.906 . . . . 61.34 111.117 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.21 -60.97 4.65 Favored Glycine 0 C--N 1.343 0.967 0 N-CA-C 110.894 -0.882 . . . . 74.32 110.894 -175.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.26 110.16 3.4 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.513 0.725 . . . . 73.3 109.131 171.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -82.24 112.71 19.49 Favored 'General case' 0 C--O 1.242 0.695 0 N-CA-C 109.133 -0.692 . . . . 63.11 109.133 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.49 127.02 10.34 Favored Glycine 0 C--N 1.344 0.974 0 N-CA-C 110.962 -0.855 . . . . 62.34 110.962 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -75.38 110.58 9.85 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.276 0.63 . . . . 75.12 109.856 -177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.1 pt -77.71 7.23 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.208 1.003 . . . . 45.01 111.771 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -69.93 89.99 0.61 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.103 0.961 . . . . 74.24 109.57 172.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -113.66 17.93 17.86 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.843 1.257 . . . . 52.43 111.134 -175.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 tttp 65.56 83.57 0.17 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.401 1.08 . . . . 71.32 109.487 -174.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -76.6 80.98 3.26 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.45 0.7 . . . . 71.44 109.383 -178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.15 114.39 4.29 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 115.594 -0.73 . . . . 63.4 112.953 -175.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -117.4 25.42 10.46 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.231 1.012 . . . . 73.11 110.712 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.5 m -79.11 6.94 8.34 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.587 0.755 . . . . 53.31 112.752 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 37.8 pt -107.32 147.53 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.296 0.638 . . . . 70.35 110.831 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 pp -100.42 -7.03 24.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.068 0.947 . . . . 64.23 110.777 171.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 . . . . . 0 C--O 1.248 1.004 0 C-N-CA 124.122 0.969 . . . . 71.01 110.771 176.165 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.867 0 N-CA-C 111.642 -0.583 . . . . 70.01 111.642 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.7 -169.73 39.78 Favored Glycine 0 C--N 1.342 0.898 0 N-CA-C 111.665 -0.574 . . . . 73.41 111.665 176.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -60.03 137.06 90.93 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 118.451 -0.785 . . . . 72.13 110.015 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.458 ' HB2' ' SD ' ' A' ' 41' ' ' MET . 54.3 Cg_exo -53.91 -42.82 63.49 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.926 2.417 . . . . 62.31 114.896 -173.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 8' ' ' ILE . 40.8 m-20 -73.59 -24.41 60.06 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.655 0.382 . . . . 73.23 111.738 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.87 -39.38 72.92 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.569 0.748 . . . . 72.12 109.63 171.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -64.72 -35.58 81.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.514 0.725 . . . . 74.21 109.78 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 5' ' ' ASP . 96.0 mt -61.61 -46.26 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.198 0.999 . . . . 73.11 110.865 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.34 66.08 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.733 0.646 . . . . 71.14 111.192 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.48 -39.12 54.07 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.03 0.932 . . . . 72.43 110.937 175.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -65.78 -32.34 73.81 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.359 0.664 . . . . 41.53 111.081 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 15' ' ' TYR . 65.1 mt-10 -67.54 -28.04 67.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.681 0.792 . . . . 61.33 111.075 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.2 -48.07 74.67 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.0 0.52 . . . . 73.42 109.92 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.61 75.55 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.296 -0.865 . . . . 64.03 110.806 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.45 ' HB3' ' HA ' ' A' ' 12' ' ' GLU . 46.9 t80 -69.83 -40.75 75.68 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 124.194 0.998 . . . . 74.04 112.098 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.3 mmmm -72.48 -30.35 64.46 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 117.616 0.189 . . . . 64.55 110.541 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -32.24 64.08 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 109.087 -0.709 . . . . 74.11 109.087 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.24 80.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.833 0.853 . . . . 65.13 110.796 173.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 37.9 tt0 -76.1 -37.37 58.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.928 1.291 . . . . 71.42 111.639 -171.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.18 -33.64 76.49 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.974 0.416 . . . . 61.15 110.625 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.7 mt -89.51 -11.19 43.62 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.732 0.813 . . . . 72.41 110.818 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 66.42 22.04 10.78 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 126.007 1.723 . . . . 61.4 111.959 175.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' ' 26' ' ' LEU . 78.6 mt-30 -79.98 99.36 7.59 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 109.192 -0.67 . . . . 62.32 109.192 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.91 -27.17 73.27 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 114.773 -1.103 . . . . 65.41 114.199 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.61 -37.97 74.15 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.693 0.397 . . . . 73.51 110.206 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 23' ' ' GLN . 90.3 mt -75.42 -48.05 24.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.456 1.102 . . . . 73.22 110.859 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.473 ' SD ' ' HA ' ' A' ' 19' ' ' GLU . 46.4 mtm -64.37 -38.12 89.92 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.753 0.658 . . . . 72.4 112.043 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.14 97.95 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.915 0.76 . . . . 74.25 111.906 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -62.81 -41.23 99.22 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.488 0.715 . . . . 74.24 110.409 176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.1 -52.32 63.12 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.547 0.739 . . . . 34.14 111.152 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 85.3 mt -66.07 -31.34 72.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 63.2 111.143 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.7 -46.94 83.19 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.749 0.819 . . . . 72.41 110.119 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 55.4 m-80 -70.25 -34.67 73.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.945 0.498 . . . . 70.51 111.989 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.68 -43.57 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 N-CA-C 109.017 -0.735 . . . . 72.23 109.017 173.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.48 -45.62 95.25 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 114.843 -1.071 . . . . 43.12 112.321 176.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.54 -36.31 73.66 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.817 0.847 . . . . 75.44 111.782 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 20.4 mm-40 -65.21 -48.52 73.1 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.694 0.621 . . . . 54.54 110.439 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 3.3 mptp? -60.5 -40.96 93.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.733 0.413 . . . . 71.23 110.873 175.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.99 -45.87 90.34 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.443 1.097 . . . . 62.34 111.254 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 37' ' ' GLU . 60.4 pttt -74.45 -25.67 59.56 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.681 -0.69 . . . . 71.11 111.376 -178.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.467 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 76.3 mtm -76.74 -17.68 58.93 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.018 0.527 . . . . 62.2 111.983 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.86 65.43 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 112.095 -0.402 . . . . 35.3 112.095 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 85.5 mttt -88.37 52.14 2.37 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.207 1.003 . . . . 51.11 108.391 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.1 -23.83 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 114.245 -1.343 . . . . 75.41 111.706 -164.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -55.5 -50.73 69.16 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.386 0.674 . . . . 73.44 110.773 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . 2.5 mp0 -67.0 -37.28 83.91 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.848 -0.614 . . . . 75.33 110.751 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.35 -46.9 76.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.057 0.943 . . . . 74.03 111.487 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 81' ' ' VAL . 85.3 mt -52.47 -50.57 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 125.086 1.491 . . . . 74.35 110.919 176.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 52' ' ' LEU . 42.5 mt-10 -60.16 -38.36 82.92 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.287 0.992 . . . . 70.22 111.15 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 50.1 m-85 -73.91 -34.03 64.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.327 0.651 . . . . 63.51 112.541 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -70.24 -28.71 65.47 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 110.137 -0.319 . . . . 73.35 110.137 174.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 49' ' ' GLU . 83.4 mt -69.57 -43.95 71.83 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.491 0.717 . . . . 71.15 109.752 177.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 57' ' ' VAL . 86.7 mtt180 -60.96 -51.39 69.45 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.953 0.783 . . . . 63.3 109.321 174.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.31 76.94 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.569 1.168 . . . . 65.51 111.292 -176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -62.48 -41.7 98.98 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.31 1.006 . . . . 73.34 111.026 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -63.19 -42.32 99.33 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.76 0.824 . . . . 54.53 111.373 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 53' ' ' ARG . 96.0 t -72.0 -35.3 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.019 0.528 . . . . 63.52 110.056 -175.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -69.15 -36.11 77.07 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.125 0.57 . . . . 74.12 110.401 171.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.4 -41.68 98.75 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.199 0.6 . . . . 72.44 110.278 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.8 81.75 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.949 -1.023 . . . . 60.12 111.096 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -86.2 -1.95 57.92 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.621 0.768 . . . . 72.33 112.245 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 58.79 25.94 14.12 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.348 1.059 . . . . 73.01 111.737 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -80.47 90.92 5.68 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 107.795 -1.187 . . . . 34.21 107.795 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 9.8 t -59.54 -41.17 89.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.649 -1.16 . . . . 71.04 111.274 -174.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.86 -58.48 7.69 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.697 0.799 . . . . 74.21 110.986 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.15 -30.91 76.3 Favored Glycine 0 C--N 1.343 0.918 0 O-C-N 124.193 0.933 . . . . 73.44 113.611 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.78 93.14 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.349 0.575 . . . . 61.13 110.628 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD3' ' O ' ' A' ' 64' ' ' THR . 9.4 mpt_? -74.31 -32.28 62.8 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.543 -0.753 . . . . 75.45 110.619 177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 -75.17 -33.56 61.48 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.964 0.905 . . . . 70.12 111.35 -176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.61 -36.22 73.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.886 0.474 . . . . 43.21 110.034 174.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.79 -27.82 62.22 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.896 0.748 . . . . 45.43 111.361 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -67.96 -48.23 66.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.476 0.71 . . . . 53.04 109.577 175.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.3 t -67.29 -29.93 69.65 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.23 -0.895 . . . . 62.12 110.432 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.85 -43.51 98.24 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.713 0.805 . . . . 72.03 111.588 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 49.1 m -61.54 -44.3 97.29 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.486 0.315 . . . . 72.12 110.289 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.32 -31.14 72.21 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.085 0.866 . . . . 73.34 111.03 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.66 -45.75 61.04 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.891 0.876 . . . . 74.01 111.449 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -67.46 -23.76 65.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.176 0.591 . . . . 73.31 111.699 -177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 75' ' ' SER . 97.0 mt-30 -60.45 -38.94 85.79 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.407 0.623 . . . . 61.21 110.917 172.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -80.73 -32.62 35.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.015 -0.993 . . . . 71.43 110.856 -173.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.411 HG21 HD11 ' A' ' 48' ' ' ILE . 88.8 t -78.99 -59.76 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.755 0.822 . . . . 61.44 110.768 -178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.36 142.05 56.89 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 123.585 0.553 . . . . 75.42 110.607 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.82 65.42 3.93 Favored Glycine 0 C--N 1.345 1.033 0 O-C-N 123.578 0.549 . . . . 75.42 111.951 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.7 m -82.97 96.88 8.45 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.367 -0.975 . . . . 71.41 108.367 177.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.81 156.86 21.58 Favored Glycine 0 C--N 1.347 1.158 0 N-CA-C 111.739 -0.545 . . . . 40.34 111.739 -171.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -67.23 111.54 4.02 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.562 -0.532 . . . . 63.45 109.562 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -114.38 129.54 56.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.944 0.897 . . . . 72.04 108.917 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -86.0 58.47 4.77 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-O 120.108 -0.273 . . . . 74.31 112.603 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.63 104.57 2.42 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 121.704 0.764 . . . . 52.22 109.079 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.439 ' H ' HG12 ' A' ' 90' ' ' ILE . 8.1 pt -81.0 120.87 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 114.641 -1.163 . . . . 71.44 111.258 -170.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -110.3 135.56 50.85 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.7 1.2 . . . . 75.51 109.658 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 58.78 21.75 9.32 Favored 'General case' 0 N--CA 1.498 1.972 0 C-N-CA 124.918 1.287 . . . . 60.15 111.39 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -155.38 111.06 3.08 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 106.332 -1.729 . . . . 65.22 106.332 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -82.17 -12.09 58.34 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.794 0.437 . . . . 71.42 110.821 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.14 139.83 4.3 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 123.487 0.492 . . . . 72.25 112.655 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -71.56 123.59 22.8 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.296 -1.002 . . . . 73.44 108.296 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.8 m -64.05 93.98 0.1 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.439 0.695 . . . . 63.34 111.034 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 45.1 pt -120.58 159.38 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.866 0.866 . . . . 73.04 109.467 176.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mp 65.4 90.97 0.09 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.441 1.096 . . . . 73.32 110.194 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.092 0 C-N-CA 123.513 0.725 . . . . 72.35 109.355 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 120.072 -0.293 . . . . 53.24 112.54 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.58 -161.12 51.23 Favored Glycine 0 C--N 1.345 1.063 0 CA-C-N 116.608 0.204 . . . . 62.33 112.704 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p -79.58 160.33 70.01 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 123.298 0.639 . . . . 52.32 110.393 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.06 -32.1 85.21 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 122.333 2.022 . . . . 73.33 111.983 169.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -66.89 -38.75 86.87 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.237 1.015 . . . . 74.42 111.06 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.05 -38.7 89.02 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.752 -0.832 . . . . 62.32 108.752 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -62.13 -44.24 97.07 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.299 1.04 . . . . 62.15 111.159 175.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 34' ' ' ILE . 71.1 mt -53.22 -49.64 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 123.884 0.874 . . . . 74.04 111.054 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -32.4 73.91 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.971 0.794 . . . . 72.01 111.569 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -69.95 -40.25 75.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.799 0.84 . . . . 73.23 110.781 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -76.12 -25.67 55.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.104 0.961 . . . . 72.33 110.607 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 tm-20 -74.4 -38.48 63.09 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 108.627 -0.879 . . . . 74.04 108.627 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -64.34 -45.38 88.08 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 108.464 -0.939 . . . . 64.41 108.464 172.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.89 70.06 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.566 0.746 . . . . 52.2 110.954 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -68.99 -42.93 75.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 55.35 110.441 174.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 31.8 mmmt -68.43 -35.86 78.22 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.658 0.598 . . . . 60.12 111.193 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -67.68 -43.68 79.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 50.53 109.943 174.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.83 72.52 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.321 -1.309 . . . . 63.32 111.32 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.72 -31.03 63.19 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.202 1.401 . . . . 74.14 110.774 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 15.8 mm-40 -68.56 -38.43 80.74 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.3 0.64 . . . . 71.34 110.465 173.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.78 -14.64 57.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.175 -0.92 . . . . 75.14 110.82 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 60.47 22.21 11.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 125.299 1.44 . . . . 53.3 112.078 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -84.72 110.69 18.96 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 123.302 0.641 . . . . 72.54 110.288 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.6 -26.6 69.91 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 124.164 0.915 . . . . 74.13 114.028 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' HA ' ' HE1' ' A' ' 58' ' ' PHE . 21.6 tt0 -59.1 -53.82 54.06 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.606 0.763 . . . . 71.03 109.786 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.62 -43.73 75.75 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.931 -1.031 . . . . 74.13 111.391 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.4 mtm -68.31 -42.3 79.61 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.892 0.477 . . . . 72.0 111.607 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.94 -46.51 93.42 Favored Glycine 0 C--N 1.346 1.106 0 CA-C-N 115.596 -0.729 . . . . 44.01 112.006 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.6 -36.21 80.05 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.224 0.609 . . . . 71.34 111.407 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.03 71.1 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.277 0.631 . . . . 52.14 110.921 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.76 -33.56 76.15 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.045 0.841 . . . . 73.1 110.896 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.31 -47.6 78.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.881 0.872 . . . . 72.14 110.462 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 33.2 m-80 -66.33 -40.91 90.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.336 0.654 . . . . 73.44 111.473 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 8' ' ' ILE . 91.6 mt -58.3 -41.08 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 123.779 0.674 . . . . 64.52 110.178 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.93 -39.51 98.14 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.284 -0.871 . . . . 70.51 112.722 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -39.94 96.1 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.534 0.734 . . . . 62.05 111.021 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 16.8 mm-40 -70.11 -38.0 75.49 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.605 -0.725 . . . . 54.23 110.809 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' HD13 ' A' ' 8' ' ' ILE . 71.2 mmtt -62.13 -44.42 96.67 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.978 0.418 . . . . 63.33 110.188 172.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -67.95 -35.67 78.8 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.128 -0.942 . . . . 64.54 111.262 -170.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.9 -25.16 59.87 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.249 0.343 . . . . 53.4 111.069 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 77.8 mtm -86.28 3.37 43.53 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.425 0.69 . . . . 73.1 112.052 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.34 2.14 90.36 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.025 0.203 . . . . 74.12 113.318 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -88.91 53.42 2.69 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.466 1.106 . . . . 71.21 108.735 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.83 -23.72 24.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 114.464 -1.243 . . . . 62.25 110.15 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.701 ' H ' ' HD2' ' A' ' 45' ' ' LYS . 2.8 mptp? -63.99 -42.84 97.08 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.429 1.092 . . . . 72.35 109.737 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.52 -40.07 61.98 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.87 -1.059 . . . . 55.11 110.152 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.05 -39.93 79.66 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.319 1.048 . . . . 53.33 111.959 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -53.57 -50.69 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 124.603 1.189 . . . . 61.41 110.441 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -63.88 -38.62 91.78 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.82 0.7 . . . . 75.34 110.813 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.78 -37.19 86.78 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.13 0.572 . . . . 73.23 112.334 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -76.03 -28.47 57.73 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.769 0.427 . . . . 73.24 110.476 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.0 mt -68.11 -41.7 81.35 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.466 -0.568 . . . . 75.34 109.466 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 57' ' ' VAL . 73.4 mtt180 -75.26 -39.12 60.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.159 0.984 . . . . 71.01 110.326 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.18 -49.86 75.49 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.742 0.651 . . . . 63.35 109.993 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 70' ' ' ALA . 54.7 tttp -59.68 -45.77 91.06 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.433 1.083 . . . . 72.13 110.084 175.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.85 -39.27 71.22 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.562 1.163 . . . . 73.21 112.134 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 53' ' ' ARG . 49.6 t -64.02 -55.99 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 109.211 -0.663 . . . . 75.31 109.211 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HE1' ' HA ' ' A' ' 25' ' ' GLU . 61.3 m-85 -63.15 -30.45 71.6 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.398 0.679 . . . . 73.43 112.205 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -76.34 -36.57 58.17 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.072 0.949 . . . . 75.15 109.444 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.28 -30.54 57.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.451 -0.795 . . . . 72.13 111.026 175.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 16.9 mm-40 -78.23 -14.11 59.58 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.142 0.577 . . . . 61.11 110.578 172.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.8 m80 62.36 30.04 17.34 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.011 1.324 . . . . 75.01 111.991 -176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.58 93.99 6.82 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.065 -1.457 . . . . 62.23 107.065 164.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 5.8 t -63.99 -36.96 85.69 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.945 -1.025 . . . . 75.31 111.766 -172.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 15.3 m-20 -66.17 -41.59 90.12 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.139 0.576 . . . . 64.22 111.08 -176.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.39 -40.23 87.07 Favored Glycine 0 C--N 1.344 0.976 0 O-C-N 123.772 0.67 . . . . 54.04 112.471 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.84 79.89 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.965 -0.618 . . . . 54.05 110.432 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 64' ' ' THR . 79.7 mtp180 -70.91 -32.42 69.36 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.084 0.954 . . . . 74.52 111.707 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 68.6 mtt-85 -57.25 -54.03 51.44 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 109.213 -0.662 . . . . 75.24 109.213 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 55' ' ' LYS . . . -75.98 -33.82 59.75 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.061 -1.427 . . . . 72.1 111.954 -174.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -35.99 63.5 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 122.759 0.424 . . . . 74.11 111.352 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -65.26 -45.73 83.37 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.224 -0.658 . . . . 34.11 109.224 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 t -66.01 -28.39 68.84 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.648 -1.16 . . . . 72.3 110.871 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.55 -47.19 56.65 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.642 0.777 . . . . 71.33 110.806 174.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -57.4 -45.49 84.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.632 0.773 . . . . 72.31 110.878 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.46 -28.28 60.96 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.444 -0.798 . . . . 73.45 111.349 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.47 74.2 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.454 0.701 . . . . 74.33 110.926 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.412 ' O ' ' HG3' ' A' ' 82' ' ' GLU . 41.9 m-85 -62.92 -39.1 93.53 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.07 0.548 . . . . 63.24 110.059 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -58.88 -29.61 67.13 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.526 0.73 . . . . 75.13 111.9 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.77 -29.04 50.72 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.509 0.723 . . . . 72.33 111.346 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.6 -18.03 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 C-N-CA 124.216 1.006 . . . . 73.33 111.649 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 78' ' ' TYR . 53.2 mt-10 -75.33 104.11 5.76 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.967 0.507 . . . . 74.12 110.145 -178.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.64 162.11 30.17 Favored Glycine 0 C--O 1.244 0.731 0 CA-C-N 115.278 -0.873 . . . . 71.22 111.034 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.1 m -57.2 108.33 0.52 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.909 0.884 . . . . 64.11 112.151 -173.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.2 -42.2 1.23 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 111.223 -0.751 . . . . 63.2 111.223 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -119.76 109.22 15.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.726 0.81 . . . . 64.31 110.551 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -109.4 -37.55 5.71 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.402 1.081 . . . . 73.32 109.508 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.42 -178.37 42.92 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 115.837 -0.619 . . . . 64.12 113.196 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -97.96 111.83 23.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.851 0.86 . . . . 62.41 109.921 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mp -89.21 108.79 19.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.51 0.724 . . . . 54.25 109.336 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -106.67 116.52 32.07 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.154 0.981 . . . . 74.41 108.883 176.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -155.95 93.85 1.48 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.715 0.806 . . . . 74.55 108.923 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -81.37 153.42 27.0 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 115.827 -0.624 . . . . 75.03 111.243 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -75.72 124.14 26.77 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.845 -0.798 . . . . 73.3 108.845 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.23 65.22 0.23 Allowed Glycine 0 C--N 1.334 0.437 0 N-CA-C 111.385 -0.686 . . . . 64.22 111.385 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.74 148.56 25.37 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.117 0.967 . . . . 64.23 109.618 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 m -65.26 102.22 0.64 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.33 0.652 . . . . 75.2 110.595 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.4 tt -68.25 121.53 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 123.766 0.666 . . . . 61.45 109.445 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 pp -76.94 142.36 40.09 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.344 -0.613 . . . . 53.45 109.344 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--O 1.248 0.984 0 N-CA-C 108.954 -0.758 . . . . 71.14 108.954 177.773 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.994 0 N-CA-C 112.247 -0.341 . . . . 71.12 112.247 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.83 -138.58 10.25 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 111.474 -0.65 . . . . 40.35 111.474 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.586 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 16.2 m -65.56 154.03 89.13 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 118.042 -0.98 . . . . 64.51 109.695 173.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.492 ' O ' HG13 ' A' ' 8' ' ' ILE . 10.3 Cg_endo -51.11 -37.28 57.71 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.438 2.092 . . . . 71.32 112.764 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 8' ' ' ILE . 37.5 t70 -67.26 -38.1 84.57 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.737 0.815 . . . . 74.32 111.757 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HG2' ' HB2' ' A' ' 3' ' ' SER . 20.9 mm-40 -69.58 -36.14 76.0 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.761 0.424 . . . . 62.13 110.706 178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -66.56 -36.04 81.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.037 0.935 . . . . 61.42 110.638 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 5' ' ' ASP . 95.5 mt -53.04 -47.06 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.626 0.771 . . . . 73.21 110.365 174.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.8 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.357 1.036 . . . . 60.5 112.255 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -69.46 -45.24 69.53 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.666 0.386 . . . . 74.55 110.382 175.229 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -70.41 -25.59 63.3 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.561 0.744 . . . . 61.45 110.898 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.68 -42.33 74.28 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.244 1.018 . . . . 72.43 108.999 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.87 -37.6 84.73 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.072 -0.513 . . . . 74.33 110.354 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.96 67.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 115.855 -0.611 . . . . 71.33 111.363 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -67.78 -47.17 69.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.943 0.897 . . . . 75.51 109.884 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 29.0 mmmt -64.39 -43.02 95.78 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.35 1.032 . . . . 75.1 111.265 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.536 ' HE3' HD11 ' A' ' 21' ' ' LEU . 54.6 tptt -57.74 -45.72 85.44 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.158 0.911 . . . . 71.42 110.434 176.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.64 96.49 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.355 -0.839 . . . . 62.0 111.517 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG2' ' SD ' ' A' ' 27' ' ' MET . 2.4 tm-20 -64.91 -40.98 95.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.998 0.919 . . . . 74.03 110.296 -173.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 25.6 mm-40 -68.31 -29.41 68.17 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.635 -0.711 . . . . 74.2 111.155 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD11 ' HE3' ' A' ' 17' ' ' LYS . 94.0 mt -87.2 -9.1 56.03 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.501 0.72 . . . . 70.32 112.149 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.37 27.53 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.988 1.315 . . . . 75.12 111.942 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -85.77 98.0 10.49 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.503 0.721 . . . . 72.35 109.981 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.48 -46.96 86.88 Favored Glycine 0 C--N 1.343 0.954 0 O-C-N 124.122 0.889 . . . . 54.31 112.338 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.45 ' HG3' HD12 ' A' ' 26' ' ' LEU . 6.7 pt-20 -52.62 -51.66 58.99 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.608 0.763 . . . . 73.41 111.764 -174.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.45 HD12 ' HG3' ' A' ' 25' ' ' GLU . 1.4 mp -71.37 -27.65 63.49 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.793 0.437 . . . . 60.4 111.886 -176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.41 ' SD ' ' HG2' ' A' ' 19' ' ' GLU . 39.0 mtm -69.33 -44.59 71.36 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.23 0.331 . . . . 65.5 110.592 176.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.84 -42.87 99.6 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.805 0.69 . . . . 52.34 111.509 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.86 -45.01 96.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 74.13 110.322 175.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.46 -51.88 67.97 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.886 0.875 . . . . 54.13 111.547 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 95.0 mt -64.41 -34.69 78.76 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.974 0.796 . . . . 35.41 111.332 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 43.3 t80 -63.0 -49.8 73.23 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 123.748 0.655 . . . . 63.41 109.913 177.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 68.4 m-80 -65.88 -39.23 90.48 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.798 0.686 . . . . 65.44 111.185 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.63 HG23 HG23 ' A' ' 8' ' ' ILE . 75.2 mt -60.1 -46.84 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.573 0.749 . . . . 75.42 109.865 175.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.35 94.07 Favored Glycine 0 C--N 1.348 1.216 0 O-C-N 124.369 1.043 . . . . 71.14 112.062 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 96.3 mt -60.99 -43.62 98.58 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.046 0.538 . . . . 65.1 110.315 175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 14.0 mm-40 -72.43 -28.07 62.73 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.826 0.704 . . . . 73.43 112.165 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HE3' ' CE2' ' A' ' 50' ' ' TYR . 5.9 mptp? -62.94 -48.02 80.69 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.067 -0.716 . . . . 75.3 109.067 168.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -64.15 -29.04 70.19 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 114.424 -1.262 . . . . 33.12 110.964 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 36' ' ' LEU . 34.5 mmtp -66.21 -40.0 90.05 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.659 0.784 . . . . 71.21 110.733 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.8 mtm -81.23 -2.04 47.22 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.223 -0.899 . . . . 71.01 111.285 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.5 4.36 90.08 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-O 119.823 -0.432 . . . . 74.13 112.656 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -83.23 68.38 9.6 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 122.319 1.056 . . . . 75.21 109.165 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.58 -25.76 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 113.882 -1.508 . . . . 74.35 111.492 -169.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -40.02 80.64 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.037 0.535 . . . . 73.43 110.278 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.99 -41.9 77.21 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.67 0.606 . . . . 71.03 109.681 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.36 69.62 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.365 1.041 . . . . 72.43 111.154 -178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.8 mt -52.05 -52.05 26.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.946 1.298 . . . . 71.45 110.821 174.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -59.06 -41.88 88.98 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.921 0.763 . . . . 73.45 111.857 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 63.7 m-85 -71.55 -34.19 69.79 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 115.793 -0.64 . . . . 75.33 111.656 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.39 -28.43 62.01 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.392 0.433 . . . . 62.5 110.345 176.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.6 mt -68.34 -50.09 55.74 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.17 -0.678 . . . . 74.11 109.17 178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 57' ' ' VAL . 79.1 mtp180 -63.14 -48.88 76.59 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.684 -1.144 . . . . 75.24 110.365 178.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.03 75.49 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.141 0.977 . . . . 65.51 111.536 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.05 -46.47 82.42 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.57 1.169 . . . . 63.01 110.725 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -65.43 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.348 1.03 . . . . 73.11 111.036 -177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' ARG . 85.7 t -72.18 -36.71 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.907 0.483 . . . . 64.2 110.212 174.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.77 -30.47 69.92 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.605 0.362 . . . . 64.23 110.726 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -70.16 -34.42 72.99 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.207 0.603 . . . . 72.23 110.179 174.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.03 72.73 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.36 0.664 . . . . 73.34 110.681 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -78.98 -14.57 59.12 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.314 0.646 . . . . 73.41 111.163 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.7 m80 64.69 21.09 12.33 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.199 1.4 . . . . 74.4 111.839 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.91 102.64 11.81 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.629 1.172 . . . . 73.12 109.212 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.4 t -68.27 -38.99 82.28 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.039 0.536 . . . . 53.01 111.804 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -59.93 -50.18 74.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.661 0.784 . . . . 64.33 111.077 -175.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.94 -37.17 83.11 Favored Glycine 0 C--N 1.346 1.115 0 O-C-N 124.117 0.886 . . . . 71.12 112.985 -177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.89 90.73 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.64 0.376 . . . . 64.11 111.035 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -69.59 -31.06 68.98 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.606 0.762 . . . . 71.12 111.0 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -74.28 -37.49 63.67 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.564 0.746 . . . . 71.51 110.508 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.68 61.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.355 0.662 . . . . 13.31 110.469 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.33 -29.38 64.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.591 0.756 . . . . 61.33 111.193 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.44 -44.87 61.79 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 122.967 0.507 . . . . 74.31 109.959 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.1 m -63.47 -29.56 70.82 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.476 -0.784 . . . . 73.22 110.654 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.34 -45.54 79.88 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.663 0.785 . . . . 71.22 111.019 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.1 t -58.34 -49.87 75.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.976 0.51 . . . . 75.41 110.179 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -61.79 -36.29 80.67 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.789 0.836 . . . . 74.52 111.69 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.35 79.57 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.128 0.571 . . . . 72.13 111.18 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -65.4 -30.67 71.5 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.571 0.349 . . . . 72.1 111.276 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -68.61 -30.06 68.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.59 0.756 . . . . 75.3 111.36 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -82.19 -26.65 33.18 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.548 0.739 . . . . 61.54 111.583 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.5 -45.29 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.77 0.828 . . . . 63.24 109.548 171.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -82.64 159.96 22.56 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.851 -1.068 . . . . 43.1 110.032 -174.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -77.74 68.7 2.73 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.222 0.439 . . . . 64.12 112.686 176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.8 p -135.19 10.76 3.54 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.95 0.9 . . . . 62.3 111.441 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.16 -63.08 3.59 Favored Glycine 0 C--N 1.342 0.904 0 N-CA-C 111.844 -0.503 . . . . 33.23 111.844 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -159.88 110.47 1.91 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.794 0.838 . . . . 63.3 108.863 175.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -87.13 99.5 11.97 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.785 -0.82 . . . . 72.22 108.785 172.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 171.12 -150.9 14.46 Favored Glycine 0 C--N 1.339 0.713 0 CA-C-N 116.465 -0.334 . . . . 72.5 112.437 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HD2' ' HG3' ' A' ' 92' ' ' GLN . 20.2 pttm -116.71 127.13 54.1 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.005 0.922 . . . . 74.24 109.814 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.2 mm -108.55 125.22 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 124.178 0.991 . . . . 61.24 109.824 -175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 77.0 t80 56.71 85.67 0.08 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.281 1.432 . . . . 75.52 111.111 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.442 ' HG3' ' HD2' ' A' ' 89' ' ' LYS . 31.5 mm-40 -101.67 171.67 7.41 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.111 0.565 . . . . 63.13 110.521 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -92.08 95.64 9.88 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.32 1.048 . . . . 70.14 110.17 -169.569 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.27 157.19 32.79 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 114.64 -1.164 . . . . 74.24 110.436 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.61 77.78 1.4 Allowed Glycine 0 C--N 1.35 1.308 0 N-CA-C 111.296 -0.722 . . . . 73.14 111.296 172.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -83.21 136.8 34.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.305 0.642 . . . . 54.2 110.361 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.1 p -156.07 65.99 0.58 Allowed 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.928 -0.767 . . . . 70.12 108.928 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.2 pt -79.09 142.62 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 115.717 -0.674 . . . . 70.14 110.219 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -146.88 164.75 31.9 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.756 1.222 . . . . 75.32 108.56 -176.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 C--O 1.252 1.194 0 N-CA-C 108.758 -0.83 . . . . 63.03 108.758 -175.877 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 CA-C-O 119.784 -0.453 . . . . 74.33 112.07 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.03 -149.85 16.34 Favored Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.631 -0.588 . . . . 53.33 111.631 172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -72.47 149.68 91.21 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 122.622 0.369 . . . . 70.23 110.821 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -54.75 -32.68 77.42 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.814 2.342 . . . . 75.44 112.665 170.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -61.08 -45.03 96.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.369 1.068 . . . . 73.21 110.747 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.45 -32.87 68.83 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.099 -0.955 . . . . 61.3 110.521 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -67.83 -36.17 79.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.005 0.522 . . . . 63.33 109.913 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.29 -44.39 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.358 1.063 . . . . 62.14 110.639 171.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.77 68.84 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.755 0.822 . . . . 64.23 112.13 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.5 -42.97 86.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.03 0.532 . . . . 63.14 109.916 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -74.25 -25.16 59.47 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.681 0.792 . . . . 74.31 111.43 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.91 -48.2 79.98 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.639 0.775 . . . . 63.11 109.596 172.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.15 -42.33 99.44 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 114.886 -1.052 . . . . 63.21 110.416 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.44 65.83 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.685 0.794 . . . . 54.44 112.248 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.69 -45.4 65.09 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.997 0.919 . . . . 64.32 110.446 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -69.64 -39.97 76.79 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.522 -0.763 . . . . 73.12 110.99 178.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.16 -41.75 98.6 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.958 -1.019 . . . . 72.34 110.355 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.21 77.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.294 -0.866 . . . . 72.02 110.471 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -58.12 -41.23 83.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.525 0.73 . . . . 64.32 111.641 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.29 -41.89 76.64 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.146 0.979 . . . . 53.12 110.447 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' HB2' ' HG2' ' A' ' 23' ' ' GLN . 68.7 mt -89.71 -2.81 58.37 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.014 -0.994 . . . . 52.13 111.665 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 68.57 27.62 6.08 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.999 1.32 . . . . 63.03 111.23 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.551 ' HB3' HD13 ' A' ' 26' ' ' LEU . 20.1 mm-40 -74.22 91.05 2.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.649 1.18 . . . . 65.1 109.984 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.45 -58.74 10.36 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.338 0.399 . . . . 65.33 112.515 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.07 -39.84 63.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.896 0.879 . . . . 74.54 112.035 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 23' ' ' GLN . 5.6 mp -74.61 -28.28 60.82 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.077 0.551 . . . . 73.55 112.179 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.71 -43.03 73.23 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 109.994 -0.373 . . . . 73.3 109.994 171.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.01 -39.18 96.71 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 115.324 -0.853 . . . . 74.31 112.012 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -66.01 -41.44 91.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.497 0.719 . . . . 63.31 110.619 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.33 -48.87 79.15 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.514 0.725 . . . . 44.3 110.735 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.69 -42.7 90.93 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.977 0.911 . . . . 74.13 111.064 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.68 -41.87 91.66 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.411 1.084 . . . . 72.32 110.95 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -68.53 -45.46 72.16 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.465 0.706 . . . . 73.03 110.39 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -59.45 -37.31 69.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.572 . . . . 72.03 110.186 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.08 -45.28 96.25 Favored Glycine 0 C--N 1.345 1.052 0 O-C-N 123.987 0.804 . . . . 64.31 111.971 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.72 -31.42 72.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.341 0.657 . . . . 75.35 111.071 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.559 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 28.7 mm-40 -72.82 -33.17 66.01 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.673 0.389 . . . . 73.01 110.868 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HE3' ' HE2' ' A' ' 50' ' ' TYR . 73.6 mmtt -71.31 -40.9 70.52 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.97 0.508 . . . . 74.32 109.998 173.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.34 -38.48 91.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.594 1.158 . . . . 72.32 110.719 -176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.559 ' HD2' ' HA ' ' A' ' 37' ' ' GLU . 12.1 ptmt -75.36 -23.13 57.14 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.556 0.742 . . . . 74.31 110.944 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 77.1 mtm -92.28 0.24 57.44 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.354 0.661 . . . . 74.33 112.328 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.84 10.8 84.96 Favored Glycine 0 C--N 1.348 1.217 0 N-CA-C 113.492 0.157 . . . . 45.14 113.492 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -92.72 55.37 2.42 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.803 1.241 . . . . 73.43 108.224 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 80' ' ' LYS . 43.4 t -71.83 -25.8 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 114.297 -1.32 . . . . 72.43 112.302 -163.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -67.39 -39.29 85.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.798 0.439 . . . . 64.12 110.096 177.749 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -66.22 -42.54 88.57 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 123.809 0.693 . . . . 61.51 109.71 174.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.6 71.15 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 124.312 1.045 . . . . 63.34 111.11 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.2 mt -52.16 -51.46 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 124.726 1.267 . . . . 73.31 110.886 175.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 36.7 mt-10 -62.16 -40.01 94.54 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.055 0.847 . . . . 64.15 111.039 -174.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.423 ' HE2' ' HE3' ' A' ' 38' ' ' LYS . 63.7 m-85 -69.2 -38.46 78.62 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.198 0.599 . . . . 73.32 111.604 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -71.04 -29.87 65.9 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.388 0.43 . . . . 54.25 110.523 177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.32 -44.88 67.35 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.326 0.65 . . . . 75.55 109.381 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 57' ' ' VAL . 80.5 mtp180 -64.91 -48.7 73.24 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.862 -1.063 . . . . 64.22 110.081 176.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.15 -46.95 79.08 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.187 0.995 . . . . 70.41 111.201 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.92 -38.9 92.8 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.055 1.342 . . . . 73.31 110.837 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -68.73 -31.98 71.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.91 0.884 . . . . 72.12 110.759 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 53' ' ' ARG . 89.3 t -74.42 -41.41 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 122.828 0.451 . . . . 75.32 110.007 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -66.64 -30.08 70.26 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.034 0.534 . . . . 73.12 110.687 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -70.4 -38.02 74.57 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.72 1.208 . . . . 73.14 110.065 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.59 80.69 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.644 -0.707 . . . . 70.34 110.455 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 18.8 mm-40 -71.48 -12.35 61.35 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.785 0.834 . . . . 75.41 110.716 173.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 m80 63.01 25.36 15.0 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 124.848 1.259 . . . . 73.12 111.622 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -96.12 94.21 7.4 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.115 -1.439 . . . . 73.35 107.115 171.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.8 t -60.32 -35.7 76.21 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.032 -0.531 . . . . 72.21 111.407 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.6 -34.38 72.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.467 0.707 . . . . 75.02 111.443 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.6 -40.32 86.03 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.672 -0.571 . . . . 70.21 111.672 175.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.44 88.75 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.328 0.651 . . . . 72.4 110.838 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.06 -28.53 64.44 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.996 0.918 . . . . 72.04 111.17 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.1 -40.25 71.61 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.296 -0.631 . . . . 50.34 109.296 176.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.4 -29.99 69.64 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.864 -0.607 . . . . 54.25 110.481 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 -27.85 62.57 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 123.904 0.882 . . . . 71.23 111.6 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -49.63 63.78 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.254 -0.647 . . . . 73.4 109.254 174.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.0 m -63.4 -30.92 71.96 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.429 -0.805 . . . . 43.12 111.27 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 13.2 mt -67.22 -48.18 68.59 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.657 0.783 . . . . 74.14 111.748 175.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.1 p -63.69 -35.24 79.9 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.481 0.313 . . . . 71.04 110.732 -176.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.71 -43.75 98.0 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.764 0.826 . . . . 64.14 110.192 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.955 -1.021 . . . . 75.42 111.505 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -69.54 -21.71 63.62 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.726 0.81 . . . . 74.14 111.694 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -78.04 -30.79 50.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.822 0.449 . . . . 61.2 111.407 173.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.68 ' HB2' HG11 ' A' ' 44' ' ' VAL . 97.6 mttt -81.6 -25.46 35.71 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.678 0.391 . . . . 73.24 111.087 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -85.63 -48.16 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.345 0.658 . . . . 71.32 109.494 173.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -113.05 100.42 8.6 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 107.735 -1.209 . . . . 65.13 107.735 177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 137.92 62.88 0.05 OUTLIER Glycine 0 N--CA 1.473 1.102 0 N-CA-C 110.328 -1.109 . . . . 44.41 110.328 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.2 p -60.93 109.01 0.95 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.905 1.282 . . . . 71.33 113.092 -172.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.83 92.96 0.06 OUTLIER Glycine 0 C--N 1.354 1.534 0 CA-C-N 115.641 -0.709 . . . . 65.12 113.393 171.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.84 102.75 0.29 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.393 0.677 . . . . 51.41 109.793 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -61.2 127.06 29.68 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.682 0.793 . . . . 55.22 111.108 -173.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.98 -81.48 0.29 Allowed Glycine 0 C--N 1.338 0.66 0 N-CA-C 111.258 -0.737 . . . . 61.21 111.258 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -164.43 156.05 15.9 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.244 0.618 . . . . 73.32 111.202 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.78 80.18 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 107.187 -1.412 . . . . 73.05 107.187 171.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -89.36 92.29 9.08 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 107.784 -1.191 . . . . 62.12 107.784 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -85.41 177.71 7.7 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.462 -0.79 . . . . 75.42 110.932 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -84.23 151.44 24.82 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.217 -0.901 . . . . 74.01 109.438 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.5 111.13 1.91 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.418 1.087 . . . . 63.42 112.13 -174.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.0 -54.97 3.31 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 115.741 -0.663 . . . . 74.31 114.387 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 73.47 -51.28 0.7 Allowed 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 126.071 1.749 . . . . 71.22 111.688 -174.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.7 m -83.1 43.48 0.87 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.092 0.957 . . . . 42.52 111.475 175.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mp 55.91 75.11 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 124.384 1.074 . . . . 74.11 109.297 -174.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 38.5 mt 63.2 -167.15 0.22 Allowed 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 114.483 -1.235 . . . . 74.43 111.387 -176.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 CA--C 1.555 1.141 0 C-N-CA 123.352 0.661 . . . . 62.04 110.404 179.14 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.894 -0.482 . . . . 51.42 111.894 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.96 -145.68 4.21 Favored Glycine 0 C--N 1.343 0.926 0 N-CA-C 111.504 -0.638 . . . . 71.21 111.504 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 p -65.55 163.0 37.5 Favored Pre-proline 0 CA--C 1.561 1.374 0 C-N-CA 124.166 0.987 . . . . 73.1 111.743 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.493 ' O ' HG13 ' A' ' 8' ' ' ILE . 74.5 Cg_exo -52.25 -34.61 60.29 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.53 2.153 . . . . 73.31 112.34 166.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.29 -44.76 80.17 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.476 1.111 . . . . 62.13 111.122 172.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -64.53 -37.95 89.33 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.509 1.124 . . . . 72.05 109.694 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 41.7 m-80 -68.64 -31.26 70.28 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.149 0.58 . . . . 74.31 111.245 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.672 HG23 HG23 ' A' ' 34' ' ' ILE . 80.0 mt -62.03 -43.42 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.233 0.613 . . . . 71.31 110.18 177.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.25 64.05 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.945 0.898 . . . . 55.13 111.702 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 62.4 tttp -67.82 -49.53 61.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.78 0.832 . . . . 53.55 110.659 175.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -62.34 -33.98 75.76 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.221 0.608 . . . . 50.53 111.128 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.8 -35.27 74.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.078 0.951 . . . . 74.52 111.354 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -77.12 -39.2 50.21 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.691 -0.686 . . . . 72.35 110.369 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.78 77.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.522 0.729 . . . . 74.51 110.264 172.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 48.1 t80 -62.02 -35.16 77.75 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.378 -1.283 . . . . 75.22 111.432 175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -64.52 -34.34 78.0 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.689 0.396 . . . . 64.54 110.795 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -72.95 -45.15 59.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 124.092 0.87 . . . . 62.23 110.41 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.25 -41.61 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.135 0.974 . . . . 62.44 111.103 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -73.29 -41.31 63.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.264 1.426 . . . . 74.14 110.19 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.45 -40.04 81.54 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.114 1.365 . . . . 75.55 111.513 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.0 mt -87.69 -5.56 58.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.171 -0.922 . . . . 61.01 111.306 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 62.43 37.85 13.24 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.816 1.247 . . . . 61.44 111.593 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -97.49 86.5 3.87 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.003 -1.11 . . . . 61.31 108.003 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.3 -20.63 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 123.822 0.701 . . . . 73.24 114.496 -172.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.82 -51.77 51.75 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.886 -0.783 . . . . 73.41 108.886 171.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.29 -34.46 77.73 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.203 1.001 . . . . 75.43 111.127 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.9 mtp -69.38 -50.09 49.29 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.901 0.881 . . . . 72.35 110.606 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -41.0 99.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 123.794 0.684 . . . . 61.23 112.215 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -63.3 -40.38 97.2 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.305 1.042 . . . . 62.32 110.637 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 15' ' ' TYR . . . -63.18 -50.99 68.15 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.696 0.799 . . . . 71.01 110.145 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 34' ' ' ILE . 93.6 mt -63.54 -33.34 75.38 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.885 0.874 . . . . 62.32 111.162 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.48 -42.49 87.41 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 123.779 0.674 . . . . 74.51 109.895 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -44.39 85.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.559 0.743 . . . . 72.0 110.362 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.672 HG23 HG23 ' A' ' 8' ' ' ILE . 88.2 mt -56.23 -44.24 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 124.21 0.944 . . . . 75.23 110.101 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.67 -42.13 99.73 Favored Glycine 0 C--N 1.346 1.132 0 O-C-N 124.135 0.897 . . . . 41.42 112.468 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.51 -35.42 80.4 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.161 0.585 . . . . 61.52 111.003 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.97 -40.63 75.28 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.589 0.756 . . . . 71.25 110.665 178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.23 -42.93 96.26 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.275 0.63 . . . . 74.54 109.98 173.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -60.61 -46.29 90.82 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.242 1.417 . . . . 70.51 111.019 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -75.65 -24.03 56.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.102 0.561 . . . . 65.33 112.081 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 80.9 mtp -75.81 -16.77 60.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.104 0.562 . . . . 70.52 111.082 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.4 -1.21 64.15 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-O 119.784 -0.453 . . . . 51.23 112.546 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -87.21 67.3 9.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.231 1.012 . . . . 62.04 109.826 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.602 HG11 ' HB2' ' A' ' 80' ' ' LYS . 44.8 t -72.46 -26.84 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 114.375 -1.284 . . . . 73.51 111.6 -171.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -40.66 79.77 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.005 0.522 . . . . 75.43 109.696 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.03 -36.68 75.23 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.798 0.686 . . . . 74.35 110.394 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.81 -47.41 74.07 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.706 0.802 . . . . 52.42 109.985 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -55.22 -47.41 77.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 124.515 1.134 . . . . 63.31 111.418 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.29 -48.62 73.8 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.976 0.798 . . . . 74.33 110.637 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -71.04 -32.18 68.83 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.499 -0.773 . . . . 54.4 112.595 -176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -75.52 -30.13 59.68 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.921 0.328 . . . . 62.21 110.406 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.2 -45.44 69.91 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.775 -0.824 . . . . 70.22 108.775 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 57' ' ' VAL . 70.6 mtp180 -61.5 -50.79 71.28 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 114.177 -1.374 . . . . 73.45 110.6 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.2 73.82 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.485 1.114 . . . . 41.25 110.674 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -61.48 -43.78 98.26 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.131 0.972 . . . . 74.21 111.264 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -39.32 94.04 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.055 0.847 . . . . 64.33 110.443 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 53' ' ' ARG . 61.9 t -68.6 -42.44 83.42 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 122.945 0.498 . . . . 62.42 109.89 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -64.56 -34.17 77.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.781 0.832 . . . . 70.04 111.222 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.22 -36.1 78.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.761 0.824 . . . . 74.52 110.044 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.99 -35.4 80.49 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.202 -0.908 . . . . 64.3 110.7 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 13.2 mm-40 -75.82 -11.26 59.95 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.879 0.872 . . . . 73.3 111.494 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m80 64.69 21.63 12.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.502 1.121 . . . . 63.34 110.95 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -83.6 99.82 10.42 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.214 -1.032 . . . . 73.14 108.214 173.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 t -65.72 -41.13 92.63 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.945 -1.025 . . . . 63.44 111.418 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.56 -44.34 87.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.689 0.796 . . . . 73.25 111.597 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.12 -37.12 86.79 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 123.654 0.596 . . . . 35.11 112.516 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.16 -37.76 88.6 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.069 0.548 . . . . 54.11 110.205 175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.37 -32.51 70.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.783 0.833 . . . . 72.22 111.206 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -50.18 70.71 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.283 1.033 . . . . 73.3 109.436 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.83 86.91 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.609 -1.178 . . . . 75.22 110.778 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.45 70.51 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.731 0.813 . . . . 63.03 112.096 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.64 -48.87 44.97 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.866 0.866 . . . . 62.11 109.877 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -65.91 -29.88 70.38 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.808 -1.087 . . . . 72.05 110.23 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.38 -46.75 82.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.044 0.938 . . . . 62.32 110.855 170.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.4 t -58.59 -33.13 69.64 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.42 0.688 . . . . 72.13 110.821 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -76.91 -37.83 54.66 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.819 0.847 . . . . 73.12 110.671 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.92 -38.27 82.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.734 0.814 . . . . 73.55 111.723 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -68.14 -26.1 65.61 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.139 0.576 . . . . 64.22 111.086 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -61.77 -44.49 96.79 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.166 0.587 . . . . 73.43 110.471 174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.602 ' HB2' HG11 ' A' ' 44' ' ' VAL . 47.7 mttm -69.61 -38.68 77.36 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.999 -1.001 . . . . 70.52 110.713 -174.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.0 t -70.81 -45.23 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.188 0.995 . . . . 52.32 110.992 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.31 -38.87 78.44 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.152 0.981 . . . . 64.43 111.459 -175.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.86 -154.29 16.71 Favored Glycine 0 C--N 1.341 0.849 0 N-CA-C 111.202 -0.759 . . . . 74.01 111.202 -173.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t 66.03 95.89 0.06 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.444 1.098 . . . . 71.34 109.648 -173.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.68 2.66 61.34 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-N 115.583 -0.735 . . . . 64.41 111.528 -169.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.7 144.87 50.86 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.074 0.95 . . . . 64.02 110.774 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -164.63 116.36 1.24 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.553 1.141 . . . . 63.54 108.6 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.37 58.96 3.82 Favored Glycine 0 C--N 1.345 1.042 0 CA-C-N 116.239 -0.437 . . . . 75.1 113.717 -171.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.62 107.58 18.59 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 107.7 -1.222 . . . . 72.34 107.7 165.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.6 pt -88.81 30.09 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.61 1.164 . . . . 75.43 111.68 -177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -54.63 -40.72 69.24 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.95 0.9 . . . . 65.44 111.203 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -79.21 95.42 5.63 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 123.304 0.642 . . . . 75.43 110.329 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -110.78 88.7 2.84 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 107.809 -1.182 . . . . 74.14 107.809 164.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -88.02 84.6 6.95 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.592 -1.262 . . . . 62.03 107.592 174.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.7 93.64 0.09 OUTLIER Glycine 0 C--N 1.341 0.856 0 CA-C-N 114.615 -1.175 . . . . 34.44 110.855 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.09 145.44 55.83 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.335 0.654 . . . . 65.1 109.744 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.5 m -77.14 76.86 3.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.1 0.56 . . . . 51.3 110.069 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.415 ' O ' HD12 ' A' ' 98' ' ' ILE . 2.4 pp -121.24 117.61 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 124.654 1.182 . . . . 71.34 108.853 177.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.35 156.59 24.16 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 114.889 -1.05 . . . . 75.31 109.194 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.849 -0.596 . . . . 72.22 109.629 -179.061 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.085 0 CA-C-O 120.147 -0.252 . . . . 61.34 112.553 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.79 82.0 0.31 Allowed Glycine 0 C--N 1.352 1.417 0 C-N-CA 123.121 0.391 . . . . 42.11 112.524 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -71.67 143.24 86.97 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 124.183 0.993 . . . . 74.51 110.92 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.556 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 8.0 Cg_endo -48.49 -40.65 37.05 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 124.174 3.25 . . . . 75.22 114.899 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.457 ' HA ' HD12 ' A' ' 8' ' ' ILE . 26.3 t70 -57.97 -46.48 85.08 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.874 0.734 . . . . 74.42 111.064 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -68.92 -34.7 75.81 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.967 -1.015 . . . . 33.41 109.232 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.09 -31.46 70.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.027 0.931 . . . . 73.14 111.497 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 5' ' ' ASP . 91.1 mt -52.54 -51.21 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.577 0.751 . . . . 73.13 109.726 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.9 -34.11 77.61 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.544 0.738 . . . . 51.32 112.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -64.99 -41.11 95.7 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.373 0.669 . . . . 54.44 110.288 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -77.12 -25.13 51.77 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.276 -0.875 . . . . 63.42 111.115 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 8' ' ' ILE . 53.0 mt-10 -72.83 -31.99 65.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.015 0.526 . . . . 63.21 110.707 173.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -35.99 59.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.114 0.566 . . . . 74.12 109.716 174.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.19 66.88 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.453 0.701 . . . . 75.45 110.26 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -70.09 -44.16 69.61 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.822 0.849 . . . . 74.32 110.301 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -73.12 -31.6 64.41 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.742 0.652 . . . . 74.31 111.123 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -69.99 -29.46 66.54 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.986 0.422 . . . . 63.53 110.035 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -34.12 60.43 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.556 0.742 . . . . 72.32 110.877 172.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.55 -33.87 60.7 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.551 1.14 . . . . 54.51 111.414 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.36 -31.71 71.29 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.152 0.501 . . . . 73.14 110.266 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.98 -16.61 57.99 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.14 -0.937 . . . . 44.31 110.316 174.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 62.4 25.66 15.31 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.926 1.291 . . . . 75.43 110.754 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -97.25 92.23 5.9 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.366 -0.834 . . . . 61.11 109.107 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.64 -31.0 57.29 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-N 115.173 -0.921 . . . . 70.2 114.582 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 9.3 pt-20 -61.65 -30.52 70.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 122.896 0.478 . . . . 70.14 111.504 178.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -81.23 -42.59 20.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.386 1.074 . . . . 54.01 111.217 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 85.0 mtp -63.2 -43.07 99.19 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.269 1.028 . . . . 70.45 111.926 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.29 -32.03 82.4 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-N 115.54 -0.755 . . . . 73.12 112.667 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 25' ' ' GLU . 95.0 mtt180 -59.54 -50.19 74.85 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 109.216 -0.661 . . . . 73.22 109.216 175.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.08 91.86 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.587 1.18 . . . . 74.11 111.625 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 53' ' ' ARG . 91.6 mt -66.15 -39.59 89.93 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.498 0.719 . . . . 70.2 110.84 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -64.21 -38.32 90.62 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.529 0.731 . . . . 74.43 110.177 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -64.32 -48.65 74.8 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.461 0.705 . . . . 74.12 110.673 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 72.2 mt -59.96 -37.98 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 124.075 0.86 . . . . 65.34 110.08 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.09 -43.77 96.79 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 124.007 0.817 . . . . 44.35 112.333 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.26 -34.01 77.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.271 0.628 . . . . 62.24 110.652 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.04 -45.66 76.79 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.715 0.634 . . . . 62.42 110.662 177.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 73.7 mmtt -60.0 -43.74 95.0 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.389 0.676 . . . . 71.05 110.196 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -64.01 -43.82 94.47 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.332 1.053 . . . . 75.51 110.797 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.556 ' HD2' ' HB3' ' A' ' 4' ' ' PRO . 16.4 ptpt -75.29 -23.18 57.34 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.681 0.392 . . . . 71.2 110.956 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.6 mtp -75.39 -15.36 60.47 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 123.493 0.717 . . . . 64.23 110.973 170.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.51 -13.84 59.54 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 116.075 -0.511 . . . . 74.34 112.694 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -84.71 70.89 10.85 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 122.05 0.929 . . . . 63.34 109.888 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.46 -24.09 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 114.129 -1.396 . . . . 72.13 111.215 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -56.06 -52.5 64.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.553 0.741 . . . . 51.34 111.257 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.47 -33.34 72.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.647 0.379 . . . . 73.2 110.775 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.3 -48.1 74.61 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.744 0.818 . . . . 51.22 111.061 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -53.81 -52.34 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 124.7 1.25 . . . . 75.52 110.981 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 52' ' ' LEU . 49.0 mt-10 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.028 0.83 . . . . 63.01 111.309 -177.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -74.8 -31.32 61.68 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.053 0.76 . . . . 74.41 113.053 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -75.44 -27.44 58.94 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.75 -0.463 . . . . 61.13 109.75 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 49' ' ' GLU . 90.1 mt -69.2 -44.92 71.13 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.572 0.749 . . . . 65.03 109.35 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 57' ' ' VAL . 76.3 mtp180 -67.48 -44.85 77.52 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.376 -0.829 . . . . 73.15 110.843 177.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.86 -47.79 83.66 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.261 0.624 . . . . 24.34 110.471 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.5 -41.17 96.89 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.382 1.051 . . . . 75.44 110.896 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.53 -46.17 87.34 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 124.092 0.87 . . . . 60.21 110.87 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 53' ' ' ARG . 73.3 t -69.47 -44.31 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 CA-C-N 115.088 -0.96 . . . . 73.0 110.533 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -64.69 -30.86 71.88 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.311 0.644 . . . . 71.4 111.769 175.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.28 -37.76 81.02 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.201 1.0 . . . . 72.1 109.414 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.24 -32.43 68.75 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.789 -1.096 . . . . 65.44 111.012 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 19.4 mm-40 -76.62 -14.65 59.97 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.312 0.645 . . . . 75.0 111.862 175.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.8 m170 63.03 27.67 15.94 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.03 0.932 . . . . 74.11 111.408 -172.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.04 99.33 11.82 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.361 -0.978 . . . . 73.43 108.361 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 10.3 t -61.88 -40.55 95.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.388 0.675 . . . . 64.42 111.672 -173.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 14.7 m-20 -68.29 -32.5 72.69 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.303 0.641 . . . . 75.22 111.642 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.61 -42.61 87.79 Favored Glycine 0 CA--C 1.526 0.766 0 O-C-N 123.441 0.463 . . . . 74.22 112.005 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.13 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.285 0.634 . . . . 74.03 111.232 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 65' ' ' ASP . 97.4 mtt180 -64.63 -53.71 43.36 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.91 0.884 . . . . 61.55 110.43 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -69.96 -33.92 72.73 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.394 -0.821 . . . . 71.02 111.276 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -42.78 63.79 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 122.906 0.483 . . . . 74.35 110.484 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.54 65.47 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.766 0.666 . . . . 33.25 110.982 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.6 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 1.2 tpmt? -76.41 -40.64 50.23 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.017 0.527 . . . . 73.44 110.326 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.0 t -68.03 -32.21 72.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.674 0.79 . . . . 70.41 109.802 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.87 -47.01 88.35 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.438 -0.801 . . . . 73.1 110.657 168.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m -61.72 -36.49 81.1 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.667 0.605 . . . . 74.32 111.555 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.6 -42.33 82.63 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.605 0.762 . . . . 70.33 110.746 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.12 95.35 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.328 1.051 . . . . 74.23 111.9 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -72.28 -23.63 61.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.23 0.612 . . . . 71.12 111.805 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.34 -21.06 56.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.712 0.405 . . . . 75.5 111.165 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -82.19 -44.44 16.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.641 0.776 . . . . 74.22 109.71 174.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -68.37 -71.81 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.463 -0.79 . . . . 75.04 110.016 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -81.49 113.17 19.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.442 0.697 . . . . 61.41 109.414 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.61 55.09 4.98 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 112.26 -0.336 . . . . 75.22 112.26 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 m -77.8 109.78 12.11 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.309 0.644 . . . . 52.41 109.308 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.81 -56.36 1.89 Allowed Glycine 0 C--N 1.342 0.878 0 N-CA-C 111.846 -0.502 . . . . 75.11 111.846 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.0 t70 63.19 17.44 10.2 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.881 1.272 . . . . 75.1 111.441 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -147.46 89.82 1.81 Allowed 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.594 -0.891 . . . . 74.15 108.594 -173.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.33 94.15 1.92 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 111.113 -0.795 . . . . 55.04 111.113 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 57.8 mttm -71.95 88.84 1.07 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.039 0.535 . . . . 74.2 111.131 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.7 pt -85.99 64.41 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-O 122.475 1.131 . . . . 61.05 111.309 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -93.25 100.63 12.95 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 114.769 -1.105 . . . . 75.41 109.037 174.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 63.43 23.06 13.54 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.863 1.265 . . . . 73.43 112.631 174.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 89' ' ' LYS . 98.2 mttt -73.52 85.69 1.55 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.416 0.627 . . . . 75.51 109.438 176.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -81.06 -70.47 0.53 Allowed 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.86 -1.064 . . . . 72.23 109.451 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.8 -138.37 48.52 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 119.343 -0.698 . . . . 44.14 112.467 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 44.82 58.09 4.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.154 1.382 . . . . 63.13 111.796 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.0 t -121.97 91.64 3.55 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 114.695 -1.139 . . . . 73.34 108.984 -175.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mp -79.64 94.83 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 N-CA-C 107.008 -1.478 . . . . 71.13 107.008 174.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.77 178.89 5.65 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.896 0.878 . . . . 74.24 111.559 -176.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 123.32 0.648 . . . . 75.41 109.911 176.071 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.882 0 N-CA-C 111.436 -0.665 . . . . 74.02 111.436 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.14 -149.8 7.91 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 112.185 -0.366 . . . . 61.12 112.185 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 m -57.97 138.88 83.32 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.222 0.609 . . . . 72.42 110.469 176.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.05 -32.86 70.9 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 122.586 2.19 . . . . 74.44 112.937 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.724 ' HA ' HD12 ' A' ' 8' ' ' ILE . 28.4 t70 -62.35 -43.44 98.82 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.051 0.94 . . . . 63.24 111.397 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -61.47 -47.6 84.93 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.745 0.818 . . . . 61.42 110.092 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.474 ' HA ' ' HZ3' ' A' ' 10' ' ' LYS . 84.7 m-20 -56.2 -39.76 72.94 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 124.227 0.954 . . . . 73.32 111.058 -176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 5' ' ' ASP . 67.5 mt -51.87 -54.47 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.747 1.219 . . . . 71.32 111.748 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -62.37 -33.4 74.66 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.237 0.961 . . . . 54.1 111.253 -176.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HZ3' ' HA ' ' A' ' 7' ' ' ASN . 7.4 ttpm? -72.94 -42.55 63.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.62 0.768 . . . . 72.22 110.802 -178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -72.33 -22.68 61.14 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.384 0.673 . . . . 74.02 111.311 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -73.85 -35.47 64.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 62.34 110.245 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 56.5 mttm -68.34 -41.17 81.13 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 109.374 -0.602 . . . . 71.42 109.374 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.19 68.38 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.914 -1.039 . . . . 71.24 111.632 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -68.34 -37.78 80.87 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.106 0.962 . . . . 64.4 110.899 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.62 -36.86 79.2 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.859 0.362 . . . . 74.44 111.218 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -69.68 -39.5 76.96 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.973 0.909 . . . . 73.43 109.076 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.11 85.24 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.68 -1.145 . . . . 71.12 110.604 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.91 -41.45 95.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.396 -1.274 . . . . 74.51 110.464 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.48 -40.28 82.32 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.511 1.124 . . . . 70.2 111.681 -175.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.8 mt -94.77 11.3 31.93 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.591 -0.731 . . . . 44.43 111.676 -177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 64.06 22.56 12.96 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 124.805 1.242 . . . . 75.42 111.841 178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -83.65 85.02 7.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.777 0.831 . . . . 75.35 109.761 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.73 78.24 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-N 115.783 -0.644 . . . . 54.31 111.99 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.3 -51.51 64.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.007 0.923 . . . . 73.44 110.369 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.4 mt -67.76 -39.37 84.15 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.266 -0.879 . . . . 75.42 111.207 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.6 mtm -65.72 -39.22 90.97 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.671 0.389 . . . . 64.33 111.821 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.87 -46.43 82.3 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 111.019 -0.832 . . . . 51.52 111.019 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.43 -35.72 78.36 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.558 0.743 . . . . 74.24 110.905 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.66 -52.65 42.51 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.95 0.782 . . . . 42.11 110.739 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.5 -34.61 78.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.27 0.628 . . . . 71.21 111.159 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' OH ' ' HG2' ' A' ' 69' ' ' ARG . 64.3 t80 -66.93 -43.89 82.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 61.2 110.599 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 36.8 t-20 -67.05 -46.98 72.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.779 0.832 . . . . 61.32 109.847 -177.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.6 HG23 HG23 ' A' ' 8' ' ' ILE . 81.3 mt -56.83 -44.22 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.542 1.137 . . . . 53.03 110.543 173.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.31 -41.3 99.47 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 123.877 0.735 . . . . 62.2 112.834 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.69 -47.96 80.9 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.068 0.547 . . . . 62.31 109.967 174.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 33' ' ' ASN . 12.2 mm-40 -62.83 -30.78 71.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 123.842 0.714 . . . . 75.42 112.364 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.35 -47.53 83.8 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.851 -0.426 . . . . 74.13 109.851 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -64.19 -31.9 73.27 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 124.335 1.022 . . . . 73.03 111.338 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -63.48 -39.33 94.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.548 0.739 . . . . 61.34 110.615 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 46.6 mtm -88.92 0.54 56.52 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.515 0.726 . . . . 74.43 112.042 -175.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.54 9.5 78.68 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-O 119.904 -0.387 . . . . 71.4 113.643 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.64 69.29 9.67 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.099 -1.074 . . . . 73.41 108.099 170.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 80' ' ' LYS . 57.5 t -74.56 -30.35 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 115.009 -0.996 . . . . 62.34 111.945 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -68.18 -40.07 82.35 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.196 -0.668 . . . . 65.05 109.196 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.93 -35.2 66.97 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.379 -0.828 . . . . 73.01 109.604 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -50.51 72.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.204 0.94 . . . . 41.52 110.302 176.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -52.22 -49.78 39.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 124.809 1.318 . . . . 65.32 111.404 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -45.44 82.95 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.205 1.402 . . . . 74.54 110.298 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -71.94 -33.49 68.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.629 0.772 . . . . 75.32 112.495 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -71.02 -29.75 65.77 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.433 0.293 . . . . 75.11 110.433 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -72.39 -43.94 63.21 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 123.812 0.695 . . . . 54.3 109.416 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 57' ' ' VAL . 58.9 mtt180 -61.05 -53.47 56.74 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.012 0.82 . . . . 72.15 109.827 176.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.09 -49.3 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 124.653 1.181 . . . . 73.32 111.994 -177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -58.21 -45.72 87.12 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.674 1.234 . . . . 61.3 110.657 -178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.09 -36.31 83.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 123.964 0.79 . . . . 73.24 111.2 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 53' ' ' ARG . 44.4 t -68.61 -39.4 80.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 N-CA-C 109.74 -0.467 . . . . 55.22 109.74 176.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -63.06 -35.32 79.85 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.572 0.749 . . . . 72.55 110.761 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -70.33 -35.17 73.44 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.998 0.519 . . . . 70.23 110.924 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.55 82.87 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.574 0.75 . . . . 64.2 110.515 175.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -83.43 -11.98 56.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.18 0.992 . . . . 74.11 111.259 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 66.17 22.81 11.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.642 1.177 . . . . 63.44 112.279 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.45 94.69 5.61 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.246 -1.02 . . . . 71.01 108.246 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 t -64.4 -33.85 76.81 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.016 -0.993 . . . . 62.3 111.801 -175.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.49 -59.11 5.65 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.315 1.046 . . . . 44.24 111.7 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.4 -32.05 68.31 Favored Glycine 0 C--N 1.339 0.738 0 CA-C-N 115.794 -0.639 . . . . 61.32 113.078 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.12 85.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.89 0.376 . . . . 23.33 111.095 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -72.06 -32.36 67.01 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.323 0.649 . . . . 71.04 110.701 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HG2' ' OH ' ' A' ' 32' ' ' TYR . 71.3 ttt180 -74.55 -32.7 62.52 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.688 0.795 . . . . 73.34 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.04 70.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.749 -0.66 . . . . 71.14 109.456 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.11 70.4 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.797 0.839 . . . . 73.25 111.445 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -68.57 -49.33 60.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.563 0.745 . . . . 74.25 109.794 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.6 m -63.95 -30.36 71.45 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.772 -0.649 . . . . 54.4 111.714 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.82 -43.56 71.78 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.642 0.777 . . . . 72.21 110.676 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.9 t -58.37 -37.24 74.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.463 0.705 . . . . 72.24 110.288 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.86 -47.04 55.72 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.369 1.068 . . . . 63.14 110.926 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -37.71 88.43 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.036 0.935 . . . . 62.03 111.718 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 23.1 m-85 -66.97 -36.38 82.06 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 122.779 0.431 . . . . 74.11 110.851 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.63 -33.13 71.12 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.422 0.689 . . . . 75.23 111.257 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.571 ' HB2' HG11 ' A' ' 44' ' ' VAL . 92.3 mttt -75.78 -34.21 60.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.301 0.641 . . . . 74.11 110.758 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t -82.14 -13.95 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.803 0.841 . . . . 72.54 111.409 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 78' ' ' TYR . 53.9 mm-40 -63.15 138.51 58.57 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.095 0.474 . . . . 73.43 111.615 177.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.18 29.5 2.52 Favored Glycine 0 C--O 1.24 0.469 0 CA-C-N 114.647 -1.161 . . . . 53.34 110.556 173.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.0 t -70.63 -35.16 72.78 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 124.078 0.951 . . . . 75.23 110.602 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.09 -43.19 2.28 Favored Glycine 0 C--N 1.349 1.272 0 N-CA-C 112.073 -0.411 . . . . 63.11 112.073 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.06 122.14 23.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.295 0.638 . . . . 63.14 109.955 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -102.14 147.12 27.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.778 0.831 . . . . 73.11 109.378 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.85 -155.77 12.44 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 115.722 -0.672 . . . . 55.12 112.49 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 56.81 93.33 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.841 1.257 . . . . 73.34 110.259 -172.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.3 pt -76.0 66.72 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 CA-C-O 122.215 1.007 . . . . 60.12 110.49 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -111.41 143.49 42.15 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 124.767 1.227 . . . . 54.12 108.445 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -160.81 155.05 23.08 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.462 0.705 . . . . 72.32 109.49 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -74.8 96.49 3.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.401 0.68 . . . . 71.14 109.786 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -80.84 105.28 11.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.278 1.031 . . . . 72.25 108.733 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.21 -38.06 94.74 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 116.374 -0.375 . . . . 74.22 113.183 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -140.74 73.65 1.43 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.97 0.908 . . . . 73.51 109.531 -173.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -92.73 100.53 13.01 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 107.372 -1.344 . . . . 74.04 107.372 167.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.8 tt -57.85 106.62 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.632 0.773 . . . . 62.05 111.357 -172.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.62 86.89 1.21 Allowed 'General case' 0 C--O 1.24 0.605 0 N-CA-C 108.709 -0.849 . . . . 74.53 108.709 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.162 0 N-CA-C 106.71 -1.589 . . . . 75.31 106.71 -177.39 . . . . . . . . 1 1 . 1 stop_ save_