data_2kng_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 2kng _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 . . . . . 0 CA--C 1.543 0.693 0 N-CA-C 112.716 0.636 . . . . 1.0 112.716 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -50.64 -43.73 57.2 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.955 -1.091 . . . . 1.0 112.371 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.235 1.014 . . . . 1.0 112.691 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -38.52 79.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.656 0.782 . . . . 1.0 112.148 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.56 -39.64 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.722 0.809 . . . . 1.0 111.009 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -59.3 -48.03 83.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.28 1.032 . . . . 1.0 111.181 172.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.9 -46.11 89.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.424 0.69 . . . . 1.0 111.667 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -56.69 -45.7 81.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.084 0.954 . . . . 1.0 112.148 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.468 0.707 . . . . 1.0 111.594 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -61.98 -45.85 91.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.256 1.022 . . . . 1.0 112.043 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -60.3 -31.82 70.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.877 1.271 . . . . 1.0 112.849 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -93.71 2.27 56.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.703 1.201 . . . . 1.0 113.818 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.69 18.38 73.93 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.649 1.118 . . . . 1.0 115.032 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -84.66 150.34 25.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.144 1.378 . . . . 1.0 111.574 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -69.52 125.97 28.31 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.676 0.79 . . . . 1.0 111.27 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.31 147.89 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.38 1.472 . . . . 1.0 110.666 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 t -73.09 155.06 40.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.143 0.497 . . . . 1.0 112.007 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.9 p -72.65 -34.44 67.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.001 0.92 . . . . 1.0 112.838 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -138.08 164.78 28.25 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.448 1.899 . . . . 1.0 111.63 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.07 -151.98 44.74 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.024 0.821 . . . . 1.0 113.953 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.95 154.58 41.1 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.61 1.164 . . . . 1.0 113.167 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.4 mt -109.72 145.25 31.58 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 126.467 1.907 . . . . 1.0 109.233 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.58 138.93 61.64 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.107 1.872 . . . . 1.0 111.787 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -28.35 68.64 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.039 0.755 . . . . 1.0 113.039 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.17 -35.62 77.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.004 0.921 . . . . 1.0 112.696 172.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.66 -34.49 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.527 1.131 . . . . 1.0 111.218 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.54 -43.91 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.437 -0.79 . . . . 1.0 110.725 170.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.35 -43.38 98.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.382 1.073 . . . . 1.0 112.202 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.37 85.91 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.324 1.05 . . . . 1.0 112.528 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -63.03 -48.01 80.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.252 1.021 . . . . 1.0 111.46 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -60.0 -38.25 82.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.647 -0.658 . . . . 1.0 112.734 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.54 98.62 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.273 -0.892 . . . . 1.0 111.519 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.89 97.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.573 0.749 . . . . 1.0 113.019 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.1 p -78.63 -24.77 45.1 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -97.28 -45.75 6.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.547 1.139 . . . . 1.0 113.625 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 -169.757 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 112.252 0.464 . . . . 1.0 112.252 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m -64.13 -43.64 94.63 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.194 0.998 . . . . 1.0 111.042 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.319 1.047 . . . . 1.0 111.957 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.29 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.272 0.942 . . . . 1.0 112.321 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.84 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.884 0.873 . . . . 1.0 111.11 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -57.58 -50.35 73.41 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.859 0.863 . . . . 1.0 110.975 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -34.88 78.5 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.933 0.893 . . . . 1.0 112.869 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -65.87 -47.83 73.56 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.455 1.102 . . . . 1.0 111.567 169.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.46 96.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.829 0.852 . . . . 1.0 112.439 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.71 1.204 . . . . 1.0 112.72 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -75.42 -24.3 57.08 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.675 1.19 . . . . 1.0 113.749 177.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -96.65 0.9 50.5 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.919 1.287 . . . . 1.0 113.721 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.13 22.2 78.92 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.556 1.074 . . . . 1.0 114.76 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -93.67 151.01 19.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.881 1.273 . . . . 1.0 112.081 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -70.46 123.07 20.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.798 0.839 . . . . 1.0 112.192 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -156.38 144.32 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.766 1.626 . . . . 1.0 110.711 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -68.95 153.03 44.51 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.45 1.1 . . . . 1.0 112.244 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -67.85 -30.0 69.28 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 121.037 -1.039 . . . . 1.0 113.308 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.44 167.37 23.79 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.374 2.269 . . . . 1.0 111.749 177.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.8 -144.48 31.36 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.026 0.822 . . . . 1.0 113.624 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.83 154.13 42.21 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.836 1.254 . . . . 1.0 113.023 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mt -121.48 139.53 29.94 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 126.307 1.843 . . . . 1.0 109.224 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.57 136.82 47.86 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.053 2.502 . . . . 1.0 112.512 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.17 67.77 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.59 0.959 . . . . 1.0 113.59 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -61.14 -40.33 93.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.157 0.983 . . . . 1.0 112.336 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 p -80.46 -29.7 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.728 -0.608 . . . . 1.0 112.388 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.19 -45.21 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.226 0.61 . . . . 1.0 110.292 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.54 -43.86 97.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.064 -1.022 . . . . 1.0 112.298 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.38 -40.62 87.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 1.0 112.651 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -61.67 -48.23 81.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.696 0.799 . . . . 1.0 111.334 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -64.01 -33.69 76.3 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.4 87.8 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.277 -0.89 . . . . 1.0 111.3 170.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.59 87.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.052 0.941 . . . . 1.0 113.237 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.0 p -77.61 -41.44 38.55 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.218 0.821 . . . . 1.0 113.218 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.88 -51.98 5.21 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.618 0.97 . . . . 1.0 113.618 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 113.176 0.806 . . . . 1.0 113.176 -169.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 113.235 0.828 . . . . 1.0 113.235 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.1 p -57.81 -39.66 78.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.175 0.99 . . . . 1.0 112.363 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.99 95.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.395 1.078 . . . . 1.0 112.047 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.84 85.55 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.396 0.678 . . . . 1.0 112.127 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.37 -42.95 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.743 0.817 . . . . 1.0 110.767 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -62.46 -45.84 91.22 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 1.0 112.171 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.98 -45.53 92.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.58 0.627 . . . . 1.0 111.773 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -55.99 -45.83 78.86 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.802 0.841 . . . . 1.0 111.863 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.9 99.3 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.548 -0.72 . . . . 1.0 111.681 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.03 -43.98 97.69 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.244 1.018 . . . . 1.0 112.16 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.3 -31.86 72.51 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.599 1.16 . . . . 1.0 113.05 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -92.39 -1.9 56.7 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.819 1.248 . . . . 1.0 114.152 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.57 19.51 72.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.186 0.898 . . . . 1.0 114.66 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -88.71 147.59 24.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.086 1.354 . . . . 1.0 111.44 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.74 135.98 50.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.137 0.575 . . . . 1.0 111.596 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -153.83 144.45 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.172 1.389 . . . . 1.0 110.661 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 t -81.35 139.79 35.13 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.777 -0.577 . . . . 1.0 111.59 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.66 -12.53 59.81 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.109 1.364 . . . . 1.0 114.039 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -130.71 159.26 37.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.862 1.665 . . . . 1.0 112.374 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 63.32 -160.58 35.67 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.551 1.072 . . . . 1.0 114.001 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.8 151.4 44.85 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.285 1.034 . . . . 1.0 112.107 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.95 142.8 60.68 Favored Pre-proline 0 N--CA 1.477 0.898 0 C-N-CA 124.478 1.111 . . . . 1.0 110.124 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.36 142.35 65.7 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.596 2.198 . . . . 1.0 112.191 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.07 -26.56 67.73 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.315 0.857 . . . . 1.0 113.315 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.6 -44.17 72.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.564 1.146 . . . . 1.0 111.96 170.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.79 -34.65 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 123.967 0.907 . . . . 1.0 111.411 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.0 mt -62.84 -47.17 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.853 -0.529 . . . . 1.0 110.406 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.4 -44.61 92.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.072 0.949 . . . . 1.0 111.9 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.16 -46.54 85.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.601 1.16 . . . . 1.0 112.981 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.69 -47.0 85.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.346 1.058 . . . . 1.0 111.306 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -63.69 -36.48 83.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.94 95.66 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.527 1.058 . . . . 1.0 111.209 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.17 82.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.963 0.905 . . . . 1.0 113.405 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.2 p -83.14 -34.29 26.08 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.877 1.066 . . . . 1.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.6 tp -92.84 -40.91 10.37 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.014 1.116 . . . . 1.0 114.014 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -175.824 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -58.39 -47.21 84.6 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.874 0.869 . . . . 1.0 111.732 169.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.91 91.3 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.654 0.781 . . . . 1.0 112.183 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.59 98.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.199 0.599 . . . . 1.0 112.486 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -71.39 -39.24 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.49 0.716 . . . . 1.0 111.247 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -59.95 -48.02 83.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.045 0.839 . . . . 1.0 111.276 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -62.45 -45.35 93.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.909 0.884 . . . . 1.0 112.482 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -56.16 -48.17 76.83 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.196 0.907 . . . . 1.0 112.098 173.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.51 98.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.736 0.814 . . . . 1.0 111.73 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -60.12 -45.93 91.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.243 1.417 . . . . 1.0 112.281 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -70.79 -26.05 63.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.29 1.036 . . . . 1.0 113.459 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -92.08 1.38 57.24 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.466 1.106 . . . . 1.0 113.757 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.36 18.85 77.17 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.448 1.023 . . . . 1.0 114.861 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -84.65 150.87 24.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.942 1.297 . . . . 1.0 111.351 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.18 128.09 34.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.109 0.564 . . . . 1.0 111.336 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -154.43 144.67 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.311 1.444 . . . . 1.0 110.533 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.3 t -81.46 143.38 32.13 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.819 -0.55 . . . . 1.0 111.558 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -83.09 -18.44 39.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.805 1.242 . . . . 1.0 113.176 173.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -120.06 -36.38 3.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.287 1.435 . . . . 1.0 113.8 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.18 177.27 54.34 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.035 1.302 . . . . 1.0 113.642 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -71.77 154.56 41.23 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.437 1.095 . . . . 1.0 111.683 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.8 mt -79.7 138.44 54.39 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.012 0.925 . . . . 1.0 109.699 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.86 140.05 59.47 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.425 2.083 . . . . 1.0 111.95 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.1 -29.15 69.58 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.8 -37.18 78.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.047 0.939 . . . . 1.0 112.458 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 t -79.88 -35.32 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.745 1.218 . . . . 1.0 111.455 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.2 mt -61.29 -44.94 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.488 -0.758 . . . . 1.0 110.726 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.58 -43.73 98.32 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.138 0.975 . . . . 1.0 112.172 172.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.66 79.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.515 1.126 . . . . 1.0 112.545 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.25 -50.02 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.154 0.982 . . . . 1.0 111.416 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -63.97 -32.45 74.0 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.56 79.04 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.974 -1.079 . . . . 1.0 111.149 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.25 -33.0 73.77 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.927 1.084 . . . . 1.0 113.927 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.8 p -85.28 -45.66 11.74 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.892 1.071 . . . . 1.0 113.892 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.43 -38.13 19.01 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.19 0.905 . . . . 1.0 113.288 -172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 124.52 1.128 . . . . 1.0 113.118 179.692 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 111.791 0.293 . . . . 1.0 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.6 m -65.95 -42.91 89.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.142 0.977 . . . . 1.0 111.346 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.86 98.15 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.22 1.008 . . . . 1.0 111.729 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.43 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.26 -41.48 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.414 0.686 . . . . 1.0 111.093 174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -62.69 -46.86 86.18 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.617 0.767 . . . . 1.0 111.774 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.78 -46.58 89.92 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.274 1.03 . . . . 1.0 111.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -56.97 -47.67 80.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.009 0.924 . . . . 1.0 112.32 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.03 95.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.388 0.675 . . . . 1.0 111.096 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -60.47 -46.27 90.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.564 1.145 . . . . 1.0 112.097 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -65.04 -28.35 69.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.733 1.213 . . . . 1.0 113.415 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -92.99 1.98 57.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.532 1.133 . . . . 1.0 113.767 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.42 17.72 74.68 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.414 1.007 . . . . 1.0 114.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -85.24 151.53 24.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.98 1.312 . . . . 1.0 111.82 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.4 137.27 52.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.353 0.661 . . . . 1.0 111.427 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.0 141.53 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.896 1.278 . . . . 1.0 110.959 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.6 m -65.23 135.79 55.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.663 1.185 . . . . 1.0 112.84 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -87.52 -20.09 26.99 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.804 1.242 . . . . 1.0 113.553 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -130.61 155.21 46.92 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.413 2.285 . . . . 1.0 110.6 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.79 -161.82 48.79 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.847 0.737 . . . . 1.0 114.266 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -75.7 146.09 40.43 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.083 1.353 . . . . 1.0 111.915 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.7 142.95 96.34 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 124.085 0.954 . . . . 1.0 109.787 174.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.65 138.76 55.36 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.29 1.993 . . . . 1.0 112.073 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.13 68.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.22 -37.16 79.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.901 0.88 . . . . 1.0 112.491 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.35 -35.57 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.467 1.107 . . . . 1.0 111.522 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.53 -46.0 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.55 -0.719 . . . . 1.0 110.454 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.61 -44.05 97.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.224 1.01 . . . . 1.0 112.328 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.25 84.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 1.0 112.634 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.47 -51.0 71.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.123 0.969 . . . . 1.0 111.224 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -62.03 -35.93 80.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.041 0.756 . . . . 1.0 113.041 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.53 89.89 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.155 0.888 . . . . 1.0 111.187 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.47 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.932 0.893 . . . . 1.0 113.409 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -78.32 -30.94 48.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.5 tp -82.35 -56.21 4.04 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.373 1.069 . . . . 1.0 112.122 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.619 0.723 . . . . 1.0 111.815 -171.861 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 119.564 -0.255 . . . . 1.0 111.584 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -65.54 -43.52 89.69 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.195 -0.941 . . . . 1.0 111.297 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.61 91.96 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.543 -0.723 . . . . 1.0 112.474 174.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.89 91.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.537 0.735 . . . . 1.0 112.611 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.73 -38.48 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.642 0.777 . . . . 1.0 111.063 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -58.57 -49.63 76.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.324 1.05 . . . . 1.0 110.962 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.24 -45.78 91.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.016 0.526 . . . . 1.0 111.766 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.09 -46.57 82.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.091 0.956 . . . . 1.0 112.23 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.69 99.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.393 0.677 . . . . 1.0 111.505 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -63.32 -45.88 89.26 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.585 1.154 . . . . 1.0 111.725 174.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.01 -32.87 71.27 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.96 1.304 . . . . 1.0 113.091 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -91.99 1.49 57.16 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.734 1.214 . . . . 1.0 114.022 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.37 19.37 74.3 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.489 1.043 . . . . 1.0 114.967 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -84.2 152.0 24.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.011 1.324 . . . . 1.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.32 123.09 20.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.678 0.791 . . . . 1.0 111.13 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p -152.98 149.26 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.37 1.468 . . . . 1.0 110.875 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -70.88 149.37 46.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.236 0.541 . . . . 1.0 111.921 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 p -73.25 -37.48 66.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.848 0.859 . . . . 1.0 112.163 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -133.74 -23.21 1.83 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.137 1.375 . . . . 1.0 114.518 -173.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.4 -170.71 37.5 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.934 1.254 . . . . 1.0 114.304 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.36 154.24 42.34 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.658 1.183 . . . . 1.0 112.117 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -98.42 137.95 20.76 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 1.0 109.619 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.1 140.1 58.39 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.511 2.14 . . . . 1.0 112.172 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.73 -28.83 68.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.925 0.713 . . . . 1.0 112.925 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.5 78.63 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 1.0 112.543 172.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 t -79.59 -35.34 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.635 1.174 . . . . 1.0 111.375 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.9 mt -61.59 -45.13 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.62 -0.675 . . . . 1.0 110.673 170.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.37 -43.42 98.9 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.105 -0.997 . . . . 1.0 112.236 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.45 82.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.198 0.999 . . . . 1.0 112.604 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -60.21 -51.33 70.03 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.17 0.988 . . . . 1.0 111.095 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -62.54 -35.61 79.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.892 0.701 . . . . 1.0 112.892 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.54 96.54 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.272 -0.892 . . . . 1.0 111.815 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.29 80.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.621 0.971 . . . . 1.0 113.621 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -81.65 -27.4 34.1 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.332 1.234 . . . . 1.0 114.332 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -101.73 -44.7 5.47 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.937 0.895 . . . . 1.0 113.286 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 N--CA 1.479 1.018 0 C-N-CA 126.091 1.756 . . . . 1.0 113.667 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.156 0.428 . . . . 1.0 112.156 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 m -60.37 -42.62 96.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.451 0.7 . . . . 1.0 112.108 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.05 84.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.701 0.8 . . . . 1.0 112.263 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.3 98.82 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.171 0.588 . . . . 1.0 112.467 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.96 -42.47 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 1.0 110.972 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -58.18 -47.52 83.18 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.171 0.896 . . . . 1.0 111.923 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.49 -47.74 82.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.488 0.715 . . . . 1.0 112.215 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -57.44 -46.67 83.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.119 0.872 . . . . 1.0 111.999 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.08 91.63 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.755 0.822 . . . . 1.0 111.628 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -62.37 -43.36 99.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.223 1.009 . . . . 1.0 112.452 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -69.52 -24.89 63.8 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.188 0.995 . . . . 1.0 113.653 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.92 3.38 44.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.607 1.163 . . . . 1.0 114.013 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.68 18.75 77.52 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.586 1.088 . . . . 1.0 115.302 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -85.74 153.05 22.58 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.033 1.333 . . . . 1.0 112.027 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -73.51 122.45 22.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.929 0.892 . . . . 1.0 112.407 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -153.16 144.34 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.132 1.773 . . . . 1.0 110.088 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.8 t -90.27 147.38 23.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.448 0.699 . . . . 1.0 111.842 173.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 p -74.86 -14.01 60.62 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.66 1.184 . . . . 1.0 113.244 173.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -112.43 159.6 18.57 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.415 1.886 . . . . 1.0 111.736 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.66 -159.52 34.72 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.666 1.127 . . . . 1.0 114.646 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.57 154.2 30.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.757 1.223 . . . . 1.0 112.084 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.56 142.36 53.53 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.655 1.182 . . . . 1.0 109.776 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.21 135.61 44.07 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.339 2.693 . . . . 1.0 112.578 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.41 67.83 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.73 1.011 . . . . 1.0 113.73 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.76 -41.43 95.45 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.835 0.854 . . . . 1.0 112.518 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.9 -30.22 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 1.0 112.209 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.97 -44.79 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.241 0.617 . . . . 1.0 110.842 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.01 -44.45 96.7 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.178 0.991 . . . . 1.0 112.121 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.38 93.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.72 0.808 . . . . 1.0 112.592 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 1.0 111.835 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -61.01 -43.51 98.78 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.411 -0.806 . . . . 1.0 112.151 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.51 -47.11 87.12 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.681 1.128 . . . . 1.0 111.642 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.72 88.25 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.025 0.93 . . . . 1.0 113.351 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.6 p -88.2 -31.58 19.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.362 1.245 . . . . 1.0 114.362 -176.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.93 -39.08 10.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.279 0.945 . . . . 1.0 112.997 -175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.828 0.823 . . . . 1.0 111.311 -179.661 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 112.39 0.515 . . . . 1.0 112.39 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 t -66.29 -48.48 70.25 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.985 0.914 . . . . 1.0 110.688 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.3 83.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.183 0.993 . . . . 1.0 112.684 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.54 96.75 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.569 -0.707 . . . . 1.0 112.39 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.82 -39.65 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 118.732 0.697 . . . . 1.0 111.094 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.46 -51.09 71.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.941 0.897 . . . . 1.0 111.453 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.24 -38.43 85.17 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.289 0.495 . . . . 1.0 111.982 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -57.54 -47.21 82.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.998 0.919 . . . . 1.0 111.25 169.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.32 97.12 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.55 -0.719 . . . . 1.0 112.001 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -57.48 -44.89 85.26 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.082 1.353 . . . . 1.0 111.991 173.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -69.69 -28.98 66.3 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.86 1.264 . . . . 1.0 113.615 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -90.56 -5.47 55.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.635 1.174 . . . . 1.0 113.706 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.74 18.94 79.05 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.625 1.107 . . . . 1.0 114.677 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -87.13 143.34 27.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.763 1.225 . . . . 1.0 110.833 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -66.26 131.07 45.29 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.453 0.701 . . . . 1.0 111.701 -176.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -150.49 141.49 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.872 1.269 . . . . 1.0 110.767 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.9 t -92.27 147.49 22.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.946 0.898 . . . . 1.0 112.788 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 p -99.08 -5.92 29.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.785 1.634 . . . . 1.0 113.115 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -95.49 -1.6 50.39 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.233 1.413 . . . . 1.0 114.398 -170.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.56 -163.72 27.6 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.521 1.534 . . . . 1.0 112.952 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -66.96 151.8 46.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.035 0.934 . . . . 1.0 111.839 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -72.19 131.11 85.47 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.867 0.867 . . . . 1.0 110.382 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.77 148.83 53.23 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.824 2.349 . . . . 1.0 112.259 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.92 67.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.678 1.362 . . . . 1.0 114.678 -169.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.3 -32.37 71.15 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.303 0.956 . . . . 1.0 112.582 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 t -78.73 -35.36 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 123.797 0.839 . . . . 1.0 111.515 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -42.82 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.623 0.769 . . . . 1.0 110.012 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.33 -45.07 94.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.169 0.988 . . . . 1.0 112.469 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.78 82.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.5 1.12 . . . . 1.0 112.241 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.84 -46.94 88.61 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.393 1.077 . . . . 1.0 111.237 173.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -69.46 -22.66 63.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.777 1.399 . . . . 1.0 114.777 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.19 -43.09 87.36 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.299 1.409 . . . . 1.0 110.219 169.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.66 91.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.751 0.82 . . . . 1.0 113.008 174.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 42.4 p -68.83 -36.91 78.77 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.152 0.887 . . . . 1.0 112.456 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -73.36 -44.15 59.3 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 125.088 1.355 . . . . 1.0 111.604 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 -178.037 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.366 0.506 . . . . 1.0 112.366 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m -64.52 -39.99 94.79 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.286 -0.884 . . . . 1.0 111.335 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.63 99.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.718 0.807 . . . . 1.0 112.156 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.16 95.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.711 0.804 . . . . 1.0 112.482 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.06 -44.93 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.33 0.652 . . . . 1.0 110.745 174.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -60.94 -47.43 86.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.681 0.793 . . . . 1.0 111.917 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.75 -46.01 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.4 0.68 . . . . 1.0 111.93 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -57.84 -45.89 85.54 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.97 0.908 . . . . 1.0 112.067 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.26 99.16 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.039 0.535 . . . . 1.0 111.434 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -62.8 -44.44 96.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.437 1.095 . . . . 1.0 112.481 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -60.75 -31.47 70.8 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.952 1.301 . . . . 1.0 112.866 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -93.06 1.57 57.18 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.816 1.247 . . . . 1.0 113.868 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 17.57 73.75 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.744 1.164 . . . . 1.0 114.914 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -85.53 147.88 26.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.003 1.321 . . . . 1.0 111.621 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.13 136.14 49.87 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.49 0.716 . . . . 1.0 110.749 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.34 145.53 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.706 1.202 . . . . 1.0 111.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.2 m -70.8 112.48 7.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.374 1.07 . . . . 1.0 111.117 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.1 p -80.7 -44.97 17.88 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.761 1.224 . . . . 1.0 112.815 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -104.81 -27.8 11.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.369 1.468 . . . . 1.0 113.536 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.03 173.83 41.66 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.16 1.362 . . . . 1.0 113.632 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 139.75 58.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.659 1.184 . . . . 1.0 111.479 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.36 137.59 83.92 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.879 0.872 . . . . 1.0 110.155 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.14 140.82 50.55 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.633 2.222 . . . . 1.0 112.16 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -28.76 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.207 0.818 . . . . 1.0 113.207 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.7 -37.97 80.31 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.9 0.88 . . . . 1.0 112.356 172.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 t -79.6 -34.58 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.971 0.908 . . . . 1.0 111.542 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.98 -45.69 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.777 -0.577 . . . . 1.0 110.531 170.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.347 1.059 . . . . 1.0 112.409 173.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.76 85.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.671 1.189 . . . . 1.0 112.495 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -64.48 -45.46 87.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.896 0.878 . . . . 1.0 111.603 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -60.71 -35.78 77.16 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.81 0.732 . . . . 1.0 112.857 175.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.21 99.63 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.09 -1.006 . . . . 1.0 111.266 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.46 88.12 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.691 -1.255 . . . . 1.0 113.306 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.4 p -79.93 -25.91 40.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.377 1.251 . . . . 1.0 114.377 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -104.94 -42.74 5.25 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.325 1.05 . . . . 1.0 113.596 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.478 0.951 0 C-N-CA 124.592 1.157 . . . . 1.0 113.456 -176.388 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.689 0.625 . . . . 1.0 112.689 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 p -79.44 -41.8 26.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.564 0.62 . . . . 1.0 110.033 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.5 72.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.396 1.079 . . . . 1.0 112.745 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.41 76.02 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.353 1.061 . . . . 1.0 112.542 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.8 mt -77.31 -38.41 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.428 1.091 . . . . 1.0 110.955 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -59.59 -47.33 86.0 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.09 0.859 . . . . 1.0 110.848 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.32 -43.67 90.29 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.567 0.747 . . . . 1.0 112.125 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -57.12 -46.43 82.65 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 1.0 112.16 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.22 -39.43 93.95 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.481 -0.762 . . . . 1.0 111.797 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -67.37 -43.63 80.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.895 1.278 . . . . 1.0 110.696 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.61 -34.44 72.77 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.753 1.621 . . . . 1.0 112.649 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -90.86 3.1 55.42 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.714 1.206 . . . . 1.0 114.158 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 16.84 76.81 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.62 1.105 . . . . 1.0 115.28 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.37 148.5 25.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.194 1.398 . . . . 1.0 111.689 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.37 129.25 38.35 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.783 0.833 . . . . 1.0 111.112 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.02 149.42 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.976 1.31 . . . . 1.0 111.265 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.0 t -75.31 148.23 39.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.862 -0.524 . . . . 1.0 111.692 172.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -76.42 -23.76 53.97 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.384 1.074 . . . . 1.0 113.245 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.2 ptp85 -141.24 -23.79 0.74 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 116.418 2.007 . . . . 1.0 116.418 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.9 -175.96 45.06 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.555 1.074 . . . . 1.0 113.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -67.09 137.06 56.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.024 0.93 . . . . 1.0 111.301 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.02 139.91 46.22 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 124.101 0.961 . . . . 1.0 109.486 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.55 138.65 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.434 2.089 . . . . 1.0 112.109 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.84 -29.06 69.92 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.913 0.708 . . . . 1.0 112.913 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.15 -37.15 79.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.968 0.907 . . . . 1.0 112.279 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.63 -35.27 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.716 1.206 . . . . 1.0 111.488 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.3 mt -61.02 -45.44 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.596 -0.69 . . . . 1.0 110.627 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.83 -43.62 98.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.117 0.967 . . . . 1.0 111.885 172.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.421 1.088 . . . . 1.0 112.693 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -59.89 -50.23 74.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.542 1.137 . . . . 1.0 111.275 173.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -62.92 -37.16 85.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.943 0.72 . . . . 1.0 112.943 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.33 86.22 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.332 0.969 . . . . 1.0 112.273 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.47 78.8 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.233 1.013 . . . . 1.0 113.241 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.5 p -85.38 -35.63 21.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.7 tp -86.37 -33.75 20.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.478 1.036 . . . . 1.0 113.486 -172.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.647 0.779 . . . . 1.0 111.745 -175.36 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.477 0.547 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -66.75 -43.0 85.25 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.577 -0.702 . . . . 1.0 111.686 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.93 91.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.018 0.826 . . . . 1.0 112.563 171.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.48 99.52 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.743 0.701 . . . . 1.0 112.583 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.35 -41.34 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.236 1.014 . . . . 1.0 111.368 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -65.61 -45.81 81.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.662 0.785 . . . . 1.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -61.87 -42.92 99.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.053 0.842 . . . . 1.0 112.571 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -55.98 -49.91 72.29 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.468 -0.77 . . . . 1.0 111.522 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.81 94.87 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.463 -0.773 . . . . 1.0 112.046 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.34 -44.32 72.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.249 1.819 . . . . 1.0 112.199 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -77.87 -24.44 48.51 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.496 1.119 . . . . 1.0 113.845 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -91.6 -6.84 51.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.514 1.126 . . . . 1.0 113.869 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.0 20.37 78.87 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.238 0.923 . . . . 1.0 114.204 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.71 147.24 27.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.611 1.164 . . . . 1.0 111.129 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -65.9 125.8 26.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.54 0.736 . . . . 1.0 111.735 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.29 148.06 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.753 1.621 . . . . 1.0 110.053 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 t -68.17 141.27 56.06 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.662 -0.649 . . . . 1.0 111.0 172.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -78.14 -20.13 52.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.409 1.083 . . . . 1.0 113.845 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.17 -31.81 0.97 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.321 1.23 . . . . 1.0 114.321 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.92 -173.23 43.27 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.911 1.243 . . . . 1.0 114.229 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -71.34 157.15 38.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.673 1.189 . . . . 1.0 111.77 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 mt -91.27 127.06 52.65 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 124.344 1.057 . . . . 1.0 110.134 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -74.82 151.54 40.61 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.749 2.3 . . . . 1.0 112.093 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -24.61 64.57 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.124 1.157 . . . . 1.0 114.124 -173.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.42 -42.96 67.57 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.564 1.146 . . . . 1.0 111.984 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.04 -35.09 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.584 0.754 . . . . 1.0 111.668 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.41 -46.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.646 0.778 . . . . 1.0 109.709 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.95 -45.13 95.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.286 1.034 . . . . 1.0 112.236 172.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.96 82.52 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.646 1.178 . . . . 1.0 112.879 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.59 -48.77 80.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.789 0.836 . . . . 1.0 111.602 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -62.73 -35.32 79.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.172 0.805 . . . . 1.0 113.172 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.57 95.21 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.16 -0.962 . . . . 1.0 111.595 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.84 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.208 -0.933 . . . . 1.0 113.154 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.0 p -79.24 -34.37 42.81 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.774 1.027 . . . . 1.0 113.774 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.8 tp -84.47 -50.63 7.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.214 1.006 . . . . 1.0 112.75 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 113.646 0.98 . . . . 1.0 113.646 -172.761 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 111.912 0.338 . . . . 1.0 111.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 m -60.17 -43.25 95.97 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.561 0.745 . . . . 1.0 111.168 170.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.55 97.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.542 0.737 . . . . 1.0 112.253 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.24 91.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.302 0.641 . . . . 1.0 112.314 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.98 -33.97 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.847 0.859 . . . . 1.0 111.412 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -64.99 -45.9 83.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.116 0.967 . . . . 1.0 111.378 171.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -62.16 -42.5 99.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.82 0.848 . . . . 1.0 112.258 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -56.58 -50.68 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.552 -0.718 . . . . 1.0 111.606 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.59 90.07 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.261 -0.899 . . . . 1.0 112.151 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -53.43 -45.05 69.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.935 1.694 . . . . 1.0 111.885 171.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -81.96 -15.53 53.47 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.826 1.251 . . . . 1.0 114.062 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -107.03 11.96 29.13 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.384 1.473 . . . . 1.0 113.32 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.28 20.03 60.32 Favored Glycine 0 CA--C 1.539 1.534 0 O-C-N 120.954 -1.092 . . . . 1.0 115.219 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -90.52 148.43 22.73 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.926 1.29 . . . . 1.0 111.659 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -68.82 143.28 54.63 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.646 0.778 . . . . 1.0 111.69 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -156.55 149.87 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.216 1.406 . . . . 1.0 110.623 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 p -70.24 147.04 50.23 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.078 0.951 . . . . 1.0 112.808 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.7 p -86.83 -28.46 22.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.287 1.035 . . . . 1.0 113.564 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -137.64 157.19 47.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.962 2.105 . . . . 1.0 110.932 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.45 -160.48 53.61 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.095 0.855 . . . . 1.0 113.581 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -80.35 158.25 26.11 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.318 1.047 . . . . 1.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.1 mt -83.6 139.18 40.92 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.528 1.531 . . . . 1.0 110.829 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.94 146.93 54.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.566 2.178 . . . . 1.0 112.064 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.32 63.75 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.761 1.393 . . . . 1.0 114.761 -169.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.94 -37.99 77.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.971 0.908 . . . . 1.0 112.59 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.81 -33.93 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.518 0.727 . . . . 1.0 111.635 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.71 -43.89 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.632 0.773 . . . . 1.0 110.197 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.37 -43.99 97.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.307 1.043 . . . . 1.0 112.136 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.01 87.31 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.235 1.014 . . . . 1.0 112.781 174.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -59.88 -48.25 82.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 1.0 111.852 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -64.38 -36.95 85.8 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.928 0.714 . . . . 1.0 112.928 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.2 95.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.221 1.373 . . . . 1.0 111.581 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.32 -30.32 71.07 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.237 1.199 . . . . 1.0 114.237 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.8 p -96.43 -32.48 12.31 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.294 1.22 . . . . 1.0 114.294 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.19 -37.89 44.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.794 1.238 . . . . 1.0 112.24 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 123.572 0.749 . . . . 1.0 110.878 176.835 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 111.946 0.351 . . . . 1.0 111.946 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 71.0 m -64.0 -44.09 93.7 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.037 0.935 . . . . 1.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.03 91.66 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.512 1.125 . . . . 1.0 112.321 173.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.47 95.38 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.682 0.673 . . . . 1.0 112.594 174.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.5 mt -66.96 -41.13 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.774 0.83 . . . . 1.0 110.808 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -61.52 -47.54 85.14 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.341 1.057 . . . . 1.0 111.447 174.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.29 -45.7 90.18 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.491 0.716 . . . . 1.0 111.755 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -55.57 -45.42 77.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.824 0.849 . . . . 1.0 111.652 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.76 96.1 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.672 -0.642 . . . . 1.0 111.596 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -61.7 -43.34 99.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.018 0.927 . . . . 1.0 112.238 173.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.38 -31.16 72.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.562 1.145 . . . . 1.0 113.217 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -94.28 -2.72 51.84 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.006 1.322 . . . . 1.0 114.115 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.94 20.39 74.51 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.549 1.071 . . . . 1.0 114.775 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -86.87 147.28 25.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 1.0 111.249 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -66.51 129.62 40.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.532 0.733 . . . . 1.0 111.404 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -155.18 151.47 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.267 1.427 . . . . 1.0 110.806 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -69.54 150.41 47.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.781 -0.574 . . . . 1.0 111.955 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -74.47 -42.02 59.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.763 0.825 . . . . 1.0 112.033 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -138.52 -11.37 1.38 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 115.894 1.813 . . . . 1.0 115.894 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.93 -179.66 53.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.627 1.108 . . . . 1.0 113.425 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -62.65 135.78 57.55 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.107 0.963 . . . . 1.0 110.983 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 mt -78.32 133.58 63.91 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 123.49 0.716 . . . . 1.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.38 145.29 76.94 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.785 2.324 . . . . 1.0 112.562 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.64 66.19 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.82 -44.1 69.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 1.0 111.797 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.98 -35.22 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.087 0.955 . . . . 1.0 111.694 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.83 -45.53 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.137 0.575 . . . . 1.0 110.146 172.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.99 -44.25 97.12 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.928 0.891 . . . . 1.0 112.327 172.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.79 82.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.417 1.087 . . . . 1.0 112.537 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.1 -44.01 98.01 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.883 1.273 . . . . 1.0 112.152 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -67.45 -39.46 85.37 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.219 0.822 . . . . 1.0 113.219 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.91 -38.22 69.94 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.352 0.978 . . . . 1.0 112.574 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.88 -30.42 61.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.192 1.397 . . . . 1.0 114.105 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.2 p -108.23 -21.44 12.77 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.992 1.317 . . . . 1.0 114.166 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.0 tp -87.1 -34.82 18.99 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.107 1.363 . . . . 1.0 113.791 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 120.411 0.148 . . . . 1.0 111.341 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -61.87 -42.89 99.6 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.945 0.898 . . . . 1.0 111.701 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.03 95.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.428 1.091 . . . . 1.0 112.471 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.45 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.781 0.718 . . . . 1.0 112.337 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.47 -43.72 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.704 0.801 . . . . 1.0 110.944 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -62.9 -47.43 83.32 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.735 0.814 . . . . 1.0 112.316 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.58 -41.36 96.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.705 0.684 . . . . 1.0 112.531 177.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -55.84 -47.59 76.98 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.56 -0.713 . . . . 1.0 111.595 170.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.72 91.47 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.386 -0.821 . . . . 1.0 112.064 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -61.37 -41.4 97.02 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.185 1.394 . . . . 1.0 112.148 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -69.83 -28.77 65.97 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.517 1.127 . . . . 1.0 113.699 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -94.26 -3.75 50.09 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.661 1.184 . . . . 1.0 114.091 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.7 20.2 75.57 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.378 0.989 . . . . 1.0 114.518 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -89.0 146.12 25.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.793 1.237 . . . . 1.0 111.438 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.31 132.45 48.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.584 0.754 . . . . 1.0 111.531 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.49 149.11 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.814 1.245 . . . . 1.0 111.191 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -71.25 155.94 40.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.067 0.947 . . . . 1.0 111.913 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 p -92.77 -53.94 3.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.822 . . . . 1.0 113.046 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -116.55 -22.63 8.6 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.84 -164.53 29.51 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.519 1.057 . . . . 1.0 114.085 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -69.35 143.27 53.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.223 1.009 . . . . 1.0 110.615 170.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.5 mt -72.63 137.33 80.38 Favored Pre-proline 0 N--CA 1.481 1.087 0 CA-C-O 118.697 -0.668 . . . . 1.0 110.079 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -67.3 139.76 50.99 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.773 2.316 . . . . 1.0 112.165 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.17 -28.56 69.75 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.866 1.061 . . . . 1.0 113.866 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -62.89 -31.28 72.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.827 0.74 . . . . 1.0 112.461 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.11 -36.33 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 123.665 0.786 . . . . 1.0 111.312 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mt -61.72 -47.26 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.333 0.653 . . . . 1.0 110.215 171.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.59 -44.57 96.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.143 0.977 . . . . 1.0 112.379 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.07 87.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.823 1.249 . . . . 1.0 112.952 175.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.33 -47.59 81.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.815 0.846 . . . . 1.0 111.498 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -61.39 -38.22 86.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.92 0.711 . . . . 1.0 112.92 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.57 95.78 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.284 0.947 . . . . 1.0 111.857 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.43 -40.26 85.47 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.991 0.917 . . . . 1.0 113.315 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 -36.42 37.61 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.62 0.971 . . . . 1.0 113.62 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.7 tp -81.85 -34.89 29.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.483 1.113 . . . . 1.0 112.624 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 126.919 2.088 . . . . 1.0 113.39 176.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.677 0.251 . . . . 1.0 111.677 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.8 m -63.81 -45.87 87.71 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.515 -0.74 . . . . 1.0 111.287 174.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.16 83.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.316 -0.865 . . . . 1.0 112.185 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.1 89.83 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.713 -0.617 . . . . 1.0 112.616 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -67.1 -42.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.894 0.77 . . . . 1.0 111.256 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -64.3 -42.91 96.13 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.672 -0.642 . . . . 1.0 111.728 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.07 -48.21 82.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.822 0.849 . . . . 1.0 111.593 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -55.78 -45.64 78.13 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.304 1.042 . . . . 1.0 112.004 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.04 97.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.213 0.605 . . . . 1.0 111.89 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.07 -42.01 97.13 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.856 0.863 . . . . 1.0 112.58 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -66.82 -28.17 68.15 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.258 1.423 . . . . 1.0 113.583 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -98.06 3.77 49.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.584 1.154 . . . . 1.0 113.878 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.98 20.85 75.04 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.601 1.096 . . . . 1.0 114.998 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.55 155.38 25.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.742 1.217 . . . . 1.0 111.89 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -67.92 121.83 16.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.559 0.744 . . . . 1.0 110.981 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 p -151.57 141.29 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.208 1.403 . . . . 1.0 110.984 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.1 m -67.46 125.26 25.57 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.317 1.047 . . . . 1.0 110.685 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -76.75 -21.95 54.49 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -125.6 160.08 30.53 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.74 2.016 . . . . 1.0 110.885 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.04 -154.43 52.83 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.1 0.857 . . . . 1.0 114.391 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 159.89 31.93 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.121 1.368 . . . . 1.0 112.174 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -96.54 142.58 24.75 Favored Pre-proline 0 N--CA 1.479 0.996 0 C-N-CA 125.329 1.452 . . . . 1.0 110.474 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.07 133.26 34.89 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.531 2.821 . . . . 1.0 112.462 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.16 66.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.957 -1.089 . . . . 1.0 113.543 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.29 -39.56 90.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.035 0.934 . . . . 1.0 112.725 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.83 -29.36 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 121.879 -0.513 . . . . 1.0 112.196 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.4 mt -65.04 -44.21 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.505 0.722 . . . . 1.0 110.358 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.89 -43.37 98.98 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.104 -0.998 . . . . 1.0 111.938 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.97 86.56 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.727 0.811 . . . . 1.0 112.739 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.05 -48.55 81.21 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.411 0.684 . . . . 1.0 111.367 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -62.93 -37.41 86.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.499 -0.751 . . . . 1.0 112.59 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.46 87.52 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.242 -0.911 . . . . 1.0 112.2 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.76 -41.34 75.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.361 1.064 . . . . 1.0 113.692 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.3 p -81.24 -36.65 29.72 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.113 1.153 . . . . 1.0 114.113 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 mt -88.37 -21.54 24.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.576 1.15 . . . . 1.0 112.902 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.3 12.7 pt-20 . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 127.554 2.342 . . . . 1.0 114.897 174.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 112.292 0.478 . . . . 1.0 112.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.7 p -66.13 -42.7 88.76 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.448 -0.783 . . . . 1.0 111.728 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.15 93.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.051 0.842 . . . . 1.0 112.648 172.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.88 91.24 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.798 0.726 . . . . 1.0 112.593 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.9 -45.5 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.838 0.855 . . . . 1.0 110.598 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -59.65 -50.92 71.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.135 0.974 . . . . 1.0 111.137 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -65.57 -41.2 93.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.562 0.619 . . . . 1.0 112.524 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -56.28 -49.75 73.33 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.733 0.697 . . . . 1.0 111.576 170.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.35 96.86 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.667 . . . . 1.0 112.078 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -62.9 -43.16 99.53 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.877 1.671 . . . . 1.0 112.25 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -75.87 -21.6 57.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 1.0 113.669 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -92.04 4.43 53.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.645 1.178 . . . . 1.0 113.638 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.72 77.26 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.586 1.089 . . . . 1.0 115.225 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.21 151.48 28.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.579 1.152 . . . . 1.0 111.353 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -70.03 118.14 12.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.45 0.7 . . . . 1.0 111.533 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.3 p -150.91 146.14 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.173 1.389 . . . . 1.0 110.835 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -74.82 153.29 38.79 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.451 0.643 . . . . 1.0 112.547 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.7 p -83.47 -17.43 42.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.888 1.275 . . . . 1.0 113.156 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -141.54 -26.19 0.69 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.859 1.8 . . . . 1.0 115.859 -174.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.04 -176.31 50.73 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.989 1.281 . . . . 1.0 113.978 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -72.52 154.38 40.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.247 1.019 . . . . 1.0 111.765 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -85.48 138.32 36.14 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 1.0 109.798 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.83 139.99 65.07 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.605 2.203 . . . . 1.0 112.096 175.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.74 70.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.169 0.803 . . . . 1.0 113.169 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.81 -36.39 78.92 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.702 0.801 . . . . 1.0 112.386 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -78.99 -35.01 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.563 1.145 . . . . 1.0 111.71 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mt -60.95 -45.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.546 -0.721 . . . . 1.0 110.412 169.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -42.69 99.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.938 0.895 . . . . 1.0 112.523 172.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.92 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.466 1.107 . . . . 1.0 112.412 174.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -65.22 -44.96 86.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.314 1.046 . . . . 1.0 111.808 174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.12 -37.89 81.39 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.041 -1.037 . . . . 1.0 112.399 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.12 52.74 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.972 0.806 . . . . 1.0 110.983 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.86 75.85 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.796 1.036 . . . . 1.0 113.796 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 45.0 p -85.26 -11.28 55.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.6 mt -123.4 -42.07 2.25 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.601 1.091 . . . . 1.0 113.78 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 125.132 1.373 . . . . 1.0 114.32 -173.723 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 111.658 0.244 . . . . 1.0 111.658 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 m -64.4 -15.04 59.79 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.409 1.484 . . . . 1.0 114.0 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.73 -47.19 4.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.237 1.815 . . . . 1.0 112.33 169.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.98 96.17 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.938 0.895 . . . . 1.0 113.211 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.04 -36.53 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.727 -0.608 . . . . 1.0 110.438 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -66.61 -44.39 82.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.222 1.009 . . . . 1.0 111.851 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.39 -46.84 86.79 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.702 0.683 . . . . 1.0 111.367 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -53.83 -47.45 70.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.868 1.267 . . . . 1.0 112.164 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.91 97.0 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 1.0 112.481 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -66.42 -37.34 84.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.125 0.97 . . . . 1.0 112.33 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -66.07 -40.85 91.22 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.816 1.246 . . . . 1.0 112.551 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -99.39 -3.24 34.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.83 58.99 Favored Glycine 0 CA--C 1.537 1.447 0 N-CA-C 116.406 1.322 . . . . 1.0 116.406 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -76.48 143.21 40.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.517 1.658 . . . . 1.0 111.509 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -70.17 128.39 36.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 1.0 111.435 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.65 145.13 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.006 1.322 . . . . 1.0 110.752 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -71.32 147.08 48.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.139 0.576 . . . . 1.0 112.207 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -77.61 -14.92 59.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.765 1.226 . . . . 1.0 113.597 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -138.9 -32.17 0.69 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.809 1.411 . . . . 1.0 114.809 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.67 -170.29 37.49 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.063 1.316 . . . . 1.0 114.284 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -74.29 159.9 31.81 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.62 1.168 . . . . 1.0 112.029 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.4 mt -82.9 138.92 42.99 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.266 1.026 . . . . 1.0 109.824 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.25 138.15 50.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.432 2.088 . . . . 1.0 112.127 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.36 -31.61 71.5 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.27 -36.04 74.81 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.563 0.745 . . . . 1.0 112.408 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -79.64 -34.64 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 124.507 1.123 . . . . 1.0 111.509 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.6 mt -61.45 -44.64 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.418 -0.801 . . . . 1.0 110.386 169.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -61.93 -43.26 99.22 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.875 0.87 . . . . 1.0 112.101 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.81 84.98 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.429 1.092 . . . . 1.0 112.461 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.37 -49.88 75.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.234 1.013 . . . . 1.0 111.513 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -62.06 -36.11 80.66 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.911 0.708 . . . . 1.0 112.911 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.85 92.71 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.384 0.993 . . . . 1.0 110.908 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.53 87.91 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.699 0.999 . . . . 1.0 113.699 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 -31.49 43.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.714 1.005 . . . . 1.0 113.714 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.7 tp -87.84 -48.38 7.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.418 1.087 . . . . 1.0 113.699 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.383 0.883 . . . . 1.0 113.383 -174.356 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 113.566 0.95 . . . . 1.0 113.566 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -59.53 -50.96 71.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.244 -0.91 . . . . 1.0 111.772 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.56 84.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.443 1.097 . . . . 1.0 112.477 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.71 95.33 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.63 -0.669 . . . . 1.0 112.22 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.32 -38.68 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.625 0.77 . . . . 1.0 110.88 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -57.27 -49.24 76.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.491 1.116 . . . . 1.0 111.15 172.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.16 -45.9 79.3 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.493 0.717 . . . . 1.0 111.683 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -56.8 -43.05 80.57 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.143 0.977 . . . . 1.0 112.285 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.66 99.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.106 0.963 . . . . 1.0 111.97 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -64.24 -42.88 96.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.305 1.042 . . . . 1.0 112.016 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.28 -34.61 78.06 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.176 1.39 . . . . 1.0 112.919 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -97.96 1.98 48.52 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.169 1.174 . . . . 1.0 114.169 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.36 21.82 77.47 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.284 0.945 . . . . 1.0 114.976 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -78.8 156.9 28.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.485 1.114 . . . . 1.0 111.873 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -75.42 105.48 6.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.703 0.801 . . . . 1.0 111.501 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.18 144.12 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.845 1.658 . . . . 1.0 110.871 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -68.41 154.28 42.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.068 0.547 . . . . 1.0 111.107 171.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.2 p -76.21 -22.27 55.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.347 1.059 . . . . 1.0 113.269 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -144.87 -23.16 0.5 Allowed 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.293 1.96 . . . . 1.0 116.293 -173.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.03 -171.59 38.0 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.827 1.204 . . . . 1.0 113.535 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.22 154.39 41.4 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.064 0.946 . . . . 1.0 111.96 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.02 137.83 33.0 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.389 1.076 . . . . 1.0 109.224 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.11 137.95 50.11 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.41 2.073 . . . . 1.0 112.076 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.51 68.94 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.099 0.778 . . . . 1.0 113.099 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.43 -36.51 78.37 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.918 0.887 . . . . 1.0 112.492 173.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.07 -34.36 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.471 1.108 . . . . 1.0 111.56 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.86 -45.29 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.565 -0.709 . . . . 1.0 110.501 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.55 -43.24 99.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.018 0.927 . . . . 1.0 112.207 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.36 80.52 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.328 1.051 . . . . 1.0 112.515 173.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.89 -48.89 78.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.903 0.881 . . . . 1.0 111.142 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.25 -36.89 83.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.37 97.52 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.401 -0.812 . . . . 1.0 112.028 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.85 86.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.382 1.073 . . . . 1.0 113.432 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.3 p -80.14 -38.58 31.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -83.96 -29.68 26.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.569 1.147 . . . . 1.0 112.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.822 2.049 . . . . 1.0 114.163 171.208 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.425 1.269 . . . . 1.0 114.425 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.4 m -51.07 -41.94 60.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.447 1.476 . . . . 1.0 112.642 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.95 90.65 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.037 -1.039 . . . . 1.0 112.683 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.14 90.68 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.542 0.737 . . . . 1.0 111.877 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.33 -44.09 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.231 1.412 . . . . 1.0 110.638 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -64.71 -45.59 85.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.975 0.91 . . . . 1.0 111.746 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.03 -45.29 89.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.393 0.677 . . . . 1.0 111.618 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -54.53 -45.76 73.42 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.137 0.975 . . . . 1.0 111.648 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.23 97.2 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.653 -0.654 . . . . 1.0 111.665 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.077 0.951 . . . . 1.0 112.443 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.22 -34.65 78.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.725 1.21 . . . . 1.0 113.032 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.03 -6.74 55.23 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.63 75.32 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.299 0.952 . . . . 1.0 114.097 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -81.77 149.84 28.21 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.729 1.212 . . . . 1.0 111.378 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.07 131.28 49.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.638 0.775 . . . . 1.0 111.019 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.58 156.48 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.639 1.176 . . . . 1.0 111.105 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.9 p -71.68 -20.78 61.88 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.496 1.665 . . . . 1.0 115.496 -172.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.277 46.5 p 53.24 24.25 3.63 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.92 2.088 . . . . 1.0 114.238 -169.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -133.5 177.77 7.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.065 2.146 . . . . 1.0 112.077 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.24 96.15 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.069 1.318 . . . . 1.0 114.056 -176.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -83.72 143.44 30.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.832 1.253 . . . . 1.0 110.826 171.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -127.3 141.52 41.07 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.648 1.579 . . . . 1.0 109.891 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.88 143.63 67.43 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.536 2.158 . . . . 1.0 112.607 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.294 0.85 . . . . 1.0 113.294 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.71 -43.4 68.99 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.257 1.023 . . . . 1.0 112.009 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.06 -36.36 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 124.122 0.969 . . . . 1.0 111.577 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 mt -60.3 -46.76 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.169 0.588 . . . . 1.0 110.189 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.11 -42.81 99.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.537 1.135 . . . . 1.0 112.444 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.85 89.06 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.474 1.11 . . . . 1.0 112.543 176.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.61 -47.18 82.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.961 0.905 . . . . 1.0 111.452 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -58.38 -39.6 80.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.981 0.809 . . . . 1.0 112.478 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.29 96.83 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.889 0.768 . . . . 1.0 111.473 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.09 93.65 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -80.78 -27.75 36.59 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -99.9 -39.37 8.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.472 1.109 . . . . 1.0 113.96 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 122.193 0.997 . . . . 1.0 110.771 -173.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 . . . . . 0 N--CA 1.47 0.552 0 N-CA-C 111.505 0.187 . . . . 1.0 111.505 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 p -62.21 -43.05 99.7 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.871 -0.518 . . . . 1.0 111.685 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.488 0.715 . . . . 1.0 112.846 174.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.73 96.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.373 0.669 . . . . 1.0 112.293 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.06 -38.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.648 0.779 . . . . 1.0 110.911 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -60.1 -48.91 79.76 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.68 0.673 . . . . 1.0 111.039 172.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.65 -47.79 84.66 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.385 0.674 . . . . 1.0 111.462 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -55.7 -47.62 76.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.919 1.288 . . . . 1.0 112.108 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.58 99.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.876 0.87 . . . . 1.0 112.523 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.34 -42.89 98.96 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.786 0.834 . . . . 1.0 111.904 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -67.5 -33.88 75.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.28 1.432 . . . . 1.0 113.107 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -96.2 7.82 45.44 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.872 1.434 . . . . 1.0 114.872 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.87 16.98 71.24 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.825 1.49 . . . . 1.0 116.825 169.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -96.31 137.93 34.66 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.302 1.551 . . . . 1.0 112.011 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -72.2 135.25 46.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.885 0.874 . . . . 1.0 111.493 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -148.02 148.68 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.694 1.597 . . . . 1.0 111.869 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 m -65.34 146.78 54.47 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.701 1.2 . . . . 1.0 112.083 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.7 p -83.87 -62.04 1.67 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.043 0.937 . . . . 1.0 113.155 -169.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -73.46 -36.05 65.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.059 0.943 . . . . 1.0 113.135 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.36 -162.53 30.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.761 1.648 . . . . 1.0 112.106 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 52.9 47.68 24.13 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.486 1.515 . . . . 1.0 113.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.7 mt -64.38 143.52 98.48 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 124.277 1.031 . . . . 1.0 109.315 171.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.2 138.8 57.68 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.038 1.825 . . . . 1.0 112.193 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.97 -28.78 69.25 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.214 0.82 . . . . 1.0 113.214 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.87 -38.05 81.08 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.885 0.874 . . . . 1.0 112.384 172.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.74 -36.09 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.312 1.045 . . . . 1.0 111.394 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.22 -45.45 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.567 -0.708 . . . . 1.0 110.749 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.67 -43.29 99.14 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.222 1.009 . . . . 1.0 112.123 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.06 81.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.364 1.066 . . . . 1.0 112.516 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.5 -50.46 73.47 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.007 0.923 . . . . 1.0 111.529 172.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -63.01 -33.98 76.57 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.84 85.82 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.019 -1.051 . . . . 1.0 111.392 172.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.66 73.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.282 1.033 . . . . 1.0 113.474 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.7 p -86.24 -38.86 17.17 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.413 1.264 . . . . 1.0 114.413 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.3 tp -102.24 -30.8 10.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.658 1.725 . . . . 1.0 115.658 -169.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 N--CA 1.475 0.821 0 CA-C-N 119.412 1.005 . . . . 1.0 111.56 -171.543 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 111.885 0.328 . . . . 1.0 111.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.91 -175.71 50.04 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.315 0.959 . . . . 1.0 114.534 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.1 m -69.92 149.43 47.82 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.704 1.202 . . . . 1.0 112.901 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.6 -164.9 31.32 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 124.157 0.884 . . . . 1.0 113.48 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -66.15 -18.77 65.56 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.663 1.357 . . . . 1.0 114.663 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.02 -13.04 46.51 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.157 1.361 . . . . 1.0 115.221 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -64.99 -24.88 67.64 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.495 1.118 . . . . 1.0 113.189 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.1 9.19 80.12 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.932 1.253 . . . . 1.0 115.61 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.39 146.46 42.95 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.608 1.204 . . . . 1.0 112.766 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.5 mm -107.26 153.41 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 125.931 1.693 . . . . 1.0 110.492 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -86.37 -43.04 13.18 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.223 1.009 . . . . 1.0 112.753 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -99.76 41.03 1.18 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.379 1.872 . . . . 1.0 111.161 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.16 -13.94 42.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.255 1.822 . . . . 1.0 114.995 -169.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -61.65 -13.81 25.63 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.16 -0.962 . . . . 1.0 112.716 169.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -50.64 -43.73 57.2 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.955 -1.091 . . . . 1.0 112.371 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.235 1.014 . . . . 1.0 112.691 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -38.52 79.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.656 0.782 . . . . 1.0 112.148 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.56 -39.64 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.722 0.809 . . . . 1.0 111.009 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -59.3 -48.03 83.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.28 1.032 . . . . 1.0 111.181 172.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.9 -46.11 89.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.424 0.69 . . . . 1.0 111.667 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -56.69 -45.7 81.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.084 0.954 . . . . 1.0 112.148 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.468 0.707 . . . . 1.0 111.594 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -61.98 -45.85 91.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.256 1.022 . . . . 1.0 112.043 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -60.3 -31.82 70.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.877 1.271 . . . . 1.0 112.849 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -93.71 2.27 56.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.703 1.201 . . . . 1.0 113.818 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.69 18.38 73.93 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.649 1.118 . . . . 1.0 115.032 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -84.66 150.34 25.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.144 1.378 . . . . 1.0 111.574 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -69.52 125.97 28.31 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.676 0.79 . . . . 1.0 111.27 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.31 147.89 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.38 1.472 . . . . 1.0 110.666 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 t -73.09 155.06 40.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.143 0.497 . . . . 1.0 112.007 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.9 p -72.65 -34.44 67.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.001 0.92 . . . . 1.0 112.838 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -138.08 164.78 28.25 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.448 1.899 . . . . 1.0 111.63 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.07 -151.98 44.74 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.024 0.821 . . . . 1.0 113.953 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.95 154.58 41.1 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.61 1.164 . . . . 1.0 113.167 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.4 mt -109.72 145.25 31.58 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 126.467 1.907 . . . . 1.0 109.233 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.58 138.93 61.64 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.107 1.872 . . . . 1.0 111.787 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -28.35 68.64 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.039 0.755 . . . . 1.0 113.039 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.17 -35.62 77.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.004 0.921 . . . . 1.0 112.696 172.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.66 -34.49 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.527 1.131 . . . . 1.0 111.218 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.54 -43.91 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.437 -0.79 . . . . 1.0 110.725 170.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.35 -43.38 98.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.382 1.073 . . . . 1.0 112.202 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.37 85.91 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.324 1.05 . . . . 1.0 112.528 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -63.03 -48.01 80.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.252 1.021 . . . . 1.0 111.46 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -60.0 -38.25 82.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.647 -0.658 . . . . 1.0 112.734 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.54 98.62 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.273 -0.892 . . . . 1.0 111.519 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.89 97.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.573 0.749 . . . . 1.0 113.019 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.1 p -78.63 -24.77 45.1 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -97.28 -45.75 6.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.547 1.139 . . . . 1.0 113.625 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -86.26 -22.08 27.02 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 -169.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -63.83 -17.21 62.9 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.253 1.205 . . . . 1.0 114.253 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -115.85 26.45 9.98 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.727 2.011 . . . . 1.0 113.43 171.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -141.11 -46.91 0.39 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.527 1.531 . . . . 1.0 114.465 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -125.64 33.46 5.1 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.82 1.648 . . . . 1.0 112.52 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -146.71 153.52 40.35 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.354 1.862 . . . . 1.0 111.341 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.773 1.629 . . . . 1.0 112.092 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 119.353 -0.356 . . . . 1.0 111.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.68 -171.25 52.05 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.881 1.229 . . . . 1.0 114.359 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.6 p -146.5 159.57 43.24 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.377 1.471 . . . . 1.0 112.686 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.37 169.5 54.04 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.431 1.015 . . . . 1.0 114.557 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -74.67 -19.01 60.44 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.211 1.189 . . . . 1.0 114.211 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.72 -28.95 1.54 Allowed Glycine 0 CA--C 1.538 1.529 0 C-N-CA 126.266 1.888 . . . . 1.0 115.975 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -130.56 164.36 25.06 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.534 2.333 . . . . 1.0 110.784 174.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.73 141.81 40.9 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.753 0.692 . . . . 1.0 112.989 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.72 159.94 43.64 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.368 1.467 . . . . 1.0 111.745 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.9 mt -67.25 137.49 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.669 0.787 . . . . 1.0 110.424 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -112.11 -39.17 4.55 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.05 1.34 . . . . 1.0 111.934 170.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -148.28 -17.29 0.34 Allowed 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 114.785 1.402 . . . . 1.0 114.785 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -46.2 -56.41 5.76 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.614 1.966 . . . . 1.0 116.184 -168.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -68.87 -37.91 79.38 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.463 1.029 . . . . 1.0 112.252 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m -64.13 -43.64 94.63 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.194 0.998 . . . . 1.0 111.042 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.319 1.047 . . . . 1.0 111.957 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.29 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.272 0.942 . . . . 1.0 112.321 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.84 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.884 0.873 . . . . 1.0 111.11 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -57.58 -50.35 73.41 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.859 0.863 . . . . 1.0 110.975 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -34.88 78.5 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.933 0.893 . . . . 1.0 112.869 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -65.87 -47.83 73.56 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.455 1.102 . . . . 1.0 111.567 169.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.46 96.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.829 0.852 . . . . 1.0 112.439 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.71 1.204 . . . . 1.0 112.72 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -75.42 -24.3 57.08 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.675 1.19 . . . . 1.0 113.749 177.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -96.65 0.9 50.5 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.919 1.287 . . . . 1.0 113.721 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.13 22.2 78.92 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.556 1.074 . . . . 1.0 114.76 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -93.67 151.01 19.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.881 1.273 . . . . 1.0 112.081 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -70.46 123.07 20.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.798 0.839 . . . . 1.0 112.192 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -156.38 144.32 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.766 1.626 . . . . 1.0 110.711 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -68.95 153.03 44.51 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.45 1.1 . . . . 1.0 112.244 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -67.85 -30.0 69.28 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 121.037 -1.039 . . . . 1.0 113.308 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.44 167.37 23.79 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.374 2.269 . . . . 1.0 111.749 177.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.8 -144.48 31.36 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.026 0.822 . . . . 1.0 113.624 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.83 154.13 42.21 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.836 1.254 . . . . 1.0 113.023 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mt -121.48 139.53 29.94 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 126.307 1.843 . . . . 1.0 109.224 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.57 136.82 47.86 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.053 2.502 . . . . 1.0 112.512 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.17 67.77 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.59 0.959 . . . . 1.0 113.59 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -61.14 -40.33 93.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.157 0.983 . . . . 1.0 112.336 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 p -80.46 -29.7 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.728 -0.608 . . . . 1.0 112.388 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.19 -45.21 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.226 0.61 . . . . 1.0 110.292 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.54 -43.86 97.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.064 -1.022 . . . . 1.0 112.298 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.38 -40.62 87.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 1.0 112.651 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -61.67 -48.23 81.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.696 0.799 . . . . 1.0 111.334 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -64.01 -33.69 76.3 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.4 87.8 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.277 -0.89 . . . . 1.0 111.3 170.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.59 87.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.052 0.941 . . . . 1.0 113.237 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.0 p -77.61 -41.44 38.55 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.218 0.821 . . . . 1.0 113.218 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.88 -51.98 5.21 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.618 0.97 . . . . 1.0 113.618 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -76.66 -25.57 53.87 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.176 0.806 . . . . 1.0 113.176 -169.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.45 -22.93 67.11 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.22 0.918 . . . . 1.0 113.202 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -93.14 -2.52 55.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.759 1.624 . . . . 1.0 114.387 174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -84.39 156.18 21.95 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.889 1.275 . . . . 1.0 111.615 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -76.02 -37.0 58.9 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.37 1.248 . . . . 1.0 114.37 -171.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 57.46 177.85 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 126.639 1.976 . . . . 1.0 114.102 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 124.687 1.195 . . . . 1.0 112.543 178.081 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 112.005 0.372 . . . . 1.0 112.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.51 -24.61 66.13 Favored Glycine 0 N--CA 1.477 1.387 0 C-N-CA 124.584 1.088 . . . . 1.0 115.509 -172.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m -60.88 -18.94 59.13 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.085 1.354 . . . . 1.0 113.956 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.37 -10.86 84.5 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.458 1.028 . . . . 1.0 114.819 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -127.97 -39.97 1.73 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.443 1.497 . . . . 1.0 113.613 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.32 135.43 23.89 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 123.923 0.773 . . . . 1.0 113.456 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -70.22 -36.59 74.65 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.596 1.159 . . . . 1.0 113.009 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.28 128.74 0.77 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.244 1.402 . . . . 1.0 112.361 -171.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.64 118.64 19.49 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.98 -0.718 . . . . 1.0 111.138 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.321 11.0 tt -145.91 6.59 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 117.619 2.452 . . . . 1.0 117.619 -177.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t70 58.34 -35.43 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 129.666 3.187 . . . . 1.0 115.496 -170.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -76.72 48.42 0.56 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.176 2.991 . . . . 1.0 111.178 171.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -103.94 -6.09 21.62 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.023 2.129 . . . . 1.0 113.957 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.15 -17.6 64.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.915 0.886 . . . . 1.0 113.235 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.1 p -57.81 -39.66 78.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.175 0.99 . . . . 1.0 112.363 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.99 95.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.395 1.078 . . . . 1.0 112.047 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.84 85.55 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.396 0.678 . . . . 1.0 112.127 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.37 -42.95 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.743 0.817 . . . . 1.0 110.767 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -62.46 -45.84 91.22 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 1.0 112.171 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.98 -45.53 92.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.58 0.627 . . . . 1.0 111.773 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -55.99 -45.83 78.86 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.802 0.841 . . . . 1.0 111.863 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.9 99.3 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.548 -0.72 . . . . 1.0 111.681 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.03 -43.98 97.69 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.244 1.018 . . . . 1.0 112.16 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.3 -31.86 72.51 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.599 1.16 . . . . 1.0 113.05 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -92.39 -1.9 56.7 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.819 1.248 . . . . 1.0 114.152 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.57 19.51 72.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.186 0.898 . . . . 1.0 114.66 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -88.71 147.59 24.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.086 1.354 . . . . 1.0 111.44 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.74 135.98 50.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.137 0.575 . . . . 1.0 111.596 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -153.83 144.45 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.172 1.389 . . . . 1.0 110.661 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 t -81.35 139.79 35.13 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.777 -0.577 . . . . 1.0 111.59 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.66 -12.53 59.81 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.109 1.364 . . . . 1.0 114.039 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -130.71 159.26 37.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.862 1.665 . . . . 1.0 112.374 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 63.32 -160.58 35.67 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.551 1.072 . . . . 1.0 114.001 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.8 151.4 44.85 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.285 1.034 . . . . 1.0 112.107 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.95 142.8 60.68 Favored Pre-proline 0 N--CA 1.477 0.898 0 C-N-CA 124.478 1.111 . . . . 1.0 110.124 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.36 142.35 65.7 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.596 2.198 . . . . 1.0 112.191 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.07 -26.56 67.73 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.315 0.857 . . . . 1.0 113.315 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.6 -44.17 72.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.564 1.146 . . . . 1.0 111.96 170.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.79 -34.65 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 123.967 0.907 . . . . 1.0 111.411 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.0 mt -62.84 -47.17 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.853 -0.529 . . . . 1.0 110.406 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.4 -44.61 92.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.072 0.949 . . . . 1.0 111.9 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.16 -46.54 85.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.601 1.16 . . . . 1.0 112.981 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.69 -47.0 85.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.346 1.058 . . . . 1.0 111.306 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -63.69 -36.48 83.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.94 95.66 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.527 1.058 . . . . 1.0 111.209 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.17 82.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.963 0.905 . . . . 1.0 113.405 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.2 p -83.14 -34.29 26.08 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.877 1.066 . . . . 1.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.6 tp -92.84 -40.91 10.37 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.014 1.116 . . . . 1.0 114.014 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -87.65 153.11 21.64 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -142.87 111.71 6.42 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.018 1.327 . . . . 1.0 111.415 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.6 m170 47.96 46.37 19.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.364 1.866 . . . . 1.0 114.458 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.41 149.14 50.85 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.314 1.046 . . . . 1.0 112.372 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -65.12 150.09 48.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.61 1.164 . . . . 1.0 111.99 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -137.66 143.38 41.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.719 1.608 . . . . 1.0 110.983 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 127.061 2.145 . . . . 1.0 114.523 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.5 167.94 54.13 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.217 0.913 . . . . 1.0 114.196 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.9 m -76.53 -15.12 59.95 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.73 1.381 . . . . 1.0 114.73 -175.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.39 -157.44 52.8 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.194 0.902 . . . . 1.0 113.856 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -76.35 -21.64 55.87 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.792 1.034 . . . . 1.0 113.792 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.83 18.31 75.94 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.501 1.048 . . . . 1.0 115.361 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -83.61 151.84 25.12 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.071 1.348 . . . . 1.0 112.222 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.33 155.35 52.41 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.178 0.894 . . . . 1.0 113.649 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.57 30.8 2.33 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.652 1.181 . . . . 1.0 113.341 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.2 mt -130.38 135.24 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.423 1.489 . . . . 1.0 109.796 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -142.74 -41.71 0.32 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.848 1.055 . . . . 1.0 113.848 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.14 -23.55 51.7 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.197 1.184 . . . . 1.0 114.197 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.87 128.23 34.89 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.346 0.658 . . . . 1.0 111.182 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -67.24 -29.71 69.42 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.758 -0.589 . . . . 1.0 112.206 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -58.39 -47.21 84.6 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.874 0.869 . . . . 1.0 111.732 169.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.91 91.3 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.654 0.781 . . . . 1.0 112.183 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.59 98.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.199 0.599 . . . . 1.0 112.486 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -71.39 -39.24 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.49 0.716 . . . . 1.0 111.247 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -59.95 -48.02 83.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.045 0.839 . . . . 1.0 111.276 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -62.45 -45.35 93.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.909 0.884 . . . . 1.0 112.482 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -56.16 -48.17 76.83 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.196 0.907 . . . . 1.0 112.098 173.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.51 98.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.736 0.814 . . . . 1.0 111.73 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -60.12 -45.93 91.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.243 1.417 . . . . 1.0 112.281 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -70.79 -26.05 63.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.29 1.036 . . . . 1.0 113.459 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -92.08 1.38 57.24 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.466 1.106 . . . . 1.0 113.757 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.36 18.85 77.17 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.448 1.023 . . . . 1.0 114.861 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -84.65 150.87 24.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.942 1.297 . . . . 1.0 111.351 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.18 128.09 34.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.109 0.564 . . . . 1.0 111.336 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -154.43 144.67 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.311 1.444 . . . . 1.0 110.533 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.3 t -81.46 143.38 32.13 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.819 -0.55 . . . . 1.0 111.558 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -83.09 -18.44 39.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.805 1.242 . . . . 1.0 113.176 173.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -120.06 -36.38 3.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.287 1.435 . . . . 1.0 113.8 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.18 177.27 54.34 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.035 1.302 . . . . 1.0 113.642 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -71.77 154.56 41.23 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.437 1.095 . . . . 1.0 111.683 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.8 mt -79.7 138.44 54.39 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.012 0.925 . . . . 1.0 109.699 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.86 140.05 59.47 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.425 2.083 . . . . 1.0 111.95 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.1 -29.15 69.58 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.8 -37.18 78.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.047 0.939 . . . . 1.0 112.458 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 t -79.88 -35.32 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.745 1.218 . . . . 1.0 111.455 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.2 mt -61.29 -44.94 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.488 -0.758 . . . . 1.0 110.726 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.58 -43.73 98.32 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.138 0.975 . . . . 1.0 112.172 172.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.66 79.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.515 1.126 . . . . 1.0 112.545 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.25 -50.02 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.154 0.982 . . . . 1.0 111.416 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -63.97 -32.45 74.0 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.56 79.04 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.974 -1.079 . . . . 1.0 111.149 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.25 -33.0 73.77 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.927 1.084 . . . . 1.0 113.927 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.8 p -85.28 -45.66 11.74 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.892 1.071 . . . . 1.0 113.892 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.43 -38.13 19.01 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.19 0.905 . . . . 1.0 113.288 -172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -90.34 13.28 15.85 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.52 1.128 . . . . 1.0 113.118 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -59.54 -21.48 60.3 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.981 1.312 . . . . 1.0 114.275 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -120.45 28.4 8.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.797 2.039 . . . . 1.0 113.376 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -60.59 147.01 43.19 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.555 1.142 . . . . 1.0 112.364 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -66.78 142.0 57.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.674 1.189 . . . . 1.0 113.22 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -83.5 -28.81 28.43 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.741 1.015 . . . . 1.0 113.741 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 124.885 1.274 . . . . 1.0 111.134 172.461 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 111.858 0.318 . . . . 1.0 111.858 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.95 165.05 54.89 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.353 0.978 . . . . 1.0 114.295 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.8 p -79.58 160.94 26.24 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.878 1.271 . . . . 1.0 113.136 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.62 177.78 48.52 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.667 1.127 . . . . 1.0 113.438 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -72.36 141.09 48.77 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.724 1.209 . . . . 1.0 111.191 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 57.44 -124.77 37.05 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.089 0.852 . . . . 1.0 112.661 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -91.84 12.24 22.15 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.308 1.443 . . . . 1.0 113.543 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.99 3.93 82.46 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 124.894 1.235 . . . . 1.0 114.682 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.2 143.95 36.32 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.832 1.653 . . . . 1.0 110.648 172.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.4 mm -132.11 135.84 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.861 1.264 . . . . 1.0 111.261 -170.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -106.8 82.3 1.68 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.902 1.281 . . . . 1.0 109.347 169.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 60.13 -8.25 0.06 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 118.101 2.63 . . . . 1.0 118.101 172.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.24 -46.31 72.53 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 121.057 1.753 . . . . 1.0 112.692 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -66.98 -39.35 87.15 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.556 0.742 . . . . 1.0 111.791 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.6 m -65.95 -42.91 89.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.142 0.977 . . . . 1.0 111.346 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.86 98.15 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.22 1.008 . . . . 1.0 111.729 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.43 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.26 -41.48 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.414 0.686 . . . . 1.0 111.093 174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -62.69 -46.86 86.18 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.617 0.767 . . . . 1.0 111.774 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.78 -46.58 89.92 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.274 1.03 . . . . 1.0 111.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -56.97 -47.67 80.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.009 0.924 . . . . 1.0 112.32 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.03 95.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.388 0.675 . . . . 1.0 111.096 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -60.47 -46.27 90.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.564 1.145 . . . . 1.0 112.097 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -65.04 -28.35 69.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.733 1.213 . . . . 1.0 113.415 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -92.99 1.98 57.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.532 1.133 . . . . 1.0 113.767 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.42 17.72 74.68 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.414 1.007 . . . . 1.0 114.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -85.24 151.53 24.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.98 1.312 . . . . 1.0 111.82 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.4 137.27 52.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.353 0.661 . . . . 1.0 111.427 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.0 141.53 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.896 1.278 . . . . 1.0 110.959 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.6 m -65.23 135.79 55.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.663 1.185 . . . . 1.0 112.84 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -87.52 -20.09 26.99 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.804 1.242 . . . . 1.0 113.553 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -130.61 155.21 46.92 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.413 2.285 . . . . 1.0 110.6 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.79 -161.82 48.79 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.847 0.737 . . . . 1.0 114.266 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -75.7 146.09 40.43 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.083 1.353 . . . . 1.0 111.915 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.7 142.95 96.34 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 124.085 0.954 . . . . 1.0 109.787 174.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.65 138.76 55.36 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.29 1.993 . . . . 1.0 112.073 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.13 68.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.22 -37.16 79.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.901 0.88 . . . . 1.0 112.491 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.35 -35.57 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.467 1.107 . . . . 1.0 111.522 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.53 -46.0 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.55 -0.719 . . . . 1.0 110.454 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.61 -44.05 97.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.224 1.01 . . . . 1.0 112.328 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.25 84.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 1.0 112.634 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.47 -51.0 71.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.123 0.969 . . . . 1.0 111.224 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -62.03 -35.93 80.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.041 0.756 . . . . 1.0 113.041 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.53 89.89 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.155 0.888 . . . . 1.0 111.187 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.47 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.932 0.893 . . . . 1.0 113.409 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -78.32 -30.94 48.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.5 tp -82.35 -56.21 4.04 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.373 1.069 . . . . 1.0 112.122 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.22 96.69 6.65 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.619 0.723 . . . . 1.0 111.815 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -75.33 -5.42 44.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.504 1.298 . . . . 1.0 114.504 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -83.15 -4.15 58.08 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 114.982 1.475 . . . . 1.0 114.982 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -64.02 150.61 44.93 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.462 1.028 . . . . 1.0 112.81 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 51.13 42.41 28.67 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 126.418 1.887 . . . . 1.0 114.412 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -70.58 151.37 45.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.343 1.057 . . . . 1.0 111.986 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.705 1.602 . . . . 1.0 111.027 175.144 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 111.841 0.311 . . . . 1.0 111.841 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.3 173.18 45.22 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.525 1.06 . . . . 1.0 113.731 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m 57.14 23.45 8.59 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.846 1.795 . . . . 1.0 115.846 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.16 161.52 49.02 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.482 1.039 . . . . 1.0 113.685 176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 60.93 161.48 0.06 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 127.731 2.412 . . . . 1.0 116.167 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.24 144.74 45.0 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-N 114.929 -1.032 . . . . 1.0 110.964 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -52.09 104.54 0.09 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.738 1.615 . . . . 1.0 112.382 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.36 18.12 57.73 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.358 0.98 . . . . 1.0 114.905 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 144.25 44.18 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.582 1.191 . . . . 1.0 113.061 -171.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.6 mt -120.75 143.05 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.456 1.502 . . . . 1.0 109.744 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -95.42 -47.73 6.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.556 1.142 . . . . 1.0 111.818 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.76 43.8 1.01 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.67 1.588 . . . . 1.0 111.284 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.18 -23.67 64.88 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.909 1.283 . . . . 1.0 113.367 -169.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -60.61 -35.37 75.97 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.532 -0.73 . . . . 1.0 111.584 169.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -65.54 -43.52 89.69 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.195 -0.941 . . . . 1.0 111.297 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.61 91.96 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.543 -0.723 . . . . 1.0 112.474 174.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.89 91.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.537 0.735 . . . . 1.0 112.611 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.73 -38.48 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.642 0.777 . . . . 1.0 111.063 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -58.57 -49.63 76.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.324 1.05 . . . . 1.0 110.962 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.24 -45.78 91.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.016 0.526 . . . . 1.0 111.766 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.09 -46.57 82.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.091 0.956 . . . . 1.0 112.23 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.69 99.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.393 0.677 . . . . 1.0 111.505 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -63.32 -45.88 89.26 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.585 1.154 . . . . 1.0 111.725 174.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.01 -32.87 71.27 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.96 1.304 . . . . 1.0 113.091 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -91.99 1.49 57.16 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.734 1.214 . . . . 1.0 114.022 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.37 19.37 74.3 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.489 1.043 . . . . 1.0 114.967 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -84.2 152.0 24.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.011 1.324 . . . . 1.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.32 123.09 20.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.678 0.791 . . . . 1.0 111.13 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p -152.98 149.26 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.37 1.468 . . . . 1.0 110.875 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -70.88 149.37 46.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.236 0.541 . . . . 1.0 111.921 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 p -73.25 -37.48 66.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.848 0.859 . . . . 1.0 112.163 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -133.74 -23.21 1.83 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.137 1.375 . . . . 1.0 114.518 -173.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.4 -170.71 37.5 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.934 1.254 . . . . 1.0 114.304 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.36 154.24 42.34 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.658 1.183 . . . . 1.0 112.117 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -98.42 137.95 20.76 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 1.0 109.619 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.1 140.1 58.39 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.511 2.14 . . . . 1.0 112.172 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.73 -28.83 68.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.925 0.713 . . . . 1.0 112.925 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.5 78.63 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 1.0 112.543 172.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 t -79.59 -35.34 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.635 1.174 . . . . 1.0 111.375 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.9 mt -61.59 -45.13 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.62 -0.675 . . . . 1.0 110.673 170.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.37 -43.42 98.9 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.105 -0.997 . . . . 1.0 112.236 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.45 82.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.198 0.999 . . . . 1.0 112.604 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -60.21 -51.33 70.03 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.17 0.988 . . . . 1.0 111.095 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -62.54 -35.61 79.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.892 0.701 . . . . 1.0 112.892 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.54 96.54 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.272 -0.892 . . . . 1.0 111.815 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.29 80.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.621 0.971 . . . . 1.0 113.621 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -81.65 -27.4 34.1 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.332 1.234 . . . . 1.0 114.332 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -101.73 -44.7 5.47 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.937 0.895 . . . . 1.0 113.286 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 46.01 34.6 2.07 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.091 1.756 . . . . 1.0 113.667 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 51.4 t60 58.99 -26.01 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 128.694 2.797 . . . . 1.0 116.657 -169.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -103.48 -20.56 14.0 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.793 1.637 . . . . 1.0 115.277 -169.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -103.97 122.46 45.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.284 1.433 . . . . 1.0 111.407 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -136.85 30.1 2.82 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.234 1.414 . . . . 1.0 113.417 -174.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -131.13 160.71 33.93 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.636 1.574 . . . . 1.0 112.25 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.7 m80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.082 1.753 . . . . 1.0 111.68 178.086 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 112.034 0.383 . . . . 1.0 112.034 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.66 -18.81 79.57 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 115.385 0.914 . . . . 1.0 115.385 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 t -145.57 160.46 41.61 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.715 1.606 . . . . 1.0 111.51 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.6 175.92 46.06 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.072 1.32 . . . . 1.0 113.506 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -130.21 145.03 51.69 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.661 1.585 . . . . 1.0 112.225 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 156.27 159.81 9.64 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.973 1.749 . . . . 1.0 111.785 -174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -141.66 148.84 39.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.815 1.646 . . . . 1.0 113.121 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.59 -8.91 76.26 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.003 1.287 . . . . 1.0 115.023 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.44 165.63 23.4 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.615 1.166 . . . . 1.0 113.264 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.73 139.23 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 124.006 0.923 . . . . 1.0 110.017 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -135.21 -47.84 0.71 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.605 1.335 . . . . 1.0 114.605 -169.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -79.66 -23.1 42.74 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.813 1.042 . . . . 1.0 113.813 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.02 137.41 53.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.088 0.955 . . . . 1.0 111.918 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.28 -35.44 80.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.399 -0.813 . . . . 1.0 112.156 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 m -60.37 -42.62 96.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.451 0.7 . . . . 1.0 112.108 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.05 84.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.701 0.8 . . . . 1.0 112.263 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.3 98.82 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.171 0.588 . . . . 1.0 112.467 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.96 -42.47 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 1.0 110.972 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -58.18 -47.52 83.18 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.171 0.896 . . . . 1.0 111.923 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.49 -47.74 82.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.488 0.715 . . . . 1.0 112.215 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -57.44 -46.67 83.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.119 0.872 . . . . 1.0 111.999 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.08 91.63 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.755 0.822 . . . . 1.0 111.628 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -62.37 -43.36 99.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.223 1.009 . . . . 1.0 112.452 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -69.52 -24.89 63.8 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.188 0.995 . . . . 1.0 113.653 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.92 3.38 44.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.607 1.163 . . . . 1.0 114.013 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.68 18.75 77.52 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.586 1.088 . . . . 1.0 115.302 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -85.74 153.05 22.58 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.033 1.333 . . . . 1.0 112.027 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -73.51 122.45 22.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.929 0.892 . . . . 1.0 112.407 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -153.16 144.34 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.132 1.773 . . . . 1.0 110.088 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.8 t -90.27 147.38 23.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.448 0.699 . . . . 1.0 111.842 173.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 p -74.86 -14.01 60.62 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.66 1.184 . . . . 1.0 113.244 173.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -112.43 159.6 18.57 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.415 1.886 . . . . 1.0 111.736 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.66 -159.52 34.72 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.666 1.127 . . . . 1.0 114.646 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.57 154.2 30.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.757 1.223 . . . . 1.0 112.084 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.56 142.36 53.53 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.655 1.182 . . . . 1.0 109.776 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.21 135.61 44.07 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.339 2.693 . . . . 1.0 112.578 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.41 67.83 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.73 1.011 . . . . 1.0 113.73 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.76 -41.43 95.45 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.835 0.854 . . . . 1.0 112.518 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.9 -30.22 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 1.0 112.209 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.97 -44.79 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.241 0.617 . . . . 1.0 110.842 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.01 -44.45 96.7 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.178 0.991 . . . . 1.0 112.121 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.38 93.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.72 0.808 . . . . 1.0 112.592 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 1.0 111.835 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -61.01 -43.51 98.78 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.411 -0.806 . . . . 1.0 112.151 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.51 -47.11 87.12 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.681 1.128 . . . . 1.0 111.642 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.72 88.25 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.025 0.93 . . . . 1.0 113.351 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.6 p -88.2 -31.58 19.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.362 1.245 . . . . 1.0 114.362 -176.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.93 -39.08 10.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.279 0.945 . . . . 1.0 112.997 -175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -81.73 69.16 8.34 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.828 0.823 . . . . 1.0 111.311 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -56.31 -23.48 37.26 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.421 1.267 . . . . 1.0 114.421 -173.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -86.92 2.38 49.48 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.746 1.618 . . . . 1.0 114.519 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -61.49 147.15 46.23 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.21 1.368 . . . . 1.0 112.889 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -148.94 162.37 40.0 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.438 1.495 . . . . 1.0 111.98 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -78.28 64.18 3.34 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.429 1.492 . . . . 1.0 112.584 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.0 m80 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.587 1.955 . . . . 1.0 112.774 -170.122 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 111.93 0.345 . . . . 1.0 111.93 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.43 -164.22 54.59 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.343 0.973 . . . . 1.0 114.392 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 t -146.34 152.84 39.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.197 1.399 . . . . 1.0 112.028 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.83 154.4 53.29 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.224 1.393 . . . . 1.0 113.822 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -113.92 169.47 8.97 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.086 1.754 . . . . 1.0 112.2 -171.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.57 33.01 61.25 Favored Glycine 0 N--CA 1.477 1.386 0 C-N-CA 123.753 0.692 . . . . 1.0 113.449 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -132.1 166.11 22.52 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.222 1.809 . . . . 1.0 113.022 -173.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.45 167.28 53.94 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.118 0.866 . . . . 1.0 113.541 169.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.29 155.01 37.87 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.99 1.716 . . . . 1.0 111.528 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 mp -98.49 131.26 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.251 1.02 . . . . 1.0 109.975 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -95.49 -58.57 2.09 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.93 0.892 . . . . 1.0 110.251 169.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -144.11 0.84 1.08 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.987 2.218 . . . . 1.0 116.987 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.66 -43.84 80.76 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.795 1.035 . . . . 1.0 113.795 -169.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.23 -35.67 80.07 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.64 -0.663 . . . . 1.0 112.39 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 t -66.29 -48.48 70.25 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.985 0.914 . . . . 1.0 110.688 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.3 83.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.183 0.993 . . . . 1.0 112.684 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.54 96.75 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.569 -0.707 . . . . 1.0 112.39 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.82 -39.65 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 118.732 0.697 . . . . 1.0 111.094 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.46 -51.09 71.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.941 0.897 . . . . 1.0 111.453 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.24 -38.43 85.17 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.289 0.495 . . . . 1.0 111.982 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -57.54 -47.21 82.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.998 0.919 . . . . 1.0 111.25 169.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.32 97.12 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.55 -0.719 . . . . 1.0 112.001 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -57.48 -44.89 85.26 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.082 1.353 . . . . 1.0 111.991 173.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -69.69 -28.98 66.3 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.86 1.264 . . . . 1.0 113.615 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -90.56 -5.47 55.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.635 1.174 . . . . 1.0 113.706 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.74 18.94 79.05 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.625 1.107 . . . . 1.0 114.677 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -87.13 143.34 27.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.763 1.225 . . . . 1.0 110.833 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -66.26 131.07 45.29 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.453 0.701 . . . . 1.0 111.701 -176.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -150.49 141.49 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.872 1.269 . . . . 1.0 110.767 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.9 t -92.27 147.49 22.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.946 0.898 . . . . 1.0 112.788 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 p -99.08 -5.92 29.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.785 1.634 . . . . 1.0 113.115 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -95.49 -1.6 50.39 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.233 1.413 . . . . 1.0 114.398 -170.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.56 -163.72 27.6 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.521 1.534 . . . . 1.0 112.952 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -66.96 151.8 46.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.035 0.934 . . . . 1.0 111.839 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -72.19 131.11 85.47 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.867 0.867 . . . . 1.0 110.382 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.77 148.83 53.23 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.824 2.349 . . . . 1.0 112.259 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.92 67.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.678 1.362 . . . . 1.0 114.678 -169.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.3 -32.37 71.15 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.303 0.956 . . . . 1.0 112.582 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 t -78.73 -35.36 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 123.797 0.839 . . . . 1.0 111.515 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -42.82 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.623 0.769 . . . . 1.0 110.012 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.33 -45.07 94.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.169 0.988 . . . . 1.0 112.469 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.78 82.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.5 1.12 . . . . 1.0 112.241 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.84 -46.94 88.61 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.393 1.077 . . . . 1.0 111.237 173.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -69.46 -22.66 63.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.777 1.399 . . . . 1.0 114.777 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.19 -43.09 87.36 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.299 1.409 . . . . 1.0 110.219 169.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.66 91.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.751 0.82 . . . . 1.0 113.008 174.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 42.4 p -68.83 -36.91 78.77 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.152 0.887 . . . . 1.0 112.456 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -73.36 -44.15 59.3 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 125.088 1.355 . . . . 1.0 111.604 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -67.05 -15.26 63.61 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -68.3 -21.6 64.76 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.034 -1.041 . . . . 1.0 112.368 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -106.99 -33.93 7.34 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.797 1.639 . . . . 1.0 113.832 174.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . 0.259 32.9 p80 46.86 40.27 8.77 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 128.199 2.6 . . . . 1.0 116.395 171.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -132.15 149.38 52.41 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.535 1.534 . . . . 1.0 111.616 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -71.16 146.77 48.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.674 1.19 . . . . 1.0 112.395 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.5 m80 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.427 1.891 . . . . 1.0 111.018 177.789 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.05 178.64 48.54 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.592 1.091 . . . . 1.0 113.439 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.5 p -86.73 -2.21 58.35 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.919 1.451 . . . . 1.0 114.919 -175.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.16 -114.34 6.32 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.569 1.081 . . . . 1.0 112.646 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -58.78 -21.93 56.97 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.928 1.291 . . . . 1.0 113.275 175.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.11 -11.89 75.31 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.979 1.276 . . . . 1.0 115.514 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -71.19 150.32 45.45 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.12 1.46 . . . . 1.0 112.074 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.03 142.13 37.27 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 123.834 0.731 . . . . 1.0 112.807 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.45 32.07 1.88 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.562 1.145 . . . . 1.0 113.49 -175.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.52 145.79 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.421 1.488 . . . . 1.0 111.35 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -84.92 41.95 0.9 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.686 1.194 . . . . 1.0 112.561 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 50.11 35.52 10.27 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.199 2.2 . . . . 1.0 114.392 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.44 -29.99 71.19 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.083 -1.011 . . . . 1.0 112.892 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.86 -43.64 92.31 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.484 -0.76 . . . . 1.0 112.366 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m -64.52 -39.99 94.79 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.286 -0.884 . . . . 1.0 111.335 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.63 99.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.718 0.807 . . . . 1.0 112.156 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.16 95.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.711 0.804 . . . . 1.0 112.482 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.06 -44.93 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.33 0.652 . . . . 1.0 110.745 174.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -60.94 -47.43 86.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.681 0.793 . . . . 1.0 111.917 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.75 -46.01 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.4 0.68 . . . . 1.0 111.93 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -57.84 -45.89 85.54 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.97 0.908 . . . . 1.0 112.067 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.26 99.16 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.039 0.535 . . . . 1.0 111.434 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -62.8 -44.44 96.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.437 1.095 . . . . 1.0 112.481 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -60.75 -31.47 70.8 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.952 1.301 . . . . 1.0 112.866 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -93.06 1.57 57.18 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.816 1.247 . . . . 1.0 113.868 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 17.57 73.75 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.744 1.164 . . . . 1.0 114.914 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -85.53 147.88 26.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.003 1.321 . . . . 1.0 111.621 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.13 136.14 49.87 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.49 0.716 . . . . 1.0 110.749 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.34 145.53 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.706 1.202 . . . . 1.0 111.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.2 m -70.8 112.48 7.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.374 1.07 . . . . 1.0 111.117 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.1 p -80.7 -44.97 17.88 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.761 1.224 . . . . 1.0 112.815 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -104.81 -27.8 11.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.369 1.468 . . . . 1.0 113.536 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.03 173.83 41.66 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.16 1.362 . . . . 1.0 113.632 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 139.75 58.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.659 1.184 . . . . 1.0 111.479 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.36 137.59 83.92 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.879 0.872 . . . . 1.0 110.155 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.14 140.82 50.55 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.633 2.222 . . . . 1.0 112.16 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -28.76 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.207 0.818 . . . . 1.0 113.207 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.7 -37.97 80.31 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.9 0.88 . . . . 1.0 112.356 172.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 t -79.6 -34.58 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.971 0.908 . . . . 1.0 111.542 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.98 -45.69 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.777 -0.577 . . . . 1.0 110.531 170.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.347 1.059 . . . . 1.0 112.409 173.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.76 85.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.671 1.189 . . . . 1.0 112.495 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -64.48 -45.46 87.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.896 0.878 . . . . 1.0 111.603 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -60.71 -35.78 77.16 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.81 0.732 . . . . 1.0 112.857 175.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.21 99.63 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.09 -1.006 . . . . 1.0 111.266 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.46 88.12 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.691 -1.255 . . . . 1.0 113.306 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.4 p -79.93 -25.91 40.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.377 1.251 . . . . 1.0 114.377 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -104.94 -42.74 5.25 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.325 1.05 . . . . 1.0 113.596 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -97.05 -9.41 28.16 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.592 1.157 . . . . 1.0 113.456 -176.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.9 m80 52.89 36.9 22.88 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.674 1.589 . . . . 1.0 114.014 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.0 t60 57.54 32.23 21.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.768 2.027 . . . . 1.0 115.32 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -74.84 138.95 42.86 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.2 -0.937 . . . . 1.0 110.981 169.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.37 137.27 39.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.789 0.835 . . . . 1.0 112.019 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -153.72 166.71 31.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.814 1.646 . . . . 1.0 111.722 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.008 0.923 . . . . 1.0 111.933 169.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.907 0.384 . . . . 1.0 111.694 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.64 166.7 54.85 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.587 1.089 . . . . 1.0 114.364 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.6 m -93.76 2.86 56.14 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.661 1.184 . . . . 1.0 114.145 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.09 -168.26 47.87 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.813 1.196 . . . . 1.0 115.076 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.26 127.22 31.03 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.764 1.225 . . . . 1.0 111.201 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.97 11.11 60.3 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.334 0.969 . . . . 1.0 115.125 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 47.85 51.02 14.86 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.595 1.958 . . . . 1.0 113.357 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.12 139.81 45.76 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.579 0.609 . . . . 1.0 112.672 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.08 152.91 52.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.824 1.25 . . . . 1.0 112.56 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.3 mt -128.37 133.65 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.904 1.281 . . . . 1.0 109.45 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.34 60.06 1.01 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.308 1.443 . . . . 1.0 110.612 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 59.87 -19.63 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.801 2.84 . . . . 1.0 117.082 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.28 -37.98 68.01 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.541 1.536 . . . . 1.0 114.031 -172.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.83 -25.67 62.95 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.376 -0.827 . . . . 1.0 112.689 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 p -79.44 -41.8 26.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.564 0.62 . . . . 1.0 110.033 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.5 72.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.396 1.079 . . . . 1.0 112.745 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.41 76.02 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.353 1.061 . . . . 1.0 112.542 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.8 mt -77.31 -38.41 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.428 1.091 . . . . 1.0 110.955 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -59.59 -47.33 86.0 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.09 0.859 . . . . 1.0 110.848 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.32 -43.67 90.29 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.567 0.747 . . . . 1.0 112.125 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -57.12 -46.43 82.65 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 1.0 112.16 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.22 -39.43 93.95 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.481 -0.762 . . . . 1.0 111.797 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -67.37 -43.63 80.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.895 1.278 . . . . 1.0 110.696 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.61 -34.44 72.77 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.753 1.621 . . . . 1.0 112.649 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -90.86 3.1 55.42 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.714 1.206 . . . . 1.0 114.158 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 16.84 76.81 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.62 1.105 . . . . 1.0 115.28 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.37 148.5 25.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.194 1.398 . . . . 1.0 111.689 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.37 129.25 38.35 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.783 0.833 . . . . 1.0 111.112 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.02 149.42 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.976 1.31 . . . . 1.0 111.265 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.0 t -75.31 148.23 39.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.862 -0.524 . . . . 1.0 111.692 172.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -76.42 -23.76 53.97 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.384 1.074 . . . . 1.0 113.245 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.2 ptp85 -141.24 -23.79 0.74 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 116.418 2.007 . . . . 1.0 116.418 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.9 -175.96 45.06 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.555 1.074 . . . . 1.0 113.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -67.09 137.06 56.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.024 0.93 . . . . 1.0 111.301 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.02 139.91 46.22 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 124.101 0.961 . . . . 1.0 109.486 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.55 138.65 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.434 2.089 . . . . 1.0 112.109 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.84 -29.06 69.92 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.913 0.708 . . . . 1.0 112.913 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.15 -37.15 79.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.968 0.907 . . . . 1.0 112.279 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.63 -35.27 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.716 1.206 . . . . 1.0 111.488 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.3 mt -61.02 -45.44 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.596 -0.69 . . . . 1.0 110.627 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.83 -43.62 98.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.117 0.967 . . . . 1.0 111.885 172.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.421 1.088 . . . . 1.0 112.693 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -59.89 -50.23 74.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.542 1.137 . . . . 1.0 111.275 173.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -62.92 -37.16 85.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.943 0.72 . . . . 1.0 112.943 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.33 86.22 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.332 0.969 . . . . 1.0 112.273 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.47 78.8 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.233 1.013 . . . . 1.0 113.241 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.5 p -85.38 -35.63 21.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.7 tp -86.37 -33.75 20.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.478 1.036 . . . . 1.0 113.486 -172.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.64 110.35 2.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.647 0.779 . . . . 1.0 111.745 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -72.06 -16.21 62.03 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.975 0.91 . . . . 1.0 113.441 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.63 -23.81 61.76 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.69 0.996 . . . . 1.0 113.69 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -70.5 145.99 50.54 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.062 0.945 . . . . 1.0 111.603 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -149.26 159.99 43.78 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.413 1.485 . . . . 1.0 111.648 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -78.14 65.27 3.48 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.365 1.466 . . . . 1.0 112.559 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.568 1.947 . . . . 1.0 111.8 -170.409 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 111.948 0.351 . . . . 1.0 111.948 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.17 177.63 48.47 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.143 0.878 . . . . 1.0 113.738 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.8 m 55.75 32.26 19.11 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.102 1.761 . . . . 1.0 114.915 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.91 -118.99 16.87 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.263 0.935 . . . . 1.0 112.806 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -81.78 -6.55 59.16 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.573 1.149 . . . . 1.0 114.021 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.01 16.69 80.5 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.667 1.127 . . . . 1.0 115.398 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -92.97 -6.04 49.33 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.996 1.318 . . . . 1.0 114.356 -176.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.67 171.35 36.57 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.889 1.233 . . . . 1.0 114.489 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.17 158.88 21.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.536 1.135 . . . . 1.0 113.047 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.2 mt 48.75 61.0 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.901 2.08 . . . . 1.0 112.293 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -77.22 53.23 0.98 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.541 1.536 . . . . 1.0 111.868 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER 49.4 19.63 0.37 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 128.771 2.828 . . . . 1.0 116.724 -171.314 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.89 -49.76 55.5 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.17 -0.956 . . . . 1.0 112.279 -173.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.29 -38.8 75.09 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.477 0.547 . . . . 1.0 112.477 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -66.75 -43.0 85.25 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.577 -0.702 . . . . 1.0 111.686 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.93 91.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.018 0.826 . . . . 1.0 112.563 171.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.48 99.52 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.743 0.701 . . . . 1.0 112.583 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.35 -41.34 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.236 1.014 . . . . 1.0 111.368 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -65.61 -45.81 81.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.662 0.785 . . . . 1.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -61.87 -42.92 99.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.053 0.842 . . . . 1.0 112.571 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -55.98 -49.91 72.29 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.468 -0.77 . . . . 1.0 111.522 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.81 94.87 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.463 -0.773 . . . . 1.0 112.046 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.34 -44.32 72.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.249 1.819 . . . . 1.0 112.199 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -77.87 -24.44 48.51 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.496 1.119 . . . . 1.0 113.845 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -91.6 -6.84 51.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.514 1.126 . . . . 1.0 113.869 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.0 20.37 78.87 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.238 0.923 . . . . 1.0 114.204 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.71 147.24 27.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.611 1.164 . . . . 1.0 111.129 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -65.9 125.8 26.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.54 0.736 . . . . 1.0 111.735 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.29 148.06 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.753 1.621 . . . . 1.0 110.053 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 t -68.17 141.27 56.06 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.662 -0.649 . . . . 1.0 111.0 172.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -78.14 -20.13 52.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.409 1.083 . . . . 1.0 113.845 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.17 -31.81 0.97 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.321 1.23 . . . . 1.0 114.321 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.92 -173.23 43.27 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.911 1.243 . . . . 1.0 114.229 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -71.34 157.15 38.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.673 1.189 . . . . 1.0 111.77 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 mt -91.27 127.06 52.65 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 124.344 1.057 . . . . 1.0 110.134 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -74.82 151.54 40.61 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.749 2.3 . . . . 1.0 112.093 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -24.61 64.57 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.124 1.157 . . . . 1.0 114.124 -173.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.42 -42.96 67.57 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.564 1.146 . . . . 1.0 111.984 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.04 -35.09 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.584 0.754 . . . . 1.0 111.668 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.41 -46.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.646 0.778 . . . . 1.0 109.709 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.95 -45.13 95.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.286 1.034 . . . . 1.0 112.236 172.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.96 82.52 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.646 1.178 . . . . 1.0 112.879 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.59 -48.77 80.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.789 0.836 . . . . 1.0 111.602 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -62.73 -35.32 79.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.172 0.805 . . . . 1.0 113.172 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.57 95.21 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.16 -0.962 . . . . 1.0 111.595 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.84 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.208 -0.933 . . . . 1.0 113.154 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.0 p -79.24 -34.37 42.81 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.774 1.027 . . . . 1.0 113.774 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.8 tp -84.47 -50.63 7.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.214 1.006 . . . . 1.0 112.75 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -99.71 -37.92 8.91 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.646 0.98 . . . . 1.0 113.646 -172.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . 0.316 1.2 p-80 55.16 -19.71 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 129.475 3.11 . . . . 1.0 118.449 -173.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -121.12 45.46 2.27 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.607 2.363 . . . . 1.0 111.719 170.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -48.82 -31.39 7.02 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 126.83 2.052 . . . . 1.0 115.899 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -67.81 -29.45 68.62 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.396 1.258 . . . . 1.0 114.396 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 55.78 -52.0 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 129.793 3.237 . . . . 1.0 117.096 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.535 1.534 . . . . 1.0 111.773 171.244 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 111.352 0.13 . . . . 1.0 111.352 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.82 -166.94 52.97 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.715 1.15 . . . . 1.0 114.351 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.6 p -76.92 -17.44 58.93 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.653 1.353 . . . . 1.0 114.653 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.85 7.36 86.25 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.487 1.041 . . . . 1.0 115.143 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -79.39 -16.47 56.17 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.203 1.186 . . . . 1.0 114.203 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.42 -136.14 29.78 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.054 0.835 . . . . 1.0 113.026 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -81.95 150.06 27.88 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.871 1.269 . . . . 1.0 112.324 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.09 172.3 51.74 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.349 0.976 . . . . 1.0 114.064 174.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.25 155.03 45.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.422 1.489 . . . . 1.0 112.456 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.5 mm -100.85 139.8 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.946 1.298 . . . . 1.0 110.603 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -93.29 -56.65 2.87 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.368 0.667 . . . . 1.0 112.22 171.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -155.88 -35.16 0.09 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.644 1.72 . . . . 1.0 115.644 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -37.41 -51.07 1.1 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.86 2.064 . . . . 1.0 113.997 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -95.84 -29.37 14.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.711 0.804 . . . . 1.0 111.912 -171.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 m -60.17 -43.25 95.97 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.561 0.745 . . . . 1.0 111.168 170.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.55 97.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.542 0.737 . . . . 1.0 112.253 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.24 91.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.302 0.641 . . . . 1.0 112.314 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.98 -33.97 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.847 0.859 . . . . 1.0 111.412 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -64.99 -45.9 83.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.116 0.967 . . . . 1.0 111.378 171.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -62.16 -42.5 99.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.82 0.848 . . . . 1.0 112.258 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -56.58 -50.68 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.552 -0.718 . . . . 1.0 111.606 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.59 90.07 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.261 -0.899 . . . . 1.0 112.151 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -53.43 -45.05 69.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.935 1.694 . . . . 1.0 111.885 171.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -81.96 -15.53 53.47 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.826 1.251 . . . . 1.0 114.062 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -107.03 11.96 29.13 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.384 1.473 . . . . 1.0 113.32 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.28 20.03 60.32 Favored Glycine 0 CA--C 1.539 1.534 0 O-C-N 120.954 -1.092 . . . . 1.0 115.219 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -90.52 148.43 22.73 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.926 1.29 . . . . 1.0 111.659 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -68.82 143.28 54.63 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.646 0.778 . . . . 1.0 111.69 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -156.55 149.87 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.216 1.406 . . . . 1.0 110.623 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 p -70.24 147.04 50.23 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.078 0.951 . . . . 1.0 112.808 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.7 p -86.83 -28.46 22.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.287 1.035 . . . . 1.0 113.564 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -137.64 157.19 47.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.962 2.105 . . . . 1.0 110.932 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.45 -160.48 53.61 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.095 0.855 . . . . 1.0 113.581 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -80.35 158.25 26.11 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.318 1.047 . . . . 1.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.1 mt -83.6 139.18 40.92 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.528 1.531 . . . . 1.0 110.829 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.94 146.93 54.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.566 2.178 . . . . 1.0 112.064 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.32 63.75 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.761 1.393 . . . . 1.0 114.761 -169.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.94 -37.99 77.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.971 0.908 . . . . 1.0 112.59 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.81 -33.93 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.518 0.727 . . . . 1.0 111.635 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.71 -43.89 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.632 0.773 . . . . 1.0 110.197 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.37 -43.99 97.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.307 1.043 . . . . 1.0 112.136 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.01 87.31 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.235 1.014 . . . . 1.0 112.781 174.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -59.88 -48.25 82.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 1.0 111.852 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -64.38 -36.95 85.8 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.928 0.714 . . . . 1.0 112.928 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.2 95.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.221 1.373 . . . . 1.0 111.581 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.32 -30.32 71.07 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.237 1.199 . . . . 1.0 114.237 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.8 p -96.43 -32.48 12.31 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.294 1.22 . . . . 1.0 114.294 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.19 -37.89 44.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.794 1.238 . . . . 1.0 112.24 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.69 118.07 3.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.572 0.749 . . . . 1.0 110.878 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 49.12 25.92 1.29 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.712 1.605 . . . . 1.0 114.333 -174.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.9 m80 49.81 34.0 7.09 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.122 1.769 . . . . 1.0 114.329 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -56.0 124.89 19.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.099 1.76 . . . . 1.0 112.534 -175.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -148.02 159.62 43.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.582 1.553 . . . . 1.0 112.266 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -76.63 164.69 25.67 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.552 1.141 . . . . 1.0 112.94 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 124.277 1.031 . . . . 1.0 112.394 170.347 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 112.463 0.542 . . . . 1.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.12 -21.89 19.07 Favored Glycine 0 N--CA 1.478 1.474 0 C-N-CA 124.427 1.013 . . . . 1.0 115.083 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 p -63.63 -25.55 68.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.131 1.373 . . . . 1.0 114.609 -171.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.2 -10.96 85.26 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.42 1.01 . . . . 1.0 115.041 174.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -125.12 -33.54 2.87 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.562 1.545 . . . . 1.0 114.04 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.36 133.96 28.49 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.295 0.95 . . . . 1.0 112.863 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -134.76 152.42 51.74 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.661 1.984 . . . . 1.0 111.75 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.69 167.86 54.77 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.452 1.025 . . . . 1.0 114.908 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.14 160.03 41.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.139 1.776 . . . . 1.0 111.451 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 81.0 mt -73.4 129.54 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.337 0.655 . . . . 1.0 110.808 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -91.03 -64.88 1.07 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.728 0.811 . . . . 1.0 109.272 169.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -138.82 0.25 1.97 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.859 1.664 . . . . 1.0 115.128 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.4 -48.49 71.52 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.082 1.512 . . . . 1.0 115.082 -169.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -67.67 -38.07 83.24 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.353 0.979 . . . . 1.0 111.946 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 71.0 m -64.0 -44.09 93.7 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.037 0.935 . . . . 1.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.03 91.66 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.512 1.125 . . . . 1.0 112.321 173.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.47 95.38 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.682 0.673 . . . . 1.0 112.594 174.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.5 mt -66.96 -41.13 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.774 0.83 . . . . 1.0 110.808 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -61.52 -47.54 85.14 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.341 1.057 . . . . 1.0 111.447 174.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.29 -45.7 90.18 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.491 0.716 . . . . 1.0 111.755 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -55.57 -45.42 77.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.824 0.849 . . . . 1.0 111.652 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.76 96.1 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.672 -0.642 . . . . 1.0 111.596 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -61.7 -43.34 99.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.018 0.927 . . . . 1.0 112.238 173.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.38 -31.16 72.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.562 1.145 . . . . 1.0 113.217 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -94.28 -2.72 51.84 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.006 1.322 . . . . 1.0 114.115 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.94 20.39 74.51 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.549 1.071 . . . . 1.0 114.775 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -86.87 147.28 25.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 1.0 111.249 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -66.51 129.62 40.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.532 0.733 . . . . 1.0 111.404 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -155.18 151.47 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.267 1.427 . . . . 1.0 110.806 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -69.54 150.41 47.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.781 -0.574 . . . . 1.0 111.955 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -74.47 -42.02 59.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.763 0.825 . . . . 1.0 112.033 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -138.52 -11.37 1.38 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 115.894 1.813 . . . . 1.0 115.894 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.93 -179.66 53.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.627 1.108 . . . . 1.0 113.425 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -62.65 135.78 57.55 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.107 0.963 . . . . 1.0 110.983 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 mt -78.32 133.58 63.91 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 123.49 0.716 . . . . 1.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.38 145.29 76.94 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.785 2.324 . . . . 1.0 112.562 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.64 66.19 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.82 -44.1 69.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 1.0 111.797 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.98 -35.22 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.087 0.955 . . . . 1.0 111.694 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.83 -45.53 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.137 0.575 . . . . 1.0 110.146 172.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.99 -44.25 97.12 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.928 0.891 . . . . 1.0 112.327 172.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.79 82.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.417 1.087 . . . . 1.0 112.537 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.1 -44.01 98.01 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.883 1.273 . . . . 1.0 112.152 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -67.45 -39.46 85.37 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.219 0.822 . . . . 1.0 113.219 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.91 -38.22 69.94 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.352 0.978 . . . . 1.0 112.574 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.88 -30.42 61.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.192 1.397 . . . . 1.0 114.105 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.2 p -108.23 -21.44 12.77 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.992 1.317 . . . . 1.0 114.166 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.0 tp -87.1 -34.82 18.99 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.107 1.363 . . . . 1.0 113.791 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.89 161.18 29.19 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -176.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -68.94 148.98 49.38 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.948 1.699 . . . . 1.0 112.357 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 21.8 m80 53.04 34.33 16.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.176 1.79 . . . . 1.0 115.182 174.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -78.76 -21.22 48.25 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.937 1.458 . . . . 1.0 114.937 -174.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -86.82 147.58 25.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.325 1.45 . . . . 1.0 111.861 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -73.28 -29.45 62.74 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 114.655 1.354 . . . . 1.0 114.655 -169.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.256 1.395 0 C-N-CA 125.991 1.716 . . . . 1.0 110.929 176.434 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.712 0.291 . . . . 1.0 111.706 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.15 -169.85 52.64 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.303 0.954 . . . . 1.0 114.197 -176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.9 p -147.5 163.09 37.63 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.379 1.472 . . . . 1.0 112.73 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.97 172.69 45.71 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.777 1.179 . . . . 1.0 113.421 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -130.09 157.96 40.96 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.075 1.75 . . . . 1.0 112.272 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.77 -147.37 46.54 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.064 0.84 . . . . 1.0 113.0 -175.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.0 ptt85 -150.36 169.21 21.96 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.119 1.768 . . . . 1.0 112.859 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.26 172.79 54.35 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.22 0.914 . . . . 1.0 113.177 169.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.42 160.27 43.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.626 1.57 . . . . 1.0 112.034 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.01 132.23 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.871 0.868 . . . . 1.0 109.976 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -88.78 -67.71 0.82 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.231 0.612 . . . . 1.0 109.676 169.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -148.52 3.14 0.65 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.151 1.908 . . . . 1.0 116.151 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.09 -44.28 97.6 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.961 1.097 . . . . 1.0 113.961 -169.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -71.19 -38.74 72.09 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.656 -0.652 . . . . 1.0 111.341 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -61.87 -42.89 99.6 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.945 0.898 . . . . 1.0 111.701 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.03 95.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.428 1.091 . . . . 1.0 112.471 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.45 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.781 0.718 . . . . 1.0 112.337 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.47 -43.72 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.704 0.801 . . . . 1.0 110.944 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -62.9 -47.43 83.32 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.735 0.814 . . . . 1.0 112.316 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.58 -41.36 96.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.705 0.684 . . . . 1.0 112.531 177.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -55.84 -47.59 76.98 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.56 -0.713 . . . . 1.0 111.595 170.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.72 91.47 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.386 -0.821 . . . . 1.0 112.064 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -61.37 -41.4 97.02 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.185 1.394 . . . . 1.0 112.148 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -69.83 -28.77 65.97 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.517 1.127 . . . . 1.0 113.699 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -94.26 -3.75 50.09 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.661 1.184 . . . . 1.0 114.091 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.7 20.2 75.57 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.378 0.989 . . . . 1.0 114.518 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -89.0 146.12 25.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.793 1.237 . . . . 1.0 111.438 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.31 132.45 48.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.584 0.754 . . . . 1.0 111.531 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.49 149.11 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.814 1.245 . . . . 1.0 111.191 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -71.25 155.94 40.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.067 0.947 . . . . 1.0 111.913 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 p -92.77 -53.94 3.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.822 . . . . 1.0 113.046 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -116.55 -22.63 8.6 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.84 -164.53 29.51 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.519 1.057 . . . . 1.0 114.085 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -69.35 143.27 53.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.223 1.009 . . . . 1.0 110.615 170.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.5 mt -72.63 137.33 80.38 Favored Pre-proline 0 N--CA 1.481 1.087 0 CA-C-O 118.697 -0.668 . . . . 1.0 110.079 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -67.3 139.76 50.99 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.773 2.316 . . . . 1.0 112.165 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.17 -28.56 69.75 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.866 1.061 . . . . 1.0 113.866 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -62.89 -31.28 72.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.827 0.74 . . . . 1.0 112.461 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.11 -36.33 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 123.665 0.786 . . . . 1.0 111.312 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mt -61.72 -47.26 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.333 0.653 . . . . 1.0 110.215 171.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.59 -44.57 96.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.143 0.977 . . . . 1.0 112.379 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.07 87.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.823 1.249 . . . . 1.0 112.952 175.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.33 -47.59 81.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.815 0.846 . . . . 1.0 111.498 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -61.39 -38.22 86.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.92 0.711 . . . . 1.0 112.92 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.57 95.78 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.284 0.947 . . . . 1.0 111.857 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.43 -40.26 85.47 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.991 0.917 . . . . 1.0 113.315 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 -36.42 37.61 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.62 0.971 . . . . 1.0 113.62 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.7 tp -81.85 -34.89 29.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.483 1.113 . . . . 1.0 112.624 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 46.71 76.03 0.11 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.919 2.088 . . . . 1.0 113.39 176.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -53.28 -26.77 19.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.727 1.381 . . . . 1.0 114.727 -171.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -82.64 1.89 36.15 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.694 1.738 . . . . 1.0 115.694 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -73.82 -30.92 62.97 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 120.19 1.359 . . . . 1.0 113.773 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -94.63 145.24 24.97 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.394 1.478 . . . . 1.0 111.512 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -134.0 159.99 39.09 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.677 1.591 . . . . 1.0 112.185 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 124.608 1.163 . . . . 1.0 112.097 176.206 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 112.668 0.618 . . . . 1.0 112.668 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.85 171.77 43.95 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 119.348 0.976 . . . . 1.0 113.413 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -150.67 163.23 39.04 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.031 1.332 . . . . 1.0 112.109 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.64 -169.44 54.74 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.03 1.3 . . . . 1.0 114.818 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 58.59 16.75 4.49 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 127.039 2.135 . . . . 1.0 115.991 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.56 142.06 34.65 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.43 1.014 . . . . 1.0 112.311 172.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -134.45 143.05 47.31 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.362 1.465 . . . . 1.0 111.771 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.63 -28.66 50.94 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.999 0.809 . . . . 1.0 114.638 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 50.95 46.58 26.12 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.747 1.219 . . . . 1.0 112.166 -169.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.3 mm -81.06 142.7 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.356 1.062 . . . . 1.0 112.039 -169.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -141.04 -56.81 0.5 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.995 0.918 . . . . 1.0 112.499 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.39 -33.21 67.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.261 1.025 . . . . 1.0 113.72 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.85 4.48 44.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.457 1.103 . . . . 1.0 113.739 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -58.83 -37.62 76.84 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.028 -1.045 . . . . 1.0 111.677 174.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.8 m -63.81 -45.87 87.71 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.515 -0.74 . . . . 1.0 111.287 174.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.16 83.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.316 -0.865 . . . . 1.0 112.185 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.1 89.83 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.713 -0.617 . . . . 1.0 112.616 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -67.1 -42.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.894 0.77 . . . . 1.0 111.256 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -64.3 -42.91 96.13 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.672 -0.642 . . . . 1.0 111.728 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.07 -48.21 82.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.822 0.849 . . . . 1.0 111.593 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -55.78 -45.64 78.13 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.304 1.042 . . . . 1.0 112.004 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.04 97.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.213 0.605 . . . . 1.0 111.89 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.07 -42.01 97.13 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.856 0.863 . . . . 1.0 112.58 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -66.82 -28.17 68.15 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.258 1.423 . . . . 1.0 113.583 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -98.06 3.77 49.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.584 1.154 . . . . 1.0 113.878 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.98 20.85 75.04 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.601 1.096 . . . . 1.0 114.998 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.55 155.38 25.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.742 1.217 . . . . 1.0 111.89 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -67.92 121.83 16.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.559 0.744 . . . . 1.0 110.981 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 p -151.57 141.29 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.208 1.403 . . . . 1.0 110.984 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.1 m -67.46 125.26 25.57 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.317 1.047 . . . . 1.0 110.685 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -76.75 -21.95 54.49 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -125.6 160.08 30.53 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.74 2.016 . . . . 1.0 110.885 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.04 -154.43 52.83 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.1 0.857 . . . . 1.0 114.391 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 159.89 31.93 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.121 1.368 . . . . 1.0 112.174 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -96.54 142.58 24.75 Favored Pre-proline 0 N--CA 1.479 0.996 0 C-N-CA 125.329 1.452 . . . . 1.0 110.474 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.07 133.26 34.89 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.531 2.821 . . . . 1.0 112.462 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.16 66.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.957 -1.089 . . . . 1.0 113.543 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.29 -39.56 90.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.035 0.934 . . . . 1.0 112.725 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.83 -29.36 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 121.879 -0.513 . . . . 1.0 112.196 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.4 mt -65.04 -44.21 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.505 0.722 . . . . 1.0 110.358 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.89 -43.37 98.98 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.104 -0.998 . . . . 1.0 111.938 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.97 86.56 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.727 0.811 . . . . 1.0 112.739 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.05 -48.55 81.21 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.411 0.684 . . . . 1.0 111.367 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -62.93 -37.41 86.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.499 -0.751 . . . . 1.0 112.59 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.46 87.52 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.242 -0.911 . . . . 1.0 112.2 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.76 -41.34 75.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.361 1.064 . . . . 1.0 113.692 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.3 p -81.24 -36.65 29.72 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.113 1.153 . . . . 1.0 114.113 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 mt -88.37 -21.54 24.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.576 1.15 . . . . 1.0 112.902 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.3 12.7 pt-20 46.22 43.85 11.65 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.554 2.342 . . . . 1.0 114.897 174.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -54.34 -35.16 62.43 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.431 1.092 . . . . 1.0 113.471 -174.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -60.54 -27.08 67.37 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.852 1.261 . . . . 1.0 114.298 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -93.49 -40.2 10.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.162 1.385 . . . . 1.0 112.918 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -70.88 -34.72 71.88 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.265 1.209 . . . . 1.0 114.265 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -83.24 153.43 24.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.6 1.16 . . . . 1.0 112.16 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.4 t60 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.154 1.781 . . . . 1.0 110.77 175.739 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 112.109 0.411 . . . . 1.0 112.109 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.92 20.64 64.71 Favored Glycine 0 N--CA 1.478 1.484 0 C-N-CA 124.739 1.161 . . . . 1.0 115.851 171.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m 55.68 23.71 6.46 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.765 1.626 . . . . 1.0 114.341 -170.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.94 14.77 73.57 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.499 1.047 . . . . 1.0 115.015 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.6 mtm180 -74.41 144.4 44.33 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.517 1.159 . . . . 1.0 112.95 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.23 137.6 26.63 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.221 0.915 . . . . 1.0 112.963 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -131.38 149.65 52.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.133 1.773 . . . . 1.0 111.443 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.33 150.69 44.07 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.28 0.943 . . . . 1.0 113.411 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.76 155.25 39.82 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.373 1.469 . . . . 1.0 112.12 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.67 136.42 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.524 1.13 . . . . 1.0 108.74 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -86.69 38.11 0.78 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.675 1.19 . . . . 1.0 112.965 -173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.281 15.0 ptp180 48.48 18.23 0.16 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.189 2.996 . . . . 1.0 117.002 -172.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.14 -51.71 50.52 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.068 -1.02 . . . . 1.0 112.424 -173.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -70.02 -39.84 75.57 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.292 0.478 . . . . 1.0 112.292 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.7 p -66.13 -42.7 88.76 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.448 -0.783 . . . . 1.0 111.728 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.15 93.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.051 0.842 . . . . 1.0 112.648 172.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.88 91.24 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.798 0.726 . . . . 1.0 112.593 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.9 -45.5 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.838 0.855 . . . . 1.0 110.598 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -59.65 -50.92 71.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.135 0.974 . . . . 1.0 111.137 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -65.57 -41.2 93.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.562 0.619 . . . . 1.0 112.524 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -56.28 -49.75 73.33 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.733 0.697 . . . . 1.0 111.576 170.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.35 96.86 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.667 . . . . 1.0 112.078 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -62.9 -43.16 99.53 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.877 1.671 . . . . 1.0 112.25 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -75.87 -21.6 57.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 1.0 113.669 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -92.04 4.43 53.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.645 1.178 . . . . 1.0 113.638 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.72 77.26 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.586 1.089 . . . . 1.0 115.225 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.21 151.48 28.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.579 1.152 . . . . 1.0 111.353 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -70.03 118.14 12.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.45 0.7 . . . . 1.0 111.533 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.3 p -150.91 146.14 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.173 1.389 . . . . 1.0 110.835 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -74.82 153.29 38.79 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.451 0.643 . . . . 1.0 112.547 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.7 p -83.47 -17.43 42.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.888 1.275 . . . . 1.0 113.156 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -141.54 -26.19 0.69 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.859 1.8 . . . . 1.0 115.859 -174.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.04 -176.31 50.73 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.989 1.281 . . . . 1.0 113.978 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -72.52 154.38 40.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.247 1.019 . . . . 1.0 111.765 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -85.48 138.32 36.14 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 1.0 109.798 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.83 139.99 65.07 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.605 2.203 . . . . 1.0 112.096 175.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.74 70.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.169 0.803 . . . . 1.0 113.169 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.81 -36.39 78.92 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.702 0.801 . . . . 1.0 112.386 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -78.99 -35.01 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.563 1.145 . . . . 1.0 111.71 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mt -60.95 -45.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.546 -0.721 . . . . 1.0 110.412 169.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -42.69 99.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.938 0.895 . . . . 1.0 112.523 172.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.92 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.466 1.107 . . . . 1.0 112.412 174.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -65.22 -44.96 86.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.314 1.046 . . . . 1.0 111.808 174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.12 -37.89 81.39 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.041 -1.037 . . . . 1.0 112.399 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.12 52.74 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.972 0.806 . . . . 1.0 110.983 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.86 75.85 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.796 1.036 . . . . 1.0 113.796 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 45.0 p -85.26 -11.28 55.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.6 mt -123.4 -42.07 2.25 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.601 1.091 . . . . 1.0 113.78 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -91.64 5.03 51.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.132 1.373 . . . . 1.0 114.32 -173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.37 134.36 28.37 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.612 1.165 . . . . 1.0 112.68 171.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 59.2 23.94 12.31 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 116.303 1.964 . . . . 1.0 116.303 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -100.21 0.95 41.41 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 114.709 1.374 . . . . 1.0 114.709 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -73.78 -28.0 61.44 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 114.436 1.273 . . . . 1.0 114.436 -172.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -69.73 162.72 27.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.907 1.283 . . . . 1.0 113.185 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 124.328 1.051 . . . . 1.0 111.639 170.423 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 111.999 0.37 . . . . 1.0 111.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.07 -173.35 52.77 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.479 1.038 . . . . 1.0 114.405 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.8 m -136.6 156.51 48.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.559 1.544 . . . . 1.0 112.294 -176.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.33 163.43 51.23 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.045 0.831 . . . . 1.0 113.8 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -73.12 148.15 44.22 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.238 1.015 . . . . 1.0 113.565 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.97 -143.53 47.06 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.093 0.854 . . . . 1.0 112.765 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -86.05 -38.71 17.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.792 1.237 . . . . 1.0 113.604 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.15 -4.83 61.09 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 125.126 1.346 . . . . 1.0 114.89 -169.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.01 149.69 28.43 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.9 1.68 . . . . 1.0 111.747 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.01 142.45 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.522 1.129 . . . . 1.0 110.597 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -81.42 49.01 1.23 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.166 1.386 . . . . 1.0 112.553 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.275 9.2 ptm180 49.59 -3.37 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 130.447 3.499 . . . . 1.0 119.078 -176.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.62 -55.83 19.68 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.143 1.777 . . . . 1.0 112.39 -178.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.73 -34.37 71.82 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.605 -0.685 . . . . 1.0 111.658 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 m -64.4 -15.04 59.79 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.409 1.484 . . . . 1.0 114.0 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.73 -47.19 4.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.237 1.815 . . . . 1.0 112.33 169.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.98 96.17 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.938 0.895 . . . . 1.0 113.211 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.04 -36.53 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.727 -0.608 . . . . 1.0 110.438 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -66.61 -44.39 82.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.222 1.009 . . . . 1.0 111.851 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.39 -46.84 86.79 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.702 0.683 . . . . 1.0 111.367 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -53.83 -47.45 70.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.868 1.267 . . . . 1.0 112.164 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.91 97.0 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 1.0 112.481 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -66.42 -37.34 84.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.125 0.97 . . . . 1.0 112.33 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -66.07 -40.85 91.22 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.816 1.246 . . . . 1.0 112.551 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -99.39 -3.24 34.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.83 58.99 Favored Glycine 0 CA--C 1.537 1.447 0 N-CA-C 116.406 1.322 . . . . 1.0 116.406 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -76.48 143.21 40.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.517 1.658 . . . . 1.0 111.509 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -70.17 128.39 36.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 1.0 111.435 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.65 145.13 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.006 1.322 . . . . 1.0 110.752 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -71.32 147.08 48.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.139 0.576 . . . . 1.0 112.207 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -77.61 -14.92 59.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.765 1.226 . . . . 1.0 113.597 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -138.9 -32.17 0.69 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.809 1.411 . . . . 1.0 114.809 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.67 -170.29 37.49 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.063 1.316 . . . . 1.0 114.284 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -74.29 159.9 31.81 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.62 1.168 . . . . 1.0 112.029 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.4 mt -82.9 138.92 42.99 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.266 1.026 . . . . 1.0 109.824 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.25 138.15 50.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.432 2.088 . . . . 1.0 112.127 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.36 -31.61 71.5 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.27 -36.04 74.81 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.563 0.745 . . . . 1.0 112.408 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -79.64 -34.64 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 124.507 1.123 . . . . 1.0 111.509 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.6 mt -61.45 -44.64 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.418 -0.801 . . . . 1.0 110.386 169.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -61.93 -43.26 99.22 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.875 0.87 . . . . 1.0 112.101 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.81 84.98 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.429 1.092 . . . . 1.0 112.461 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.37 -49.88 75.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.234 1.013 . . . . 1.0 111.513 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -62.06 -36.11 80.66 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.911 0.708 . . . . 1.0 112.911 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.85 92.71 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.384 0.993 . . . . 1.0 110.908 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.53 87.91 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.699 0.999 . . . . 1.0 113.699 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 -31.49 43.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.714 1.005 . . . . 1.0 113.714 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.7 tp -87.84 -48.38 7.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.418 1.087 . . . . 1.0 113.699 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -86.2 126.14 34.04 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.383 0.883 . . . . 1.0 113.383 -174.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -140.03 152.54 46.31 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.057 1.743 . . . . 1.0 111.07 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . 0.252 26.2 p80 46.61 39.43 6.91 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.678 1.991 . . . . 1.0 115.8 176.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -126.82 154.15 44.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.274 1.83 . . . . 1.0 111.084 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -123.96 13.66 9.15 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.774 1.398 . . . . 1.0 114.774 -170.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -142.66 154.28 44.2 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.506 1.522 . . . . 1.0 111.516 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.4 p80 . . . . . 0 C--O 1.256 1.426 0 C-N-CA 124.221 1.008 . . . . 1.0 113.021 171.378 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 112.589 0.589 . . . . 1.0 112.589 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.01 167.32 37.47 Favored Glycine 0 CA--C 1.535 1.305 0 CA-C-N 119.405 1.002 . . . . 1.0 113.812 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 m -62.6 143.69 57.0 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.719 1.207 . . . . 1.0 112.905 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.8 24.69 60.46 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.109 0.861 . . . . 1.0 114.646 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 51.18 30.66 5.89 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.203 1.801 . . . . 1.0 113.385 -171.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.95 8.45 86.77 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.958 1.266 . . . . 1.0 115.878 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -66.64 137.57 56.81 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.566 1.683 . . . . 1.0 111.188 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.76 156.04 52.73 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.284 0.945 . . . . 1.0 113.691 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.14 36.86 0.19 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.899 1.68 . . . . 1.0 113.202 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.3 mt -139.18 143.5 31.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.184 2.193 . . . . 1.0 109.756 -169.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -105.66 -47.16 3.97 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.487 1.515 . . . . 1.0 111.555 177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -143.98 -7.9 0.72 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.917 2.087 . . . . 1.0 114.294 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.73 63.28 0.86 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.683 1.993 . . . . 1.0 113.23 -173.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -60.86 -28.47 68.87 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.817 -1.177 . . . . 1.0 113.566 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -59.53 -50.96 71.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.244 -0.91 . . . . 1.0 111.772 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.56 84.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.443 1.097 . . . . 1.0 112.477 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.71 95.33 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.63 -0.669 . . . . 1.0 112.22 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.32 -38.68 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.625 0.77 . . . . 1.0 110.88 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -57.27 -49.24 76.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.491 1.116 . . . . 1.0 111.15 172.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.16 -45.9 79.3 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.493 0.717 . . . . 1.0 111.683 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -56.8 -43.05 80.57 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.143 0.977 . . . . 1.0 112.285 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.66 99.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.106 0.963 . . . . 1.0 111.97 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -64.24 -42.88 96.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.305 1.042 . . . . 1.0 112.016 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.28 -34.61 78.06 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.176 1.39 . . . . 1.0 112.919 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -97.96 1.98 48.52 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.169 1.174 . . . . 1.0 114.169 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.36 21.82 77.47 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.284 0.945 . . . . 1.0 114.976 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -78.8 156.9 28.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.485 1.114 . . . . 1.0 111.873 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -75.42 105.48 6.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.703 0.801 . . . . 1.0 111.501 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.18 144.12 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.845 1.658 . . . . 1.0 110.871 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -68.41 154.28 42.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.068 0.547 . . . . 1.0 111.107 171.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.2 p -76.21 -22.27 55.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.347 1.059 . . . . 1.0 113.269 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -144.87 -23.16 0.5 Allowed 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.293 1.96 . . . . 1.0 116.293 -173.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.03 -171.59 38.0 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.827 1.204 . . . . 1.0 113.535 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.22 154.39 41.4 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.064 0.946 . . . . 1.0 111.96 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.02 137.83 33.0 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.389 1.076 . . . . 1.0 109.224 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.11 137.95 50.11 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.41 2.073 . . . . 1.0 112.076 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.51 68.94 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.099 0.778 . . . . 1.0 113.099 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.43 -36.51 78.37 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.918 0.887 . . . . 1.0 112.492 173.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.07 -34.36 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.471 1.108 . . . . 1.0 111.56 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.86 -45.29 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.565 -0.709 . . . . 1.0 110.501 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.55 -43.24 99.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.018 0.927 . . . . 1.0 112.207 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.36 80.52 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.328 1.051 . . . . 1.0 112.515 173.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.89 -48.89 78.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.903 0.881 . . . . 1.0 111.142 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.25 -36.89 83.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.37 97.52 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.401 -0.812 . . . . 1.0 112.028 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.85 86.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.382 1.073 . . . . 1.0 113.432 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.3 p -80.14 -38.58 31.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -83.96 -29.68 26.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.569 1.147 . . . . 1.0 112.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 50.55 70.59 0.5 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.822 2.049 . . . . 1.0 114.163 171.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -53.16 -24.11 9.88 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 115.11 1.522 . . . . 1.0 115.11 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -77.98 -5.07 50.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.435 1.494 . . . . 1.0 114.864 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.28 66.46 2.38 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.797 1.639 . . . . 1.0 112.66 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -81.08 -27.46 35.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.376 1.07 . . . . 1.0 113.367 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -77.44 172.59 13.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.295 1.438 . . . . 1.0 111.97 170.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 66.9 t60 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 123.692 0.797 . . . . 1.0 110.886 169.601 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 112.043 0.386 . . . . 1.0 112.043 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.49 18.69 79.49 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 123.994 0.807 . . . . 1.0 115.055 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 m -64.13 -20.24 65.84 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.234 1.414 . . . . 1.0 114.797 -169.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.9 -10.23 76.93 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.845 1.212 . . . . 1.0 115.121 176.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.67 155.45 40.74 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.77 1.285 . . . . 1.0 111.922 174.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.05 128.95 37.62 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.241 0.924 . . . . 1.0 112.836 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -135.95 156.3 48.96 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.136 1.774 . . . . 1.0 111.41 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.33 10.01 65.32 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.401 1.477 . . . . 1.0 115.857 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.27 65.47 1.61 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.116 1.458 . . . . 1.0 111.105 172.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -122.26 139.8 48.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 126.576 1.95 . . . . 1.0 110.731 -169.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -134.37 -54.14 0.84 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.535 1.134 . . . . 1.0 113.429 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -75.52 -32.04 60.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.185 1.394 . . . . 1.0 112.979 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -99.7 22.28 11.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.737 1.615 . . . . 1.0 113.134 -173.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -65.97 -5.9 10.91 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.425 1.269 . . . . 1.0 114.425 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.4 m -51.07 -41.94 60.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.447 1.476 . . . . 1.0 112.642 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.95 90.65 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.037 -1.039 . . . . 1.0 112.683 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.14 90.68 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.542 0.737 . . . . 1.0 111.877 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.33 -44.09 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.231 1.412 . . . . 1.0 110.638 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -64.71 -45.59 85.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.975 0.91 . . . . 1.0 111.746 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.03 -45.29 89.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.393 0.677 . . . . 1.0 111.618 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -54.53 -45.76 73.42 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.137 0.975 . . . . 1.0 111.648 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.23 97.2 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.653 -0.654 . . . . 1.0 111.665 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.077 0.951 . . . . 1.0 112.443 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.22 -34.65 78.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.725 1.21 . . . . 1.0 113.032 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.03 -6.74 55.23 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.63 75.32 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.299 0.952 . . . . 1.0 114.097 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -81.77 149.84 28.21 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.729 1.212 . . . . 1.0 111.378 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.07 131.28 49.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.638 0.775 . . . . 1.0 111.019 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.58 156.48 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.639 1.176 . . . . 1.0 111.105 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.9 p -71.68 -20.78 61.88 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.496 1.665 . . . . 1.0 115.496 -172.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.277 46.5 p 53.24 24.25 3.63 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.92 2.088 . . . . 1.0 114.238 -169.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -133.5 177.77 7.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.065 2.146 . . . . 1.0 112.077 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.24 96.15 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.069 1.318 . . . . 1.0 114.056 -176.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -83.72 143.44 30.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.832 1.253 . . . . 1.0 110.826 171.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -127.3 141.52 41.07 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.648 1.579 . . . . 1.0 109.891 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.88 143.63 67.43 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.536 2.158 . . . . 1.0 112.607 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.294 0.85 . . . . 1.0 113.294 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.71 -43.4 68.99 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.257 1.023 . . . . 1.0 112.009 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.06 -36.36 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 124.122 0.969 . . . . 1.0 111.577 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 mt -60.3 -46.76 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.169 0.588 . . . . 1.0 110.189 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.11 -42.81 99.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.537 1.135 . . . . 1.0 112.444 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.85 89.06 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.474 1.11 . . . . 1.0 112.543 176.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.61 -47.18 82.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.961 0.905 . . . . 1.0 111.452 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -58.38 -39.6 80.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.981 0.809 . . . . 1.0 112.478 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.29 96.83 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.889 0.768 . . . . 1.0 111.473 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.09 93.65 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -80.78 -27.75 36.59 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -99.9 -39.37 8.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.472 1.109 . . . . 1.0 113.96 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.93 87.76 5.91 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 122.193 0.997 . . . . 1.0 110.771 -173.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -76.07 -3.16 34.41 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.607 1.706 . . . . 1.0 115.607 -170.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -106.59 11.61 30.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.487 1.515 . . . . 1.0 113.704 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -78.28 -8.7 58.69 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.762 1.764 . . . . 1.0 115.762 -170.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -135.14 162.89 31.23 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.969 1.707 . . . . 1.0 112.244 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -70.72 157.53 37.86 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.953 0.901 . . . . 1.0 111.255 169.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 . . . . . 0 C--O 1.256 1.424 0 C-N-CA 125.443 1.497 . . . . 1.0 112.337 -173.735 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 111.886 0.328 . . . . 1.0 111.886 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.77 177.72 48.37 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.538 1.066 . . . . 1.0 113.541 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.8 m -76.7 -15.73 59.71 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.49 1.293 . . . . 1.0 114.49 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.11 -155.12 53.19 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.165 0.888 . . . . 1.0 113.811 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 53.27 38.7 28.36 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.732 1.613 . . . . 1.0 114.236 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.91 138.58 37.49 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.391 0.996 . . . . 1.0 112.816 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -141.02 163.58 32.58 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.407 1.883 . . . . 1.0 111.547 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.5 16.01 11.64 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.728 1.632 . . . . 1.0 116.22 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 64.53 1.19 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.926 1.363 . . . . 1.0 111.172 169.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.9 mm -121.83 142.36 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 126.789 2.036 . . . . 1.0 110.132 -169.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -146.0 -44.73 0.2 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.239 0.829 . . . . 1.0 113.239 -171.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -59.53 -38.64 81.54 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.616 0.767 . . . . 1.0 112.582 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.44 -38.83 68.19 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.256 1.023 . . . . 1.0 111.662 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -68.77 -45.35 71.6 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.871 -0.518 . . . . 1.0 111.505 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 p -62.21 -43.05 99.7 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.871 -0.518 . . . . 1.0 111.685 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.488 0.715 . . . . 1.0 112.846 174.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.73 96.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.373 0.669 . . . . 1.0 112.293 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.06 -38.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.648 0.779 . . . . 1.0 110.911 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -60.1 -48.91 79.76 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.68 0.673 . . . . 1.0 111.039 172.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.65 -47.79 84.66 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.385 0.674 . . . . 1.0 111.462 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -55.7 -47.62 76.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.919 1.288 . . . . 1.0 112.108 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.58 99.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.876 0.87 . . . . 1.0 112.523 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.34 -42.89 98.96 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.786 0.834 . . . . 1.0 111.904 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -67.5 -33.88 75.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.28 1.432 . . . . 1.0 113.107 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -96.2 7.82 45.44 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.872 1.434 . . . . 1.0 114.872 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.87 16.98 71.24 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.825 1.49 . . . . 1.0 116.825 169.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -96.31 137.93 34.66 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.302 1.551 . . . . 1.0 112.011 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -72.2 135.25 46.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.885 0.874 . . . . 1.0 111.493 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -148.02 148.68 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.694 1.597 . . . . 1.0 111.869 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 m -65.34 146.78 54.47 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.701 1.2 . . . . 1.0 112.083 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.7 p -83.87 -62.04 1.67 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.043 0.937 . . . . 1.0 113.155 -169.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -73.46 -36.05 65.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.059 0.943 . . . . 1.0 113.135 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.36 -162.53 30.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.761 1.648 . . . . 1.0 112.106 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 52.9 47.68 24.13 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.486 1.515 . . . . 1.0 113.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.7 mt -64.38 143.52 98.48 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 124.277 1.031 . . . . 1.0 109.315 171.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.2 138.8 57.68 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.038 1.825 . . . . 1.0 112.193 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.97 -28.78 69.25 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.214 0.82 . . . . 1.0 113.214 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.87 -38.05 81.08 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.885 0.874 . . . . 1.0 112.384 172.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.74 -36.09 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.312 1.045 . . . . 1.0 111.394 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.22 -45.45 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.567 -0.708 . . . . 1.0 110.749 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.67 -43.29 99.14 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.222 1.009 . . . . 1.0 112.123 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.06 81.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.364 1.066 . . . . 1.0 112.516 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.5 -50.46 73.47 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.007 0.923 . . . . 1.0 111.529 172.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -63.01 -33.98 76.57 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.84 85.82 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.019 -1.051 . . . . 1.0 111.392 172.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.66 73.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.282 1.033 . . . . 1.0 113.474 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.7 p -86.24 -38.86 17.17 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.413 1.264 . . . . 1.0 114.413 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.3 tp -102.24 -30.8 10.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.658 1.725 . . . . 1.0 115.658 -169.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -72.64 136.32 45.66 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.412 1.005 . . . . 1.0 111.56 -171.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -60.16 -21.24 61.42 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.665 1.728 . . . . 1.0 115.665 -170.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -94.02 2.34 56.08 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 114.828 1.418 . . . . 1.0 114.828 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -68.5 -20.21 64.58 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.628 1.714 . . . . 1.0 115.628 -172.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.96 141.12 56.4 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.029 1.332 . . . . 1.0 113.665 -177.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -138.08 159.99 40.57 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.804 1.641 . . . . 1.0 111.819 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 124.343 1.057 . . . . 1.0 112.885 174.561 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 . . . . . 0 CA--C 1.543 0.693 0 N-CA-C 112.716 0.636 . . . . 1.0 112.716 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -50.64 -43.73 57.2 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.955 -1.091 . . . . 1.0 112.371 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.235 1.014 . . . . 1.0 112.691 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -38.52 79.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.656 0.782 . . . . 1.0 112.148 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.56 -39.64 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.722 0.809 . . . . 1.0 111.009 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -59.3 -48.03 83.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.28 1.032 . . . . 1.0 111.181 172.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.9 -46.11 89.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.424 0.69 . . . . 1.0 111.667 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -56.69 -45.7 81.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.084 0.954 . . . . 1.0 112.148 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.468 0.707 . . . . 1.0 111.594 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -61.98 -45.85 91.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.256 1.022 . . . . 1.0 112.043 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -60.3 -31.82 70.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.877 1.271 . . . . 1.0 112.849 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -93.71 2.27 56.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.703 1.201 . . . . 1.0 113.818 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.69 18.38 73.93 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.649 1.118 . . . . 1.0 115.032 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -84.66 150.34 25.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.144 1.378 . . . . 1.0 111.574 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -69.52 125.97 28.31 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.676 0.79 . . . . 1.0 111.27 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.31 147.89 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.38 1.472 . . . . 1.0 110.666 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 t -73.09 155.06 40.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.143 0.497 . . . . 1.0 112.007 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.9 p -72.65 -34.44 67.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.001 0.92 . . . . 1.0 112.838 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -138.08 164.78 28.25 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.448 1.899 . . . . 1.0 111.63 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.07 -151.98 44.74 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.024 0.821 . . . . 1.0 113.953 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.95 154.58 41.1 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.61 1.164 . . . . 1.0 113.167 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.4 mt -109.72 145.25 31.58 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 126.467 1.907 . . . . 1.0 109.233 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.58 138.93 61.64 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.107 1.872 . . . . 1.0 111.787 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -28.35 68.64 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.039 0.755 . . . . 1.0 113.039 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.17 -35.62 77.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.004 0.921 . . . . 1.0 112.696 172.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.66 -34.49 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.527 1.131 . . . . 1.0 111.218 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.54 -43.91 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.437 -0.79 . . . . 1.0 110.725 170.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.35 -43.38 98.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.382 1.073 . . . . 1.0 112.202 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.37 85.91 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.324 1.05 . . . . 1.0 112.528 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -63.03 -48.01 80.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.252 1.021 . . . . 1.0 111.46 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -60.0 -38.25 82.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.647 -0.658 . . . . 1.0 112.734 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.54 98.62 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.273 -0.892 . . . . 1.0 111.519 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.89 97.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.573 0.749 . . . . 1.0 113.019 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.1 p -78.63 -24.77 45.1 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -97.28 -45.75 6.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.547 1.139 . . . . 1.0 113.625 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 -169.757 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 112.252 0.464 . . . . 1.0 112.252 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m -64.13 -43.64 94.63 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.194 0.998 . . . . 1.0 111.042 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.319 1.047 . . . . 1.0 111.957 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.29 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.272 0.942 . . . . 1.0 112.321 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.84 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.884 0.873 . . . . 1.0 111.11 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -57.58 -50.35 73.41 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.859 0.863 . . . . 1.0 110.975 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -34.88 78.5 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.933 0.893 . . . . 1.0 112.869 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -65.87 -47.83 73.56 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.455 1.102 . . . . 1.0 111.567 169.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.46 96.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.829 0.852 . . . . 1.0 112.439 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.71 1.204 . . . . 1.0 112.72 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -75.42 -24.3 57.08 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.675 1.19 . . . . 1.0 113.749 177.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -96.65 0.9 50.5 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.919 1.287 . . . . 1.0 113.721 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.13 22.2 78.92 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.556 1.074 . . . . 1.0 114.76 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -93.67 151.01 19.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.881 1.273 . . . . 1.0 112.081 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -70.46 123.07 20.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.798 0.839 . . . . 1.0 112.192 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -156.38 144.32 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.766 1.626 . . . . 1.0 110.711 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -68.95 153.03 44.51 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.45 1.1 . . . . 1.0 112.244 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -67.85 -30.0 69.28 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 121.037 -1.039 . . . . 1.0 113.308 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.44 167.37 23.79 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.374 2.269 . . . . 1.0 111.749 177.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.8 -144.48 31.36 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.026 0.822 . . . . 1.0 113.624 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.83 154.13 42.21 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.836 1.254 . . . . 1.0 113.023 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mt -121.48 139.53 29.94 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 126.307 1.843 . . . . 1.0 109.224 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.57 136.82 47.86 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.053 2.502 . . . . 1.0 112.512 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.17 67.77 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.59 0.959 . . . . 1.0 113.59 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -61.14 -40.33 93.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.157 0.983 . . . . 1.0 112.336 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 p -80.46 -29.7 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.728 -0.608 . . . . 1.0 112.388 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.19 -45.21 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.226 0.61 . . . . 1.0 110.292 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.54 -43.86 97.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.064 -1.022 . . . . 1.0 112.298 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.38 -40.62 87.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 1.0 112.651 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -61.67 -48.23 81.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.696 0.799 . . . . 1.0 111.334 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -64.01 -33.69 76.3 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.4 87.8 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.277 -0.89 . . . . 1.0 111.3 170.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.59 87.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.052 0.941 . . . . 1.0 113.237 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.0 p -77.61 -41.44 38.55 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.218 0.821 . . . . 1.0 113.218 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.88 -51.98 5.21 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.618 0.97 . . . . 1.0 113.618 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 113.176 0.806 . . . . 1.0 113.176 -169.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 113.235 0.828 . . . . 1.0 113.235 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.1 p -57.81 -39.66 78.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.175 0.99 . . . . 1.0 112.363 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.99 95.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.395 1.078 . . . . 1.0 112.047 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.84 85.55 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.396 0.678 . . . . 1.0 112.127 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.37 -42.95 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.743 0.817 . . . . 1.0 110.767 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -62.46 -45.84 91.22 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 1.0 112.171 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.98 -45.53 92.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.58 0.627 . . . . 1.0 111.773 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -55.99 -45.83 78.86 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.802 0.841 . . . . 1.0 111.863 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.9 99.3 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.548 -0.72 . . . . 1.0 111.681 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.03 -43.98 97.69 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.244 1.018 . . . . 1.0 112.16 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.3 -31.86 72.51 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.599 1.16 . . . . 1.0 113.05 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -92.39 -1.9 56.7 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.819 1.248 . . . . 1.0 114.152 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.57 19.51 72.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.186 0.898 . . . . 1.0 114.66 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -88.71 147.59 24.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.086 1.354 . . . . 1.0 111.44 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.74 135.98 50.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.137 0.575 . . . . 1.0 111.596 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -153.83 144.45 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.172 1.389 . . . . 1.0 110.661 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 t -81.35 139.79 35.13 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.777 -0.577 . . . . 1.0 111.59 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.66 -12.53 59.81 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.109 1.364 . . . . 1.0 114.039 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -130.71 159.26 37.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.862 1.665 . . . . 1.0 112.374 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 63.32 -160.58 35.67 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.551 1.072 . . . . 1.0 114.001 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.8 151.4 44.85 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.285 1.034 . . . . 1.0 112.107 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.95 142.8 60.68 Favored Pre-proline 0 N--CA 1.477 0.898 0 C-N-CA 124.478 1.111 . . . . 1.0 110.124 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.36 142.35 65.7 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.596 2.198 . . . . 1.0 112.191 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.07 -26.56 67.73 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.315 0.857 . . . . 1.0 113.315 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.6 -44.17 72.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.564 1.146 . . . . 1.0 111.96 170.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.79 -34.65 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 123.967 0.907 . . . . 1.0 111.411 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.0 mt -62.84 -47.17 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.853 -0.529 . . . . 1.0 110.406 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.4 -44.61 92.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.072 0.949 . . . . 1.0 111.9 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.16 -46.54 85.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.601 1.16 . . . . 1.0 112.981 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.69 -47.0 85.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.346 1.058 . . . . 1.0 111.306 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -63.69 -36.48 83.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.94 95.66 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.527 1.058 . . . . 1.0 111.209 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.17 82.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.963 0.905 . . . . 1.0 113.405 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.2 p -83.14 -34.29 26.08 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.877 1.066 . . . . 1.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.6 tp -92.84 -40.91 10.37 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.014 1.116 . . . . 1.0 114.014 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -175.824 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -58.39 -47.21 84.6 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.874 0.869 . . . . 1.0 111.732 169.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.91 91.3 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.654 0.781 . . . . 1.0 112.183 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.59 98.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.199 0.599 . . . . 1.0 112.486 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -71.39 -39.24 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.49 0.716 . . . . 1.0 111.247 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -59.95 -48.02 83.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.045 0.839 . . . . 1.0 111.276 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -62.45 -45.35 93.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.909 0.884 . . . . 1.0 112.482 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -56.16 -48.17 76.83 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.196 0.907 . . . . 1.0 112.098 173.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.51 98.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.736 0.814 . . . . 1.0 111.73 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -60.12 -45.93 91.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.243 1.417 . . . . 1.0 112.281 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -70.79 -26.05 63.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.29 1.036 . . . . 1.0 113.459 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -92.08 1.38 57.24 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.466 1.106 . . . . 1.0 113.757 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.36 18.85 77.17 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.448 1.023 . . . . 1.0 114.861 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -84.65 150.87 24.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.942 1.297 . . . . 1.0 111.351 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.18 128.09 34.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.109 0.564 . . . . 1.0 111.336 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -154.43 144.67 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.311 1.444 . . . . 1.0 110.533 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.3 t -81.46 143.38 32.13 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.819 -0.55 . . . . 1.0 111.558 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -83.09 -18.44 39.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.805 1.242 . . . . 1.0 113.176 173.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -120.06 -36.38 3.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.287 1.435 . . . . 1.0 113.8 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.18 177.27 54.34 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.035 1.302 . . . . 1.0 113.642 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -71.77 154.56 41.23 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.437 1.095 . . . . 1.0 111.683 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.8 mt -79.7 138.44 54.39 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.012 0.925 . . . . 1.0 109.699 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.86 140.05 59.47 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.425 2.083 . . . . 1.0 111.95 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.1 -29.15 69.58 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.8 -37.18 78.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.047 0.939 . . . . 1.0 112.458 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 t -79.88 -35.32 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.745 1.218 . . . . 1.0 111.455 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.2 mt -61.29 -44.94 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.488 -0.758 . . . . 1.0 110.726 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.58 -43.73 98.32 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.138 0.975 . . . . 1.0 112.172 172.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.66 79.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.515 1.126 . . . . 1.0 112.545 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.25 -50.02 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.154 0.982 . . . . 1.0 111.416 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -63.97 -32.45 74.0 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.56 79.04 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.974 -1.079 . . . . 1.0 111.149 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.25 -33.0 73.77 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.927 1.084 . . . . 1.0 113.927 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.8 p -85.28 -45.66 11.74 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.892 1.071 . . . . 1.0 113.892 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.43 -38.13 19.01 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.19 0.905 . . . . 1.0 113.288 -172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 124.52 1.128 . . . . 1.0 113.118 179.692 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 111.791 0.293 . . . . 1.0 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.6 m -65.95 -42.91 89.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.142 0.977 . . . . 1.0 111.346 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.86 98.15 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.22 1.008 . . . . 1.0 111.729 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.43 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.26 -41.48 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.414 0.686 . . . . 1.0 111.093 174.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -62.69 -46.86 86.18 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.617 0.767 . . . . 1.0 111.774 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.78 -46.58 89.92 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.274 1.03 . . . . 1.0 111.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -56.97 -47.67 80.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.009 0.924 . . . . 1.0 112.32 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.03 95.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.388 0.675 . . . . 1.0 111.096 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -60.47 -46.27 90.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.564 1.145 . . . . 1.0 112.097 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -65.04 -28.35 69.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.733 1.213 . . . . 1.0 113.415 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -92.99 1.98 57.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.532 1.133 . . . . 1.0 113.767 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.42 17.72 74.68 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.414 1.007 . . . . 1.0 114.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -85.24 151.53 24.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.98 1.312 . . . . 1.0 111.82 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.4 137.27 52.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.353 0.661 . . . . 1.0 111.427 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.0 141.53 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.896 1.278 . . . . 1.0 110.959 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.6 m -65.23 135.79 55.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.663 1.185 . . . . 1.0 112.84 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -87.52 -20.09 26.99 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.804 1.242 . . . . 1.0 113.553 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -130.61 155.21 46.92 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.413 2.285 . . . . 1.0 110.6 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.79 -161.82 48.79 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.847 0.737 . . . . 1.0 114.266 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -75.7 146.09 40.43 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.083 1.353 . . . . 1.0 111.915 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.7 142.95 96.34 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 124.085 0.954 . . . . 1.0 109.787 174.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.65 138.76 55.36 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.29 1.993 . . . . 1.0 112.073 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.13 68.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.22 -37.16 79.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.901 0.88 . . . . 1.0 112.491 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.35 -35.57 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.467 1.107 . . . . 1.0 111.522 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.53 -46.0 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.55 -0.719 . . . . 1.0 110.454 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.61 -44.05 97.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.224 1.01 . . . . 1.0 112.328 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.25 84.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 1.0 112.634 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.47 -51.0 71.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.123 0.969 . . . . 1.0 111.224 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -62.03 -35.93 80.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.041 0.756 . . . . 1.0 113.041 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.53 89.89 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.155 0.888 . . . . 1.0 111.187 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.47 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.932 0.893 . . . . 1.0 113.409 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -78.32 -30.94 48.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.5 tp -82.35 -56.21 4.04 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.373 1.069 . . . . 1.0 112.122 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.619 0.723 . . . . 1.0 111.815 -171.861 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 119.564 -0.255 . . . . 1.0 111.584 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -65.54 -43.52 89.69 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.195 -0.941 . . . . 1.0 111.297 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.61 91.96 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.543 -0.723 . . . . 1.0 112.474 174.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.89 91.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.537 0.735 . . . . 1.0 112.611 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.73 -38.48 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.642 0.777 . . . . 1.0 111.063 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -58.57 -49.63 76.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.324 1.05 . . . . 1.0 110.962 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.24 -45.78 91.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.016 0.526 . . . . 1.0 111.766 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.09 -46.57 82.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.091 0.956 . . . . 1.0 112.23 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.69 99.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.393 0.677 . . . . 1.0 111.505 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -63.32 -45.88 89.26 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.585 1.154 . . . . 1.0 111.725 174.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.01 -32.87 71.27 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.96 1.304 . . . . 1.0 113.091 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -91.99 1.49 57.16 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.734 1.214 . . . . 1.0 114.022 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.37 19.37 74.3 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.489 1.043 . . . . 1.0 114.967 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -84.2 152.0 24.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.011 1.324 . . . . 1.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.32 123.09 20.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.678 0.791 . . . . 1.0 111.13 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p -152.98 149.26 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.37 1.468 . . . . 1.0 110.875 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -70.88 149.37 46.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.236 0.541 . . . . 1.0 111.921 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 p -73.25 -37.48 66.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.848 0.859 . . . . 1.0 112.163 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -133.74 -23.21 1.83 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.137 1.375 . . . . 1.0 114.518 -173.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.4 -170.71 37.5 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.934 1.254 . . . . 1.0 114.304 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.36 154.24 42.34 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.658 1.183 . . . . 1.0 112.117 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -98.42 137.95 20.76 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 1.0 109.619 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.1 140.1 58.39 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.511 2.14 . . . . 1.0 112.172 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.73 -28.83 68.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.925 0.713 . . . . 1.0 112.925 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.5 78.63 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 1.0 112.543 172.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 t -79.59 -35.34 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.635 1.174 . . . . 1.0 111.375 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.9 mt -61.59 -45.13 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.62 -0.675 . . . . 1.0 110.673 170.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.37 -43.42 98.9 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.105 -0.997 . . . . 1.0 112.236 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.45 82.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.198 0.999 . . . . 1.0 112.604 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -60.21 -51.33 70.03 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.17 0.988 . . . . 1.0 111.095 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -62.54 -35.61 79.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.892 0.701 . . . . 1.0 112.892 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.54 96.54 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.272 -0.892 . . . . 1.0 111.815 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.29 80.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.621 0.971 . . . . 1.0 113.621 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -81.65 -27.4 34.1 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.332 1.234 . . . . 1.0 114.332 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -101.73 -44.7 5.47 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.937 0.895 . . . . 1.0 113.286 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 N--CA 1.479 1.018 0 C-N-CA 126.091 1.756 . . . . 1.0 113.667 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.156 0.428 . . . . 1.0 112.156 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 m -60.37 -42.62 96.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.451 0.7 . . . . 1.0 112.108 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.05 84.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.701 0.8 . . . . 1.0 112.263 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.3 98.82 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.171 0.588 . . . . 1.0 112.467 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.96 -42.47 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 1.0 110.972 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -58.18 -47.52 83.18 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.171 0.896 . . . . 1.0 111.923 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.49 -47.74 82.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.488 0.715 . . . . 1.0 112.215 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -57.44 -46.67 83.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.119 0.872 . . . . 1.0 111.999 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.08 91.63 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.755 0.822 . . . . 1.0 111.628 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -62.37 -43.36 99.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.223 1.009 . . . . 1.0 112.452 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -69.52 -24.89 63.8 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.188 0.995 . . . . 1.0 113.653 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.92 3.38 44.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.607 1.163 . . . . 1.0 114.013 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.68 18.75 77.52 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.586 1.088 . . . . 1.0 115.302 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -85.74 153.05 22.58 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.033 1.333 . . . . 1.0 112.027 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -73.51 122.45 22.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.929 0.892 . . . . 1.0 112.407 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -153.16 144.34 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.132 1.773 . . . . 1.0 110.088 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.8 t -90.27 147.38 23.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.448 0.699 . . . . 1.0 111.842 173.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 p -74.86 -14.01 60.62 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.66 1.184 . . . . 1.0 113.244 173.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -112.43 159.6 18.57 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.415 1.886 . . . . 1.0 111.736 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.66 -159.52 34.72 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.666 1.127 . . . . 1.0 114.646 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.57 154.2 30.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.757 1.223 . . . . 1.0 112.084 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.56 142.36 53.53 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.655 1.182 . . . . 1.0 109.776 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.21 135.61 44.07 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.339 2.693 . . . . 1.0 112.578 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.41 67.83 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.73 1.011 . . . . 1.0 113.73 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.76 -41.43 95.45 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.835 0.854 . . . . 1.0 112.518 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.9 -30.22 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 1.0 112.209 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.97 -44.79 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.241 0.617 . . . . 1.0 110.842 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.01 -44.45 96.7 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.178 0.991 . . . . 1.0 112.121 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.38 93.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.72 0.808 . . . . 1.0 112.592 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 1.0 111.835 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -61.01 -43.51 98.78 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.411 -0.806 . . . . 1.0 112.151 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.51 -47.11 87.12 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.681 1.128 . . . . 1.0 111.642 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.72 88.25 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.025 0.93 . . . . 1.0 113.351 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.6 p -88.2 -31.58 19.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.362 1.245 . . . . 1.0 114.362 -176.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.93 -39.08 10.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.279 0.945 . . . . 1.0 112.997 -175.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.828 0.823 . . . . 1.0 111.311 -179.661 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 112.39 0.515 . . . . 1.0 112.39 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 t -66.29 -48.48 70.25 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.985 0.914 . . . . 1.0 110.688 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.3 83.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.183 0.993 . . . . 1.0 112.684 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.54 96.75 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.569 -0.707 . . . . 1.0 112.39 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.82 -39.65 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 118.732 0.697 . . . . 1.0 111.094 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.46 -51.09 71.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.941 0.897 . . . . 1.0 111.453 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.24 -38.43 85.17 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.289 0.495 . . . . 1.0 111.982 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -57.54 -47.21 82.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.998 0.919 . . . . 1.0 111.25 169.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.32 97.12 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.55 -0.719 . . . . 1.0 112.001 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -57.48 -44.89 85.26 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.082 1.353 . . . . 1.0 111.991 173.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -69.69 -28.98 66.3 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.86 1.264 . . . . 1.0 113.615 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -90.56 -5.47 55.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.635 1.174 . . . . 1.0 113.706 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.74 18.94 79.05 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.625 1.107 . . . . 1.0 114.677 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -87.13 143.34 27.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.763 1.225 . . . . 1.0 110.833 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -66.26 131.07 45.29 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.453 0.701 . . . . 1.0 111.701 -176.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -150.49 141.49 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.872 1.269 . . . . 1.0 110.767 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.9 t -92.27 147.49 22.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.946 0.898 . . . . 1.0 112.788 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 p -99.08 -5.92 29.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.785 1.634 . . . . 1.0 113.115 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -95.49 -1.6 50.39 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.233 1.413 . . . . 1.0 114.398 -170.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.56 -163.72 27.6 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.521 1.534 . . . . 1.0 112.952 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -66.96 151.8 46.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.035 0.934 . . . . 1.0 111.839 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -72.19 131.11 85.47 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.867 0.867 . . . . 1.0 110.382 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.77 148.83 53.23 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.824 2.349 . . . . 1.0 112.259 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.92 67.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.678 1.362 . . . . 1.0 114.678 -169.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.3 -32.37 71.15 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.303 0.956 . . . . 1.0 112.582 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 t -78.73 -35.36 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 123.797 0.839 . . . . 1.0 111.515 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -42.82 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.623 0.769 . . . . 1.0 110.012 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.33 -45.07 94.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.169 0.988 . . . . 1.0 112.469 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.78 82.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.5 1.12 . . . . 1.0 112.241 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.84 -46.94 88.61 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.393 1.077 . . . . 1.0 111.237 173.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -69.46 -22.66 63.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.777 1.399 . . . . 1.0 114.777 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.19 -43.09 87.36 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.299 1.409 . . . . 1.0 110.219 169.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.66 91.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.751 0.82 . . . . 1.0 113.008 174.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 42.4 p -68.83 -36.91 78.77 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.152 0.887 . . . . 1.0 112.456 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -73.36 -44.15 59.3 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 125.088 1.355 . . . . 1.0 111.604 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 -178.037 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.366 0.506 . . . . 1.0 112.366 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m -64.52 -39.99 94.79 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.286 -0.884 . . . . 1.0 111.335 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.63 99.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.718 0.807 . . . . 1.0 112.156 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.16 95.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.711 0.804 . . . . 1.0 112.482 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.06 -44.93 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.33 0.652 . . . . 1.0 110.745 174.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -60.94 -47.43 86.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.681 0.793 . . . . 1.0 111.917 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.75 -46.01 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.4 0.68 . . . . 1.0 111.93 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -57.84 -45.89 85.54 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.97 0.908 . . . . 1.0 112.067 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.26 99.16 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.039 0.535 . . . . 1.0 111.434 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -62.8 -44.44 96.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.437 1.095 . . . . 1.0 112.481 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -60.75 -31.47 70.8 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.952 1.301 . . . . 1.0 112.866 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -93.06 1.57 57.18 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.816 1.247 . . . . 1.0 113.868 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 17.57 73.75 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.744 1.164 . . . . 1.0 114.914 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -85.53 147.88 26.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.003 1.321 . . . . 1.0 111.621 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.13 136.14 49.87 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.49 0.716 . . . . 1.0 110.749 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.34 145.53 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.706 1.202 . . . . 1.0 111.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.2 m -70.8 112.48 7.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.374 1.07 . . . . 1.0 111.117 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.1 p -80.7 -44.97 17.88 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.761 1.224 . . . . 1.0 112.815 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -104.81 -27.8 11.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.369 1.468 . . . . 1.0 113.536 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.03 173.83 41.66 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.16 1.362 . . . . 1.0 113.632 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 139.75 58.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.659 1.184 . . . . 1.0 111.479 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.36 137.59 83.92 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.879 0.872 . . . . 1.0 110.155 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.14 140.82 50.55 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.633 2.222 . . . . 1.0 112.16 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -28.76 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.207 0.818 . . . . 1.0 113.207 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.7 -37.97 80.31 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.9 0.88 . . . . 1.0 112.356 172.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 t -79.6 -34.58 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.971 0.908 . . . . 1.0 111.542 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.98 -45.69 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.777 -0.577 . . . . 1.0 110.531 170.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.347 1.059 . . . . 1.0 112.409 173.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.76 85.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.671 1.189 . . . . 1.0 112.495 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -64.48 -45.46 87.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.896 0.878 . . . . 1.0 111.603 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -60.71 -35.78 77.16 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.81 0.732 . . . . 1.0 112.857 175.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.21 99.63 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.09 -1.006 . . . . 1.0 111.266 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.46 88.12 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.691 -1.255 . . . . 1.0 113.306 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.4 p -79.93 -25.91 40.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.377 1.251 . . . . 1.0 114.377 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -104.94 -42.74 5.25 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.325 1.05 . . . . 1.0 113.596 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.478 0.951 0 C-N-CA 124.592 1.157 . . . . 1.0 113.456 -176.388 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.689 0.625 . . . . 1.0 112.689 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 p -79.44 -41.8 26.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.564 0.62 . . . . 1.0 110.033 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.5 72.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.396 1.079 . . . . 1.0 112.745 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.41 76.02 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.353 1.061 . . . . 1.0 112.542 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.8 mt -77.31 -38.41 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.428 1.091 . . . . 1.0 110.955 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -59.59 -47.33 86.0 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.09 0.859 . . . . 1.0 110.848 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.32 -43.67 90.29 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.567 0.747 . . . . 1.0 112.125 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -57.12 -46.43 82.65 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 1.0 112.16 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.22 -39.43 93.95 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.481 -0.762 . . . . 1.0 111.797 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -67.37 -43.63 80.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.895 1.278 . . . . 1.0 110.696 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.61 -34.44 72.77 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.753 1.621 . . . . 1.0 112.649 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -90.86 3.1 55.42 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.714 1.206 . . . . 1.0 114.158 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 16.84 76.81 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.62 1.105 . . . . 1.0 115.28 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.37 148.5 25.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.194 1.398 . . . . 1.0 111.689 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.37 129.25 38.35 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.783 0.833 . . . . 1.0 111.112 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.02 149.42 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.976 1.31 . . . . 1.0 111.265 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.0 t -75.31 148.23 39.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.862 -0.524 . . . . 1.0 111.692 172.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -76.42 -23.76 53.97 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.384 1.074 . . . . 1.0 113.245 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.2 ptp85 -141.24 -23.79 0.74 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 116.418 2.007 . . . . 1.0 116.418 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.9 -175.96 45.06 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.555 1.074 . . . . 1.0 113.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -67.09 137.06 56.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.024 0.93 . . . . 1.0 111.301 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.02 139.91 46.22 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 124.101 0.961 . . . . 1.0 109.486 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.55 138.65 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.434 2.089 . . . . 1.0 112.109 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.84 -29.06 69.92 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.913 0.708 . . . . 1.0 112.913 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.15 -37.15 79.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.968 0.907 . . . . 1.0 112.279 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.63 -35.27 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.716 1.206 . . . . 1.0 111.488 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.3 mt -61.02 -45.44 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.596 -0.69 . . . . 1.0 110.627 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.83 -43.62 98.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.117 0.967 . . . . 1.0 111.885 172.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.421 1.088 . . . . 1.0 112.693 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -59.89 -50.23 74.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.542 1.137 . . . . 1.0 111.275 173.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -62.92 -37.16 85.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.943 0.72 . . . . 1.0 112.943 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.33 86.22 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.332 0.969 . . . . 1.0 112.273 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.47 78.8 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.233 1.013 . . . . 1.0 113.241 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.5 p -85.38 -35.63 21.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.7 tp -86.37 -33.75 20.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.478 1.036 . . . . 1.0 113.486 -172.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.647 0.779 . . . . 1.0 111.745 -175.36 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.477 0.547 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -66.75 -43.0 85.25 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.577 -0.702 . . . . 1.0 111.686 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.93 91.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.018 0.826 . . . . 1.0 112.563 171.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.48 99.52 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.743 0.701 . . . . 1.0 112.583 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.35 -41.34 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.236 1.014 . . . . 1.0 111.368 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -65.61 -45.81 81.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.662 0.785 . . . . 1.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -61.87 -42.92 99.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.053 0.842 . . . . 1.0 112.571 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -55.98 -49.91 72.29 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.468 -0.77 . . . . 1.0 111.522 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.81 94.87 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.463 -0.773 . . . . 1.0 112.046 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.34 -44.32 72.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.249 1.819 . . . . 1.0 112.199 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -77.87 -24.44 48.51 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.496 1.119 . . . . 1.0 113.845 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -91.6 -6.84 51.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.514 1.126 . . . . 1.0 113.869 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.0 20.37 78.87 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.238 0.923 . . . . 1.0 114.204 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.71 147.24 27.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.611 1.164 . . . . 1.0 111.129 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -65.9 125.8 26.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.54 0.736 . . . . 1.0 111.735 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.29 148.06 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.753 1.621 . . . . 1.0 110.053 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 t -68.17 141.27 56.06 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.662 -0.649 . . . . 1.0 111.0 172.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -78.14 -20.13 52.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.409 1.083 . . . . 1.0 113.845 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.17 -31.81 0.97 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.321 1.23 . . . . 1.0 114.321 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.92 -173.23 43.27 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.911 1.243 . . . . 1.0 114.229 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -71.34 157.15 38.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.673 1.189 . . . . 1.0 111.77 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 mt -91.27 127.06 52.65 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 124.344 1.057 . . . . 1.0 110.134 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -74.82 151.54 40.61 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.749 2.3 . . . . 1.0 112.093 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -24.61 64.57 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.124 1.157 . . . . 1.0 114.124 -173.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.42 -42.96 67.57 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.564 1.146 . . . . 1.0 111.984 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.04 -35.09 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.584 0.754 . . . . 1.0 111.668 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.41 -46.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.646 0.778 . . . . 1.0 109.709 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.95 -45.13 95.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.286 1.034 . . . . 1.0 112.236 172.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.96 82.52 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.646 1.178 . . . . 1.0 112.879 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.59 -48.77 80.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.789 0.836 . . . . 1.0 111.602 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -62.73 -35.32 79.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.172 0.805 . . . . 1.0 113.172 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.57 95.21 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.16 -0.962 . . . . 1.0 111.595 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.84 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.208 -0.933 . . . . 1.0 113.154 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.0 p -79.24 -34.37 42.81 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.774 1.027 . . . . 1.0 113.774 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.8 tp -84.47 -50.63 7.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.214 1.006 . . . . 1.0 112.75 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 113.646 0.98 . . . . 1.0 113.646 -172.761 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 111.912 0.338 . . . . 1.0 111.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 m -60.17 -43.25 95.97 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.561 0.745 . . . . 1.0 111.168 170.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.55 97.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.542 0.737 . . . . 1.0 112.253 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.24 91.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.302 0.641 . . . . 1.0 112.314 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.98 -33.97 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.847 0.859 . . . . 1.0 111.412 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -64.99 -45.9 83.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.116 0.967 . . . . 1.0 111.378 171.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -62.16 -42.5 99.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.82 0.848 . . . . 1.0 112.258 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -56.58 -50.68 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.552 -0.718 . . . . 1.0 111.606 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.59 90.07 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.261 -0.899 . . . . 1.0 112.151 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -53.43 -45.05 69.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.935 1.694 . . . . 1.0 111.885 171.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -81.96 -15.53 53.47 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.826 1.251 . . . . 1.0 114.062 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -107.03 11.96 29.13 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.384 1.473 . . . . 1.0 113.32 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.28 20.03 60.32 Favored Glycine 0 CA--C 1.539 1.534 0 O-C-N 120.954 -1.092 . . . . 1.0 115.219 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -90.52 148.43 22.73 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.926 1.29 . . . . 1.0 111.659 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -68.82 143.28 54.63 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.646 0.778 . . . . 1.0 111.69 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -156.55 149.87 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.216 1.406 . . . . 1.0 110.623 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 p -70.24 147.04 50.23 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.078 0.951 . . . . 1.0 112.808 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.7 p -86.83 -28.46 22.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.287 1.035 . . . . 1.0 113.564 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -137.64 157.19 47.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.962 2.105 . . . . 1.0 110.932 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.45 -160.48 53.61 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.095 0.855 . . . . 1.0 113.581 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -80.35 158.25 26.11 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.318 1.047 . . . . 1.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.1 mt -83.6 139.18 40.92 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.528 1.531 . . . . 1.0 110.829 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.94 146.93 54.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.566 2.178 . . . . 1.0 112.064 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.32 63.75 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.761 1.393 . . . . 1.0 114.761 -169.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.94 -37.99 77.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.971 0.908 . . . . 1.0 112.59 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.81 -33.93 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.518 0.727 . . . . 1.0 111.635 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.71 -43.89 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.632 0.773 . . . . 1.0 110.197 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.37 -43.99 97.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.307 1.043 . . . . 1.0 112.136 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.01 87.31 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.235 1.014 . . . . 1.0 112.781 174.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -59.88 -48.25 82.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 1.0 111.852 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -64.38 -36.95 85.8 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.928 0.714 . . . . 1.0 112.928 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.2 95.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.221 1.373 . . . . 1.0 111.581 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.32 -30.32 71.07 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.237 1.199 . . . . 1.0 114.237 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.8 p -96.43 -32.48 12.31 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.294 1.22 . . . . 1.0 114.294 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.19 -37.89 44.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.794 1.238 . . . . 1.0 112.24 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 123.572 0.749 . . . . 1.0 110.878 176.835 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 111.946 0.351 . . . . 1.0 111.946 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 71.0 m -64.0 -44.09 93.7 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.037 0.935 . . . . 1.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.03 91.66 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.512 1.125 . . . . 1.0 112.321 173.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.47 95.38 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.682 0.673 . . . . 1.0 112.594 174.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.5 mt -66.96 -41.13 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.774 0.83 . . . . 1.0 110.808 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -61.52 -47.54 85.14 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.341 1.057 . . . . 1.0 111.447 174.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.29 -45.7 90.18 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.491 0.716 . . . . 1.0 111.755 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -55.57 -45.42 77.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.824 0.849 . . . . 1.0 111.652 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.76 96.1 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.672 -0.642 . . . . 1.0 111.596 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -61.7 -43.34 99.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.018 0.927 . . . . 1.0 112.238 173.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.38 -31.16 72.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.562 1.145 . . . . 1.0 113.217 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -94.28 -2.72 51.84 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.006 1.322 . . . . 1.0 114.115 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.94 20.39 74.51 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.549 1.071 . . . . 1.0 114.775 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -86.87 147.28 25.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 1.0 111.249 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -66.51 129.62 40.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.532 0.733 . . . . 1.0 111.404 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -155.18 151.47 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.267 1.427 . . . . 1.0 110.806 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -69.54 150.41 47.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.781 -0.574 . . . . 1.0 111.955 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -74.47 -42.02 59.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.763 0.825 . . . . 1.0 112.033 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -138.52 -11.37 1.38 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 115.894 1.813 . . . . 1.0 115.894 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.93 -179.66 53.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.627 1.108 . . . . 1.0 113.425 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -62.65 135.78 57.55 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.107 0.963 . . . . 1.0 110.983 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 mt -78.32 133.58 63.91 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 123.49 0.716 . . . . 1.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.38 145.29 76.94 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.785 2.324 . . . . 1.0 112.562 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.64 66.19 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.82 -44.1 69.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 1.0 111.797 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.98 -35.22 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.087 0.955 . . . . 1.0 111.694 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.83 -45.53 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.137 0.575 . . . . 1.0 110.146 172.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.99 -44.25 97.12 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.928 0.891 . . . . 1.0 112.327 172.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.79 82.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.417 1.087 . . . . 1.0 112.537 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.1 -44.01 98.01 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.883 1.273 . . . . 1.0 112.152 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -67.45 -39.46 85.37 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.219 0.822 . . . . 1.0 113.219 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.91 -38.22 69.94 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.352 0.978 . . . . 1.0 112.574 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.88 -30.42 61.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.192 1.397 . . . . 1.0 114.105 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.2 p -108.23 -21.44 12.77 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.992 1.317 . . . . 1.0 114.166 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.0 tp -87.1 -34.82 18.99 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.107 1.363 . . . . 1.0 113.791 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 120.411 0.148 . . . . 1.0 111.341 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -61.87 -42.89 99.6 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.945 0.898 . . . . 1.0 111.701 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.03 95.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.428 1.091 . . . . 1.0 112.471 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.45 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.781 0.718 . . . . 1.0 112.337 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.47 -43.72 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.704 0.801 . . . . 1.0 110.944 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -62.9 -47.43 83.32 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.735 0.814 . . . . 1.0 112.316 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.58 -41.36 96.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.705 0.684 . . . . 1.0 112.531 177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -55.84 -47.59 76.98 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.56 -0.713 . . . . 1.0 111.595 170.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.72 91.47 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.386 -0.821 . . . . 1.0 112.064 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -61.37 -41.4 97.02 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.185 1.394 . . . . 1.0 112.148 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -69.83 -28.77 65.97 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.517 1.127 . . . . 1.0 113.699 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -94.26 -3.75 50.09 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.661 1.184 . . . . 1.0 114.091 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.7 20.2 75.57 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.378 0.989 . . . . 1.0 114.518 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -89.0 146.12 25.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.793 1.237 . . . . 1.0 111.438 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.31 132.45 48.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.584 0.754 . . . . 1.0 111.531 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.49 149.11 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.814 1.245 . . . . 1.0 111.191 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -71.25 155.94 40.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.067 0.947 . . . . 1.0 111.913 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 p -92.77 -53.94 3.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.822 . . . . 1.0 113.046 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -116.55 -22.63 8.6 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.84 -164.53 29.51 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.519 1.057 . . . . 1.0 114.085 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -69.35 143.27 53.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.223 1.009 . . . . 1.0 110.615 170.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.5 mt -72.63 137.33 80.38 Favored Pre-proline 0 N--CA 1.481 1.087 0 CA-C-O 118.697 -0.668 . . . . 1.0 110.079 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -67.3 139.76 50.99 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.773 2.316 . . . . 1.0 112.165 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.17 -28.56 69.75 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.866 1.061 . . . . 1.0 113.866 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -62.89 -31.28 72.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.827 0.74 . . . . 1.0 112.461 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.11 -36.33 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 123.665 0.786 . . . . 1.0 111.312 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mt -61.72 -47.26 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.333 0.653 . . . . 1.0 110.215 171.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.59 -44.57 96.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.143 0.977 . . . . 1.0 112.379 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.07 87.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.823 1.249 . . . . 1.0 112.952 175.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.33 -47.59 81.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.815 0.846 . . . . 1.0 111.498 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -61.39 -38.22 86.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.92 0.711 . . . . 1.0 112.92 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.57 95.78 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.284 0.947 . . . . 1.0 111.857 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.43 -40.26 85.47 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.991 0.917 . . . . 1.0 113.315 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 -36.42 37.61 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.62 0.971 . . . . 1.0 113.62 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.7 tp -81.85 -34.89 29.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.483 1.113 . . . . 1.0 112.624 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 126.919 2.088 . . . . 1.0 113.39 176.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.677 0.251 . . . . 1.0 111.677 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.8 m -63.81 -45.87 87.71 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.515 -0.74 . . . . 1.0 111.287 174.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.16 83.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.316 -0.865 . . . . 1.0 112.185 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.1 89.83 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.713 -0.617 . . . . 1.0 112.616 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -67.1 -42.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.894 0.77 . . . . 1.0 111.256 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -64.3 -42.91 96.13 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.672 -0.642 . . . . 1.0 111.728 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.07 -48.21 82.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.822 0.849 . . . . 1.0 111.593 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -55.78 -45.64 78.13 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.304 1.042 . . . . 1.0 112.004 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.04 97.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.213 0.605 . . . . 1.0 111.89 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.07 -42.01 97.13 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.856 0.863 . . . . 1.0 112.58 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -66.82 -28.17 68.15 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.258 1.423 . . . . 1.0 113.583 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -98.06 3.77 49.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.584 1.154 . . . . 1.0 113.878 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.98 20.85 75.04 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.601 1.096 . . . . 1.0 114.998 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.55 155.38 25.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.742 1.217 . . . . 1.0 111.89 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -67.92 121.83 16.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.559 0.744 . . . . 1.0 110.981 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 p -151.57 141.29 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.208 1.403 . . . . 1.0 110.984 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.1 m -67.46 125.26 25.57 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.317 1.047 . . . . 1.0 110.685 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -76.75 -21.95 54.49 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -125.6 160.08 30.53 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.74 2.016 . . . . 1.0 110.885 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.04 -154.43 52.83 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.1 0.857 . . . . 1.0 114.391 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 159.89 31.93 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.121 1.368 . . . . 1.0 112.174 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -96.54 142.58 24.75 Favored Pre-proline 0 N--CA 1.479 0.996 0 C-N-CA 125.329 1.452 . . . . 1.0 110.474 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.07 133.26 34.89 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.531 2.821 . . . . 1.0 112.462 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.16 66.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.957 -1.089 . . . . 1.0 113.543 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.29 -39.56 90.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.035 0.934 . . . . 1.0 112.725 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.83 -29.36 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 121.879 -0.513 . . . . 1.0 112.196 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.4 mt -65.04 -44.21 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.505 0.722 . . . . 1.0 110.358 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.89 -43.37 98.98 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.104 -0.998 . . . . 1.0 111.938 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.97 86.56 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.727 0.811 . . . . 1.0 112.739 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.05 -48.55 81.21 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.411 0.684 . . . . 1.0 111.367 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -62.93 -37.41 86.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.499 -0.751 . . . . 1.0 112.59 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.46 87.52 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.242 -0.911 . . . . 1.0 112.2 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.76 -41.34 75.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.361 1.064 . . . . 1.0 113.692 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.3 p -81.24 -36.65 29.72 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.113 1.153 . . . . 1.0 114.113 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 mt -88.37 -21.54 24.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.576 1.15 . . . . 1.0 112.902 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.3 12.7 pt-20 . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 127.554 2.342 . . . . 1.0 114.897 174.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 112.292 0.478 . . . . 1.0 112.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.7 p -66.13 -42.7 88.76 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.448 -0.783 . . . . 1.0 111.728 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.15 93.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.051 0.842 . . . . 1.0 112.648 172.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.88 91.24 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.798 0.726 . . . . 1.0 112.593 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.9 -45.5 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.838 0.855 . . . . 1.0 110.598 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -59.65 -50.92 71.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.135 0.974 . . . . 1.0 111.137 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -65.57 -41.2 93.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.562 0.619 . . . . 1.0 112.524 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -56.28 -49.75 73.33 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.733 0.697 . . . . 1.0 111.576 170.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.35 96.86 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.667 . . . . 1.0 112.078 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -62.9 -43.16 99.53 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.877 1.671 . . . . 1.0 112.25 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -75.87 -21.6 57.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 1.0 113.669 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -92.04 4.43 53.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.645 1.178 . . . . 1.0 113.638 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.72 77.26 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.586 1.089 . . . . 1.0 115.225 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.21 151.48 28.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.579 1.152 . . . . 1.0 111.353 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -70.03 118.14 12.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.45 0.7 . . . . 1.0 111.533 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.3 p -150.91 146.14 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.173 1.389 . . . . 1.0 110.835 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -74.82 153.29 38.79 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.451 0.643 . . . . 1.0 112.547 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.7 p -83.47 -17.43 42.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.888 1.275 . . . . 1.0 113.156 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -141.54 -26.19 0.69 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.859 1.8 . . . . 1.0 115.859 -174.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.04 -176.31 50.73 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.989 1.281 . . . . 1.0 113.978 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -72.52 154.38 40.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.247 1.019 . . . . 1.0 111.765 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -85.48 138.32 36.14 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 1.0 109.798 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.83 139.99 65.07 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.605 2.203 . . . . 1.0 112.096 175.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.74 70.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.169 0.803 . . . . 1.0 113.169 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.81 -36.39 78.92 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.702 0.801 . . . . 1.0 112.386 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -78.99 -35.01 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.563 1.145 . . . . 1.0 111.71 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mt -60.95 -45.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.546 -0.721 . . . . 1.0 110.412 169.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -42.69 99.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.938 0.895 . . . . 1.0 112.523 172.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.92 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.466 1.107 . . . . 1.0 112.412 174.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -65.22 -44.96 86.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.314 1.046 . . . . 1.0 111.808 174.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.12 -37.89 81.39 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.041 -1.037 . . . . 1.0 112.399 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.12 52.74 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.972 0.806 . . . . 1.0 110.983 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.86 75.85 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.796 1.036 . . . . 1.0 113.796 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 45.0 p -85.26 -11.28 55.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.6 mt -123.4 -42.07 2.25 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.601 1.091 . . . . 1.0 113.78 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 125.132 1.373 . . . . 1.0 114.32 -173.723 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 111.658 0.244 . . . . 1.0 111.658 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 m -64.4 -15.04 59.79 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.409 1.484 . . . . 1.0 114.0 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.73 -47.19 4.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.237 1.815 . . . . 1.0 112.33 169.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.98 96.17 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.938 0.895 . . . . 1.0 113.211 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.04 -36.53 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.727 -0.608 . . . . 1.0 110.438 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -66.61 -44.39 82.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.222 1.009 . . . . 1.0 111.851 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.39 -46.84 86.79 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.702 0.683 . . . . 1.0 111.367 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -53.83 -47.45 70.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.868 1.267 . . . . 1.0 112.164 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.91 97.0 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 1.0 112.481 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -66.42 -37.34 84.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.125 0.97 . . . . 1.0 112.33 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -66.07 -40.85 91.22 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.816 1.246 . . . . 1.0 112.551 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -99.39 -3.24 34.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.83 58.99 Favored Glycine 0 CA--C 1.537 1.447 0 N-CA-C 116.406 1.322 . . . . 1.0 116.406 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -76.48 143.21 40.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.517 1.658 . . . . 1.0 111.509 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -70.17 128.39 36.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 1.0 111.435 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.65 145.13 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.006 1.322 . . . . 1.0 110.752 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -71.32 147.08 48.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.139 0.576 . . . . 1.0 112.207 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -77.61 -14.92 59.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.765 1.226 . . . . 1.0 113.597 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -138.9 -32.17 0.69 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.809 1.411 . . . . 1.0 114.809 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.67 -170.29 37.49 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.063 1.316 . . . . 1.0 114.284 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -74.29 159.9 31.81 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.62 1.168 . . . . 1.0 112.029 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.4 mt -82.9 138.92 42.99 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.266 1.026 . . . . 1.0 109.824 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.25 138.15 50.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.432 2.088 . . . . 1.0 112.127 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.36 -31.61 71.5 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.27 -36.04 74.81 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.563 0.745 . . . . 1.0 112.408 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -79.64 -34.64 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 124.507 1.123 . . . . 1.0 111.509 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.6 mt -61.45 -44.64 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.418 -0.801 . . . . 1.0 110.386 169.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -61.93 -43.26 99.22 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.875 0.87 . . . . 1.0 112.101 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.81 84.98 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.429 1.092 . . . . 1.0 112.461 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.37 -49.88 75.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.234 1.013 . . . . 1.0 111.513 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -62.06 -36.11 80.66 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.911 0.708 . . . . 1.0 112.911 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.85 92.71 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.384 0.993 . . . . 1.0 110.908 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.53 87.91 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.699 0.999 . . . . 1.0 113.699 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 -31.49 43.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.714 1.005 . . . . 1.0 113.714 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.7 tp -87.84 -48.38 7.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.418 1.087 . . . . 1.0 113.699 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.383 0.883 . . . . 1.0 113.383 -174.356 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 113.566 0.95 . . . . 1.0 113.566 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -59.53 -50.96 71.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.244 -0.91 . . . . 1.0 111.772 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.56 84.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.443 1.097 . . . . 1.0 112.477 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.71 95.33 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.63 -0.669 . . . . 1.0 112.22 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.32 -38.68 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.625 0.77 . . . . 1.0 110.88 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -57.27 -49.24 76.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.491 1.116 . . . . 1.0 111.15 172.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.16 -45.9 79.3 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.493 0.717 . . . . 1.0 111.683 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -56.8 -43.05 80.57 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.143 0.977 . . . . 1.0 112.285 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.66 99.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.106 0.963 . . . . 1.0 111.97 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -64.24 -42.88 96.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.305 1.042 . . . . 1.0 112.016 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.28 -34.61 78.06 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.176 1.39 . . . . 1.0 112.919 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -97.96 1.98 48.52 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.169 1.174 . . . . 1.0 114.169 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.36 21.82 77.47 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.284 0.945 . . . . 1.0 114.976 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -78.8 156.9 28.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.485 1.114 . . . . 1.0 111.873 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -75.42 105.48 6.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.703 0.801 . . . . 1.0 111.501 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.18 144.12 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.845 1.658 . . . . 1.0 110.871 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -68.41 154.28 42.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.068 0.547 . . . . 1.0 111.107 171.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.2 p -76.21 -22.27 55.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.347 1.059 . . . . 1.0 113.269 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -144.87 -23.16 0.5 Allowed 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.293 1.96 . . . . 1.0 116.293 -173.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.03 -171.59 38.0 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.827 1.204 . . . . 1.0 113.535 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.22 154.39 41.4 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.064 0.946 . . . . 1.0 111.96 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.02 137.83 33.0 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.389 1.076 . . . . 1.0 109.224 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.11 137.95 50.11 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.41 2.073 . . . . 1.0 112.076 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.51 68.94 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.099 0.778 . . . . 1.0 113.099 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.43 -36.51 78.37 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.918 0.887 . . . . 1.0 112.492 173.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.07 -34.36 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.471 1.108 . . . . 1.0 111.56 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.86 -45.29 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.565 -0.709 . . . . 1.0 110.501 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.55 -43.24 99.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.018 0.927 . . . . 1.0 112.207 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.36 80.52 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.328 1.051 . . . . 1.0 112.515 173.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.89 -48.89 78.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.903 0.881 . . . . 1.0 111.142 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.25 -36.89 83.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.37 97.52 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.401 -0.812 . . . . 1.0 112.028 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.85 86.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.382 1.073 . . . . 1.0 113.432 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.3 p -80.14 -38.58 31.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -83.96 -29.68 26.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.569 1.147 . . . . 1.0 112.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.822 2.049 . . . . 1.0 114.163 171.208 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.425 1.269 . . . . 1.0 114.425 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.4 m -51.07 -41.94 60.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.447 1.476 . . . . 1.0 112.642 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.95 90.65 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.037 -1.039 . . . . 1.0 112.683 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.14 90.68 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.542 0.737 . . . . 1.0 111.877 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.33 -44.09 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.231 1.412 . . . . 1.0 110.638 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -64.71 -45.59 85.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.975 0.91 . . . . 1.0 111.746 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.03 -45.29 89.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.393 0.677 . . . . 1.0 111.618 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -54.53 -45.76 73.42 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.137 0.975 . . . . 1.0 111.648 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.23 97.2 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.653 -0.654 . . . . 1.0 111.665 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.077 0.951 . . . . 1.0 112.443 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.22 -34.65 78.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.725 1.21 . . . . 1.0 113.032 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.03 -6.74 55.23 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.63 75.32 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.299 0.952 . . . . 1.0 114.097 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -81.77 149.84 28.21 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.729 1.212 . . . . 1.0 111.378 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.07 131.28 49.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.638 0.775 . . . . 1.0 111.019 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.58 156.48 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.639 1.176 . . . . 1.0 111.105 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.9 p -71.68 -20.78 61.88 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.496 1.665 . . . . 1.0 115.496 -172.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.277 46.5 p 53.24 24.25 3.63 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.92 2.088 . . . . 1.0 114.238 -169.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -133.5 177.77 7.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.065 2.146 . . . . 1.0 112.077 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.24 96.15 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.069 1.318 . . . . 1.0 114.056 -176.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -83.72 143.44 30.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.832 1.253 . . . . 1.0 110.826 171.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -127.3 141.52 41.07 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.648 1.579 . . . . 1.0 109.891 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.88 143.63 67.43 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.536 2.158 . . . . 1.0 112.607 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.294 0.85 . . . . 1.0 113.294 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.71 -43.4 68.99 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.257 1.023 . . . . 1.0 112.009 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.06 -36.36 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 124.122 0.969 . . . . 1.0 111.577 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 mt -60.3 -46.76 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.169 0.588 . . . . 1.0 110.189 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.11 -42.81 99.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.537 1.135 . . . . 1.0 112.444 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.85 89.06 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.474 1.11 . . . . 1.0 112.543 176.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.61 -47.18 82.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.961 0.905 . . . . 1.0 111.452 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -58.38 -39.6 80.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.981 0.809 . . . . 1.0 112.478 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.29 96.83 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.889 0.768 . . . . 1.0 111.473 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.09 93.65 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -80.78 -27.75 36.59 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -99.9 -39.37 8.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.472 1.109 . . . . 1.0 113.96 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 122.193 0.997 . . . . 1.0 110.771 -173.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 . . . . . 0 N--CA 1.47 0.552 0 N-CA-C 111.505 0.187 . . . . 1.0 111.505 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 p -62.21 -43.05 99.7 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.871 -0.518 . . . . 1.0 111.685 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.488 0.715 . . . . 1.0 112.846 174.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.73 96.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.373 0.669 . . . . 1.0 112.293 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.06 -38.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.648 0.779 . . . . 1.0 110.911 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -60.1 -48.91 79.76 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.68 0.673 . . . . 1.0 111.039 172.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.65 -47.79 84.66 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.385 0.674 . . . . 1.0 111.462 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -55.7 -47.62 76.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.919 1.288 . . . . 1.0 112.108 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.58 99.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.876 0.87 . . . . 1.0 112.523 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.34 -42.89 98.96 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.786 0.834 . . . . 1.0 111.904 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -67.5 -33.88 75.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.28 1.432 . . . . 1.0 113.107 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -96.2 7.82 45.44 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.872 1.434 . . . . 1.0 114.872 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.87 16.98 71.24 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.825 1.49 . . . . 1.0 116.825 169.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -96.31 137.93 34.66 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.302 1.551 . . . . 1.0 112.011 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -72.2 135.25 46.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.885 0.874 . . . . 1.0 111.493 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -148.02 148.68 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.694 1.597 . . . . 1.0 111.869 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 m -65.34 146.78 54.47 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.701 1.2 . . . . 1.0 112.083 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.7 p -83.87 -62.04 1.67 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.043 0.937 . . . . 1.0 113.155 -169.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -73.46 -36.05 65.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.059 0.943 . . . . 1.0 113.135 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.36 -162.53 30.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.761 1.648 . . . . 1.0 112.106 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 52.9 47.68 24.13 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.486 1.515 . . . . 1.0 113.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.7 mt -64.38 143.52 98.48 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 124.277 1.031 . . . . 1.0 109.315 171.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.2 138.8 57.68 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.038 1.825 . . . . 1.0 112.193 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.97 -28.78 69.25 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.214 0.82 . . . . 1.0 113.214 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.87 -38.05 81.08 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.885 0.874 . . . . 1.0 112.384 172.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.74 -36.09 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.312 1.045 . . . . 1.0 111.394 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.22 -45.45 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.567 -0.708 . . . . 1.0 110.749 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.67 -43.29 99.14 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.222 1.009 . . . . 1.0 112.123 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.06 81.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.364 1.066 . . . . 1.0 112.516 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.5 -50.46 73.47 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.007 0.923 . . . . 1.0 111.529 172.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -63.01 -33.98 76.57 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.84 85.82 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.019 -1.051 . . . . 1.0 111.392 172.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.66 73.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.282 1.033 . . . . 1.0 113.474 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.7 p -86.24 -38.86 17.17 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.413 1.264 . . . . 1.0 114.413 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.3 tp -102.24 -30.8 10.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.658 1.725 . . . . 1.0 115.658 -169.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 N--CA 1.475 0.821 0 CA-C-N 119.412 1.005 . . . . 1.0 111.56 -171.543 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 111.885 0.328 . . . . 1.0 111.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.91 -175.71 50.04 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.315 0.959 . . . . 1.0 114.534 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.1 m -69.92 149.43 47.82 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.704 1.202 . . . . 1.0 112.901 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.6 -164.9 31.32 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 124.157 0.884 . . . . 1.0 113.48 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -66.15 -18.77 65.56 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.663 1.357 . . . . 1.0 114.663 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.02 -13.04 46.51 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.157 1.361 . . . . 1.0 115.221 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -64.99 -24.88 67.64 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.495 1.118 . . . . 1.0 113.189 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.1 9.19 80.12 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.932 1.253 . . . . 1.0 115.61 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.39 146.46 42.95 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.608 1.204 . . . . 1.0 112.766 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.5 mm -107.26 153.41 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 125.931 1.693 . . . . 1.0 110.492 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -86.37 -43.04 13.18 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.223 1.009 . . . . 1.0 112.753 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -99.76 41.03 1.18 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.379 1.872 . . . . 1.0 111.161 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.16 -13.94 42.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.255 1.822 . . . . 1.0 114.995 -169.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -61.65 -13.81 25.63 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.16 -0.962 . . . . 1.0 112.716 169.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -50.64 -43.73 57.2 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.955 -1.091 . . . . 1.0 112.371 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.235 1.014 . . . . 1.0 112.691 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -38.52 79.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.656 0.782 . . . . 1.0 112.148 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.56 -39.64 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.722 0.809 . . . . 1.0 111.009 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -59.3 -48.03 83.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.28 1.032 . . . . 1.0 111.181 172.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.9 -46.11 89.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.424 0.69 . . . . 1.0 111.667 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -56.69 -45.7 81.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.084 0.954 . . . . 1.0 112.148 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.468 0.707 . . . . 1.0 111.594 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -61.98 -45.85 91.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.256 1.022 . . . . 1.0 112.043 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -60.3 -31.82 70.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.877 1.271 . . . . 1.0 112.849 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -93.71 2.27 56.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.703 1.201 . . . . 1.0 113.818 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.69 18.38 73.93 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.649 1.118 . . . . 1.0 115.032 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -84.66 150.34 25.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.144 1.378 . . . . 1.0 111.574 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -69.52 125.97 28.31 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.676 0.79 . . . . 1.0 111.27 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.31 147.89 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.38 1.472 . . . . 1.0 110.666 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 t -73.09 155.06 40.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.143 0.497 . . . . 1.0 112.007 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.9 p -72.65 -34.44 67.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.001 0.92 . . . . 1.0 112.838 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -138.08 164.78 28.25 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.448 1.899 . . . . 1.0 111.63 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.07 -151.98 44.74 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.024 0.821 . . . . 1.0 113.953 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.95 154.58 41.1 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.61 1.164 . . . . 1.0 113.167 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.4 mt -109.72 145.25 31.58 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 126.467 1.907 . . . . 1.0 109.233 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.58 138.93 61.64 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.107 1.872 . . . . 1.0 111.787 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -28.35 68.64 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.039 0.755 . . . . 1.0 113.039 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.17 -35.62 77.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.004 0.921 . . . . 1.0 112.696 172.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.66 -34.49 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.527 1.131 . . . . 1.0 111.218 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.54 -43.91 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.437 -0.79 . . . . 1.0 110.725 170.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.35 -43.38 98.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.382 1.073 . . . . 1.0 112.202 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.37 85.91 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.324 1.05 . . . . 1.0 112.528 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -63.03 -48.01 80.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.252 1.021 . . . . 1.0 111.46 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -60.0 -38.25 82.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.647 -0.658 . . . . 1.0 112.734 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.54 98.62 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.273 -0.892 . . . . 1.0 111.519 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.89 97.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.573 0.749 . . . . 1.0 113.019 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.1 p -78.63 -24.77 45.1 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -97.28 -45.75 6.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.547 1.139 . . . . 1.0 113.625 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -86.26 -22.08 27.02 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 -169.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -63.83 -17.21 62.9 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.253 1.205 . . . . 1.0 114.253 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -115.85 26.45 9.98 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.727 2.011 . . . . 1.0 113.43 171.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -141.11 -46.91 0.39 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.527 1.531 . . . . 1.0 114.465 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -125.64 33.46 5.1 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.82 1.648 . . . . 1.0 112.52 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -146.71 153.52 40.35 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.354 1.862 . . . . 1.0 111.341 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.773 1.629 . . . . 1.0 112.092 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 119.353 -0.356 . . . . 1.0 111.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.68 -171.25 52.05 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.881 1.229 . . . . 1.0 114.359 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.6 p -146.5 159.57 43.24 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.377 1.471 . . . . 1.0 112.686 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.37 169.5 54.04 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.431 1.015 . . . . 1.0 114.557 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -74.67 -19.01 60.44 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.211 1.189 . . . . 1.0 114.211 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.72 -28.95 1.54 Allowed Glycine 0 CA--C 1.538 1.529 0 C-N-CA 126.266 1.888 . . . . 1.0 115.975 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -130.56 164.36 25.06 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.534 2.333 . . . . 1.0 110.784 174.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.73 141.81 40.9 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.753 0.692 . . . . 1.0 112.989 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.72 159.94 43.64 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.368 1.467 . . . . 1.0 111.745 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.9 mt -67.25 137.49 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.669 0.787 . . . . 1.0 110.424 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -112.11 -39.17 4.55 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.05 1.34 . . . . 1.0 111.934 170.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -148.28 -17.29 0.34 Allowed 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 114.785 1.402 . . . . 1.0 114.785 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -46.2 -56.41 5.76 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.614 1.966 . . . . 1.0 116.184 -168.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -68.87 -37.91 79.38 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.463 1.029 . . . . 1.0 112.252 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m -64.13 -43.64 94.63 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.194 0.998 . . . . 1.0 111.042 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.319 1.047 . . . . 1.0 111.957 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.29 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.272 0.942 . . . . 1.0 112.321 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.84 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.884 0.873 . . . . 1.0 111.11 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -57.58 -50.35 73.41 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.859 0.863 . . . . 1.0 110.975 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -34.88 78.5 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.933 0.893 . . . . 1.0 112.869 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -65.87 -47.83 73.56 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.455 1.102 . . . . 1.0 111.567 169.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.46 96.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.829 0.852 . . . . 1.0 112.439 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.71 1.204 . . . . 1.0 112.72 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -75.42 -24.3 57.08 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.675 1.19 . . . . 1.0 113.749 177.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -96.65 0.9 50.5 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.919 1.287 . . . . 1.0 113.721 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.13 22.2 78.92 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.556 1.074 . . . . 1.0 114.76 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -93.67 151.01 19.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.881 1.273 . . . . 1.0 112.081 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -70.46 123.07 20.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.798 0.839 . . . . 1.0 112.192 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -156.38 144.32 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.766 1.626 . . . . 1.0 110.711 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -68.95 153.03 44.51 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.45 1.1 . . . . 1.0 112.244 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -67.85 -30.0 69.28 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 121.037 -1.039 . . . . 1.0 113.308 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.44 167.37 23.79 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.374 2.269 . . . . 1.0 111.749 177.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.8 -144.48 31.36 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.026 0.822 . . . . 1.0 113.624 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.83 154.13 42.21 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.836 1.254 . . . . 1.0 113.023 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mt -121.48 139.53 29.94 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 126.307 1.843 . . . . 1.0 109.224 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.57 136.82 47.86 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.053 2.502 . . . . 1.0 112.512 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.17 67.77 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.59 0.959 . . . . 1.0 113.59 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -61.14 -40.33 93.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.157 0.983 . . . . 1.0 112.336 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 p -80.46 -29.7 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.728 -0.608 . . . . 1.0 112.388 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.19 -45.21 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.226 0.61 . . . . 1.0 110.292 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.54 -43.86 97.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.064 -1.022 . . . . 1.0 112.298 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.38 -40.62 87.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 1.0 112.651 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -61.67 -48.23 81.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.696 0.799 . . . . 1.0 111.334 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -64.01 -33.69 76.3 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.4 87.8 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.277 -0.89 . . . . 1.0 111.3 170.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.59 87.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.052 0.941 . . . . 1.0 113.237 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.0 p -77.61 -41.44 38.55 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.218 0.821 . . . . 1.0 113.218 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.88 -51.98 5.21 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.618 0.97 . . . . 1.0 113.618 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -76.66 -25.57 53.87 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.176 0.806 . . . . 1.0 113.176 -169.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.45 -22.93 67.11 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.22 0.918 . . . . 1.0 113.202 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -93.14 -2.52 55.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.759 1.624 . . . . 1.0 114.387 174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -84.39 156.18 21.95 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.889 1.275 . . . . 1.0 111.615 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -76.02 -37.0 58.9 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.37 1.248 . . . . 1.0 114.37 -171.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 57.46 177.85 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 126.639 1.976 . . . . 1.0 114.102 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 124.687 1.195 . . . . 1.0 112.543 178.081 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 112.005 0.372 . . . . 1.0 112.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.51 -24.61 66.13 Favored Glycine 0 N--CA 1.477 1.387 0 C-N-CA 124.584 1.088 . . . . 1.0 115.509 -172.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m -60.88 -18.94 59.13 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.085 1.354 . . . . 1.0 113.956 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.37 -10.86 84.5 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.458 1.028 . . . . 1.0 114.819 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -127.97 -39.97 1.73 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.443 1.497 . . . . 1.0 113.613 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.32 135.43 23.89 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 123.923 0.773 . . . . 1.0 113.456 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -70.22 -36.59 74.65 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.596 1.159 . . . . 1.0 113.009 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.28 128.74 0.77 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.244 1.402 . . . . 1.0 112.361 -171.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.64 118.64 19.49 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.98 -0.718 . . . . 1.0 111.138 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.321 11.0 tt -145.91 6.59 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 117.619 2.452 . . . . 1.0 117.619 -177.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t70 58.34 -35.43 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 129.666 3.187 . . . . 1.0 115.496 -170.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -76.72 48.42 0.56 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.176 2.991 . . . . 1.0 111.178 171.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -103.94 -6.09 21.62 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.023 2.129 . . . . 1.0 113.957 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.15 -17.6 64.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.915 0.886 . . . . 1.0 113.235 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.1 p -57.81 -39.66 78.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.175 0.99 . . . . 1.0 112.363 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.99 95.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.395 1.078 . . . . 1.0 112.047 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.84 85.55 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.396 0.678 . . . . 1.0 112.127 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.37 -42.95 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.743 0.817 . . . . 1.0 110.767 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -62.46 -45.84 91.22 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 1.0 112.171 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.98 -45.53 92.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.58 0.627 . . . . 1.0 111.773 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -55.99 -45.83 78.86 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.802 0.841 . . . . 1.0 111.863 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.9 99.3 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.548 -0.72 . . . . 1.0 111.681 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.03 -43.98 97.69 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.244 1.018 . . . . 1.0 112.16 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.3 -31.86 72.51 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.599 1.16 . . . . 1.0 113.05 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -92.39 -1.9 56.7 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.819 1.248 . . . . 1.0 114.152 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.57 19.51 72.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.186 0.898 . . . . 1.0 114.66 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -88.71 147.59 24.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.086 1.354 . . . . 1.0 111.44 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.74 135.98 50.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.137 0.575 . . . . 1.0 111.596 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -153.83 144.45 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.172 1.389 . . . . 1.0 110.661 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 t -81.35 139.79 35.13 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.777 -0.577 . . . . 1.0 111.59 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.66 -12.53 59.81 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.109 1.364 . . . . 1.0 114.039 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -130.71 159.26 37.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.862 1.665 . . . . 1.0 112.374 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 63.32 -160.58 35.67 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.551 1.072 . . . . 1.0 114.001 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.8 151.4 44.85 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.285 1.034 . . . . 1.0 112.107 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.95 142.8 60.68 Favored Pre-proline 0 N--CA 1.477 0.898 0 C-N-CA 124.478 1.111 . . . . 1.0 110.124 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.36 142.35 65.7 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.596 2.198 . . . . 1.0 112.191 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.07 -26.56 67.73 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.315 0.857 . . . . 1.0 113.315 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.6 -44.17 72.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.564 1.146 . . . . 1.0 111.96 170.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.79 -34.65 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 123.967 0.907 . . . . 1.0 111.411 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.0 mt -62.84 -47.17 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.853 -0.529 . . . . 1.0 110.406 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.4 -44.61 92.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.072 0.949 . . . . 1.0 111.9 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.16 -46.54 85.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.601 1.16 . . . . 1.0 112.981 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.69 -47.0 85.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.346 1.058 . . . . 1.0 111.306 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -63.69 -36.48 83.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.94 95.66 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.527 1.058 . . . . 1.0 111.209 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.17 82.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.963 0.905 . . . . 1.0 113.405 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.2 p -83.14 -34.29 26.08 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.877 1.066 . . . . 1.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.6 tp -92.84 -40.91 10.37 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.014 1.116 . . . . 1.0 114.014 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -87.65 153.11 21.64 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -142.87 111.71 6.42 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.018 1.327 . . . . 1.0 111.415 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.6 m170 47.96 46.37 19.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.364 1.866 . . . . 1.0 114.458 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.41 149.14 50.85 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.314 1.046 . . . . 1.0 112.372 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -65.12 150.09 48.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.61 1.164 . . . . 1.0 111.99 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -137.66 143.38 41.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.719 1.608 . . . . 1.0 110.983 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 127.061 2.145 . . . . 1.0 114.523 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.5 167.94 54.13 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.217 0.913 . . . . 1.0 114.196 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.9 m -76.53 -15.12 59.95 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.73 1.381 . . . . 1.0 114.73 -175.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.39 -157.44 52.8 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.194 0.902 . . . . 1.0 113.856 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -76.35 -21.64 55.87 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.792 1.034 . . . . 1.0 113.792 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.83 18.31 75.94 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.501 1.048 . . . . 1.0 115.361 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -83.61 151.84 25.12 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.071 1.348 . . . . 1.0 112.222 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.33 155.35 52.41 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.178 0.894 . . . . 1.0 113.649 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.57 30.8 2.33 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.652 1.181 . . . . 1.0 113.341 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.2 mt -130.38 135.24 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.423 1.489 . . . . 1.0 109.796 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -142.74 -41.71 0.32 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.848 1.055 . . . . 1.0 113.848 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.14 -23.55 51.7 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.197 1.184 . . . . 1.0 114.197 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.87 128.23 34.89 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.346 0.658 . . . . 1.0 111.182 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -67.24 -29.71 69.42 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.758 -0.589 . . . . 1.0 112.206 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -58.39 -47.21 84.6 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.874 0.869 . . . . 1.0 111.732 169.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.91 91.3 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.654 0.781 . . . . 1.0 112.183 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.59 98.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.199 0.599 . . . . 1.0 112.486 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -71.39 -39.24 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.49 0.716 . . . . 1.0 111.247 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -59.95 -48.02 83.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.045 0.839 . . . . 1.0 111.276 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -62.45 -45.35 93.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.909 0.884 . . . . 1.0 112.482 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -56.16 -48.17 76.83 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.196 0.907 . . . . 1.0 112.098 173.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.51 98.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.736 0.814 . . . . 1.0 111.73 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -60.12 -45.93 91.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.243 1.417 . . . . 1.0 112.281 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -70.79 -26.05 63.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.29 1.036 . . . . 1.0 113.459 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -92.08 1.38 57.24 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.466 1.106 . . . . 1.0 113.757 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.36 18.85 77.17 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.448 1.023 . . . . 1.0 114.861 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -84.65 150.87 24.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.942 1.297 . . . . 1.0 111.351 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.18 128.09 34.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.109 0.564 . . . . 1.0 111.336 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -154.43 144.67 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.311 1.444 . . . . 1.0 110.533 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.3 t -81.46 143.38 32.13 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.819 -0.55 . . . . 1.0 111.558 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -83.09 -18.44 39.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.805 1.242 . . . . 1.0 113.176 173.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -120.06 -36.38 3.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.287 1.435 . . . . 1.0 113.8 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.18 177.27 54.34 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.035 1.302 . . . . 1.0 113.642 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -71.77 154.56 41.23 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.437 1.095 . . . . 1.0 111.683 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.8 mt -79.7 138.44 54.39 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.012 0.925 . . . . 1.0 109.699 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.86 140.05 59.47 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.425 2.083 . . . . 1.0 111.95 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.1 -29.15 69.58 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.8 -37.18 78.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.047 0.939 . . . . 1.0 112.458 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 t -79.88 -35.32 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.745 1.218 . . . . 1.0 111.455 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.2 mt -61.29 -44.94 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.488 -0.758 . . . . 1.0 110.726 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.58 -43.73 98.32 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.138 0.975 . . . . 1.0 112.172 172.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.66 79.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.515 1.126 . . . . 1.0 112.545 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.25 -50.02 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.154 0.982 . . . . 1.0 111.416 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -63.97 -32.45 74.0 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.56 79.04 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.974 -1.079 . . . . 1.0 111.149 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.25 -33.0 73.77 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.927 1.084 . . . . 1.0 113.927 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.8 p -85.28 -45.66 11.74 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.892 1.071 . . . . 1.0 113.892 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.43 -38.13 19.01 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.19 0.905 . . . . 1.0 113.288 -172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -90.34 13.28 15.85 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.52 1.128 . . . . 1.0 113.118 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -59.54 -21.48 60.3 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.981 1.312 . . . . 1.0 114.275 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -120.45 28.4 8.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.797 2.039 . . . . 1.0 113.376 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -60.59 147.01 43.19 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.555 1.142 . . . . 1.0 112.364 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -66.78 142.0 57.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.674 1.189 . . . . 1.0 113.22 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -83.5 -28.81 28.43 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.741 1.015 . . . . 1.0 113.741 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 124.885 1.274 . . . . 1.0 111.134 172.461 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 111.858 0.318 . . . . 1.0 111.858 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.95 165.05 54.89 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.353 0.978 . . . . 1.0 114.295 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.8 p -79.58 160.94 26.24 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.878 1.271 . . . . 1.0 113.136 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.62 177.78 48.52 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.667 1.127 . . . . 1.0 113.438 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -72.36 141.09 48.77 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.724 1.209 . . . . 1.0 111.191 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 57.44 -124.77 37.05 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.089 0.852 . . . . 1.0 112.661 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -91.84 12.24 22.15 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.308 1.443 . . . . 1.0 113.543 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.99 3.93 82.46 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 124.894 1.235 . . . . 1.0 114.682 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.2 143.95 36.32 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.832 1.653 . . . . 1.0 110.648 172.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.4 mm -132.11 135.84 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.861 1.264 . . . . 1.0 111.261 -170.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -106.8 82.3 1.68 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.902 1.281 . . . . 1.0 109.347 169.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 60.13 -8.25 0.06 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 118.101 2.63 . . . . 1.0 118.101 172.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.24 -46.31 72.53 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 121.057 1.753 . . . . 1.0 112.692 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -66.98 -39.35 87.15 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.556 0.742 . . . . 1.0 111.791 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.6 m -65.95 -42.91 89.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.142 0.977 . . . . 1.0 111.346 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.86 98.15 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.22 1.008 . . . . 1.0 111.729 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.43 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.26 -41.48 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.414 0.686 . . . . 1.0 111.093 174.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -62.69 -46.86 86.18 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.617 0.767 . . . . 1.0 111.774 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.78 -46.58 89.92 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.274 1.03 . . . . 1.0 111.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -56.97 -47.67 80.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.009 0.924 . . . . 1.0 112.32 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.03 95.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.388 0.675 . . . . 1.0 111.096 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -60.47 -46.27 90.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.564 1.145 . . . . 1.0 112.097 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -65.04 -28.35 69.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.733 1.213 . . . . 1.0 113.415 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -92.99 1.98 57.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.532 1.133 . . . . 1.0 113.767 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.42 17.72 74.68 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.414 1.007 . . . . 1.0 114.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -85.24 151.53 24.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.98 1.312 . . . . 1.0 111.82 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.4 137.27 52.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.353 0.661 . . . . 1.0 111.427 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.0 141.53 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.896 1.278 . . . . 1.0 110.959 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.6 m -65.23 135.79 55.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.663 1.185 . . . . 1.0 112.84 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -87.52 -20.09 26.99 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.804 1.242 . . . . 1.0 113.553 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -130.61 155.21 46.92 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.413 2.285 . . . . 1.0 110.6 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.79 -161.82 48.79 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.847 0.737 . . . . 1.0 114.266 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -75.7 146.09 40.43 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.083 1.353 . . . . 1.0 111.915 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.7 142.95 96.34 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 124.085 0.954 . . . . 1.0 109.787 174.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.65 138.76 55.36 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.29 1.993 . . . . 1.0 112.073 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.13 68.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.22 -37.16 79.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.901 0.88 . . . . 1.0 112.491 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.35 -35.57 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.467 1.107 . . . . 1.0 111.522 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.53 -46.0 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.55 -0.719 . . . . 1.0 110.454 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.61 -44.05 97.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.224 1.01 . . . . 1.0 112.328 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.25 84.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 1.0 112.634 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.47 -51.0 71.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.123 0.969 . . . . 1.0 111.224 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -62.03 -35.93 80.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.041 0.756 . . . . 1.0 113.041 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.53 89.89 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.155 0.888 . . . . 1.0 111.187 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.47 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.932 0.893 . . . . 1.0 113.409 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -78.32 -30.94 48.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.5 tp -82.35 -56.21 4.04 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.373 1.069 . . . . 1.0 112.122 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.22 96.69 6.65 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.619 0.723 . . . . 1.0 111.815 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -75.33 -5.42 44.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.504 1.298 . . . . 1.0 114.504 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -83.15 -4.15 58.08 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 114.982 1.475 . . . . 1.0 114.982 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -64.02 150.61 44.93 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.462 1.028 . . . . 1.0 112.81 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 51.13 42.41 28.67 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 126.418 1.887 . . . . 1.0 114.412 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -70.58 151.37 45.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.343 1.057 . . . . 1.0 111.986 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.705 1.602 . . . . 1.0 111.027 175.144 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 111.841 0.311 . . . . 1.0 111.841 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.3 173.18 45.22 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.525 1.06 . . . . 1.0 113.731 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m 57.14 23.45 8.59 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.846 1.795 . . . . 1.0 115.846 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.16 161.52 49.02 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.482 1.039 . . . . 1.0 113.685 176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 60.93 161.48 0.06 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 127.731 2.412 . . . . 1.0 116.167 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.24 144.74 45.0 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-N 114.929 -1.032 . . . . 1.0 110.964 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -52.09 104.54 0.09 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.738 1.615 . . . . 1.0 112.382 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.36 18.12 57.73 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.358 0.98 . . . . 1.0 114.905 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 144.25 44.18 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.582 1.191 . . . . 1.0 113.061 -171.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.6 mt -120.75 143.05 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.456 1.502 . . . . 1.0 109.744 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -95.42 -47.73 6.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.556 1.142 . . . . 1.0 111.818 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.76 43.8 1.01 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.67 1.588 . . . . 1.0 111.284 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.18 -23.67 64.88 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.909 1.283 . . . . 1.0 113.367 -169.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -60.61 -35.37 75.97 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.532 -0.73 . . . . 1.0 111.584 169.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -65.54 -43.52 89.69 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.195 -0.941 . . . . 1.0 111.297 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.61 91.96 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.543 -0.723 . . . . 1.0 112.474 174.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.89 91.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.537 0.735 . . . . 1.0 112.611 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.73 -38.48 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.642 0.777 . . . . 1.0 111.063 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -58.57 -49.63 76.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.324 1.05 . . . . 1.0 110.962 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.24 -45.78 91.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.016 0.526 . . . . 1.0 111.766 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.09 -46.57 82.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.091 0.956 . . . . 1.0 112.23 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.69 99.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.393 0.677 . . . . 1.0 111.505 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -63.32 -45.88 89.26 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.585 1.154 . . . . 1.0 111.725 174.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.01 -32.87 71.27 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.96 1.304 . . . . 1.0 113.091 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -91.99 1.49 57.16 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.734 1.214 . . . . 1.0 114.022 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.37 19.37 74.3 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.489 1.043 . . . . 1.0 114.967 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -84.2 152.0 24.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.011 1.324 . . . . 1.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.32 123.09 20.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.678 0.791 . . . . 1.0 111.13 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p -152.98 149.26 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.37 1.468 . . . . 1.0 110.875 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -70.88 149.37 46.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.236 0.541 . . . . 1.0 111.921 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 p -73.25 -37.48 66.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.848 0.859 . . . . 1.0 112.163 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -133.74 -23.21 1.83 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.137 1.375 . . . . 1.0 114.518 -173.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.4 -170.71 37.5 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.934 1.254 . . . . 1.0 114.304 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.36 154.24 42.34 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.658 1.183 . . . . 1.0 112.117 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -98.42 137.95 20.76 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 1.0 109.619 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.1 140.1 58.39 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.511 2.14 . . . . 1.0 112.172 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.73 -28.83 68.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.925 0.713 . . . . 1.0 112.925 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.5 78.63 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 1.0 112.543 172.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 t -79.59 -35.34 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.635 1.174 . . . . 1.0 111.375 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.9 mt -61.59 -45.13 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.62 -0.675 . . . . 1.0 110.673 170.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.37 -43.42 98.9 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.105 -0.997 . . . . 1.0 112.236 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.45 82.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.198 0.999 . . . . 1.0 112.604 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -60.21 -51.33 70.03 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.17 0.988 . . . . 1.0 111.095 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -62.54 -35.61 79.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.892 0.701 . . . . 1.0 112.892 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.54 96.54 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.272 -0.892 . . . . 1.0 111.815 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.29 80.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.621 0.971 . . . . 1.0 113.621 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -81.65 -27.4 34.1 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.332 1.234 . . . . 1.0 114.332 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -101.73 -44.7 5.47 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.937 0.895 . . . . 1.0 113.286 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 46.01 34.6 2.07 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.091 1.756 . . . . 1.0 113.667 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 51.4 t60 58.99 -26.01 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 128.694 2.797 . . . . 1.0 116.657 -169.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -103.48 -20.56 14.0 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.793 1.637 . . . . 1.0 115.277 -169.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -103.97 122.46 45.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.284 1.433 . . . . 1.0 111.407 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -136.85 30.1 2.82 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.234 1.414 . . . . 1.0 113.417 -174.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -131.13 160.71 33.93 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.636 1.574 . . . . 1.0 112.25 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.7 m80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.082 1.753 . . . . 1.0 111.68 178.086 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 112.034 0.383 . . . . 1.0 112.034 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.66 -18.81 79.57 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 115.385 0.914 . . . . 1.0 115.385 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 t -145.57 160.46 41.61 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.715 1.606 . . . . 1.0 111.51 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.6 175.92 46.06 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.072 1.32 . . . . 1.0 113.506 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -130.21 145.03 51.69 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.661 1.585 . . . . 1.0 112.225 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 156.27 159.81 9.64 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.973 1.749 . . . . 1.0 111.785 -174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -141.66 148.84 39.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.815 1.646 . . . . 1.0 113.121 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.59 -8.91 76.26 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.003 1.287 . . . . 1.0 115.023 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.44 165.63 23.4 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.615 1.166 . . . . 1.0 113.264 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.73 139.23 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 124.006 0.923 . . . . 1.0 110.017 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -135.21 -47.84 0.71 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.605 1.335 . . . . 1.0 114.605 -169.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -79.66 -23.1 42.74 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.813 1.042 . . . . 1.0 113.813 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.02 137.41 53.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.088 0.955 . . . . 1.0 111.918 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.28 -35.44 80.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.399 -0.813 . . . . 1.0 112.156 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 m -60.37 -42.62 96.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.451 0.7 . . . . 1.0 112.108 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.05 84.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.701 0.8 . . . . 1.0 112.263 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.3 98.82 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.171 0.588 . . . . 1.0 112.467 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.96 -42.47 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 1.0 110.972 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -58.18 -47.52 83.18 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.171 0.896 . . . . 1.0 111.923 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.49 -47.74 82.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.488 0.715 . . . . 1.0 112.215 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -57.44 -46.67 83.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.119 0.872 . . . . 1.0 111.999 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.08 91.63 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.755 0.822 . . . . 1.0 111.628 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -62.37 -43.36 99.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.223 1.009 . . . . 1.0 112.452 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -69.52 -24.89 63.8 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.188 0.995 . . . . 1.0 113.653 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.92 3.38 44.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.607 1.163 . . . . 1.0 114.013 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.68 18.75 77.52 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.586 1.088 . . . . 1.0 115.302 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -85.74 153.05 22.58 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.033 1.333 . . . . 1.0 112.027 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -73.51 122.45 22.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.929 0.892 . . . . 1.0 112.407 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -153.16 144.34 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.132 1.773 . . . . 1.0 110.088 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.8 t -90.27 147.38 23.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.448 0.699 . . . . 1.0 111.842 173.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 p -74.86 -14.01 60.62 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.66 1.184 . . . . 1.0 113.244 173.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -112.43 159.6 18.57 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.415 1.886 . . . . 1.0 111.736 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.66 -159.52 34.72 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.666 1.127 . . . . 1.0 114.646 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.57 154.2 30.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.757 1.223 . . . . 1.0 112.084 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.56 142.36 53.53 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.655 1.182 . . . . 1.0 109.776 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.21 135.61 44.07 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.339 2.693 . . . . 1.0 112.578 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.41 67.83 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.73 1.011 . . . . 1.0 113.73 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.76 -41.43 95.45 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.835 0.854 . . . . 1.0 112.518 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.9 -30.22 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 1.0 112.209 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.97 -44.79 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.241 0.617 . . . . 1.0 110.842 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.01 -44.45 96.7 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.178 0.991 . . . . 1.0 112.121 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.38 93.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.72 0.808 . . . . 1.0 112.592 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 1.0 111.835 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -61.01 -43.51 98.78 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.411 -0.806 . . . . 1.0 112.151 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.51 -47.11 87.12 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.681 1.128 . . . . 1.0 111.642 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.72 88.25 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.025 0.93 . . . . 1.0 113.351 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.6 p -88.2 -31.58 19.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.362 1.245 . . . . 1.0 114.362 -176.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.93 -39.08 10.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.279 0.945 . . . . 1.0 112.997 -175.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -81.73 69.16 8.34 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.828 0.823 . . . . 1.0 111.311 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -56.31 -23.48 37.26 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.421 1.267 . . . . 1.0 114.421 -173.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -86.92 2.38 49.48 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.746 1.618 . . . . 1.0 114.519 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -61.49 147.15 46.23 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.21 1.368 . . . . 1.0 112.889 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -148.94 162.37 40.0 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.438 1.495 . . . . 1.0 111.98 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -78.28 64.18 3.34 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.429 1.492 . . . . 1.0 112.584 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.0 m80 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.587 1.955 . . . . 1.0 112.774 -170.122 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 111.93 0.345 . . . . 1.0 111.93 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.43 -164.22 54.59 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.343 0.973 . . . . 1.0 114.392 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 t -146.34 152.84 39.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.197 1.399 . . . . 1.0 112.028 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.83 154.4 53.29 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.224 1.393 . . . . 1.0 113.822 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -113.92 169.47 8.97 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.086 1.754 . . . . 1.0 112.2 -171.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.57 33.01 61.25 Favored Glycine 0 N--CA 1.477 1.386 0 C-N-CA 123.753 0.692 . . . . 1.0 113.449 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -132.1 166.11 22.52 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.222 1.809 . . . . 1.0 113.022 -173.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.45 167.28 53.94 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.118 0.866 . . . . 1.0 113.541 169.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.29 155.01 37.87 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.99 1.716 . . . . 1.0 111.528 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 mp -98.49 131.26 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.251 1.02 . . . . 1.0 109.975 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -95.49 -58.57 2.09 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.93 0.892 . . . . 1.0 110.251 169.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -144.11 0.84 1.08 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.987 2.218 . . . . 1.0 116.987 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.66 -43.84 80.76 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.795 1.035 . . . . 1.0 113.795 -169.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.23 -35.67 80.07 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.64 -0.663 . . . . 1.0 112.39 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 t -66.29 -48.48 70.25 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.985 0.914 . . . . 1.0 110.688 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.3 83.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.183 0.993 . . . . 1.0 112.684 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.54 96.75 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.569 -0.707 . . . . 1.0 112.39 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.82 -39.65 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 118.732 0.697 . . . . 1.0 111.094 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.46 -51.09 71.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.941 0.897 . . . . 1.0 111.453 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.24 -38.43 85.17 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.289 0.495 . . . . 1.0 111.982 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -57.54 -47.21 82.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.998 0.919 . . . . 1.0 111.25 169.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.32 97.12 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.55 -0.719 . . . . 1.0 112.001 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -57.48 -44.89 85.26 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.082 1.353 . . . . 1.0 111.991 173.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -69.69 -28.98 66.3 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.86 1.264 . . . . 1.0 113.615 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -90.56 -5.47 55.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.635 1.174 . . . . 1.0 113.706 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.74 18.94 79.05 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.625 1.107 . . . . 1.0 114.677 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -87.13 143.34 27.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.763 1.225 . . . . 1.0 110.833 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -66.26 131.07 45.29 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.453 0.701 . . . . 1.0 111.701 -176.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -150.49 141.49 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.872 1.269 . . . . 1.0 110.767 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.9 t -92.27 147.49 22.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.946 0.898 . . . . 1.0 112.788 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 p -99.08 -5.92 29.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.785 1.634 . . . . 1.0 113.115 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -95.49 -1.6 50.39 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.233 1.413 . . . . 1.0 114.398 -170.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.56 -163.72 27.6 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.521 1.534 . . . . 1.0 112.952 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -66.96 151.8 46.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.035 0.934 . . . . 1.0 111.839 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -72.19 131.11 85.47 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.867 0.867 . . . . 1.0 110.382 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.77 148.83 53.23 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.824 2.349 . . . . 1.0 112.259 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.92 67.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.678 1.362 . . . . 1.0 114.678 -169.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.3 -32.37 71.15 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.303 0.956 . . . . 1.0 112.582 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 t -78.73 -35.36 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 123.797 0.839 . . . . 1.0 111.515 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -42.82 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.623 0.769 . . . . 1.0 110.012 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.33 -45.07 94.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.169 0.988 . . . . 1.0 112.469 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.78 82.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.5 1.12 . . . . 1.0 112.241 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.84 -46.94 88.61 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.393 1.077 . . . . 1.0 111.237 173.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -69.46 -22.66 63.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.777 1.399 . . . . 1.0 114.777 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.19 -43.09 87.36 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.299 1.409 . . . . 1.0 110.219 169.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.66 91.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.751 0.82 . . . . 1.0 113.008 174.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 42.4 p -68.83 -36.91 78.77 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.152 0.887 . . . . 1.0 112.456 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -73.36 -44.15 59.3 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 125.088 1.355 . . . . 1.0 111.604 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -67.05 -15.26 63.61 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -68.3 -21.6 64.76 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.034 -1.041 . . . . 1.0 112.368 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -106.99 -33.93 7.34 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.797 1.639 . . . . 1.0 113.832 174.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . 0.259 32.9 p80 46.86 40.27 8.77 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 128.199 2.6 . . . . 1.0 116.395 171.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -132.15 149.38 52.41 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.535 1.534 . . . . 1.0 111.616 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -71.16 146.77 48.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.674 1.19 . . . . 1.0 112.395 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.5 m80 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.427 1.891 . . . . 1.0 111.018 177.789 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.05 178.64 48.54 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.592 1.091 . . . . 1.0 113.439 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.5 p -86.73 -2.21 58.35 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.919 1.451 . . . . 1.0 114.919 -175.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.16 -114.34 6.32 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.569 1.081 . . . . 1.0 112.646 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -58.78 -21.93 56.97 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.928 1.291 . . . . 1.0 113.275 175.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.11 -11.89 75.31 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.979 1.276 . . . . 1.0 115.514 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -71.19 150.32 45.45 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.12 1.46 . . . . 1.0 112.074 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.03 142.13 37.27 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 123.834 0.731 . . . . 1.0 112.807 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.45 32.07 1.88 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.562 1.145 . . . . 1.0 113.49 -175.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.52 145.79 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.421 1.488 . . . . 1.0 111.35 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -84.92 41.95 0.9 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.686 1.194 . . . . 1.0 112.561 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 50.11 35.52 10.27 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.199 2.2 . . . . 1.0 114.392 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.44 -29.99 71.19 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.083 -1.011 . . . . 1.0 112.892 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.86 -43.64 92.31 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.484 -0.76 . . . . 1.0 112.366 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m -64.52 -39.99 94.79 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.286 -0.884 . . . . 1.0 111.335 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.63 99.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.718 0.807 . . . . 1.0 112.156 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.16 95.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.711 0.804 . . . . 1.0 112.482 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.06 -44.93 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.33 0.652 . . . . 1.0 110.745 174.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -60.94 -47.43 86.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.681 0.793 . . . . 1.0 111.917 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.75 -46.01 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.4 0.68 . . . . 1.0 111.93 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -57.84 -45.89 85.54 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.97 0.908 . . . . 1.0 112.067 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.26 99.16 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.039 0.535 . . . . 1.0 111.434 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -62.8 -44.44 96.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.437 1.095 . . . . 1.0 112.481 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -60.75 -31.47 70.8 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.952 1.301 . . . . 1.0 112.866 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -93.06 1.57 57.18 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.816 1.247 . . . . 1.0 113.868 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 17.57 73.75 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.744 1.164 . . . . 1.0 114.914 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -85.53 147.88 26.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.003 1.321 . . . . 1.0 111.621 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.13 136.14 49.87 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.49 0.716 . . . . 1.0 110.749 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.34 145.53 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.706 1.202 . . . . 1.0 111.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.2 m -70.8 112.48 7.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.374 1.07 . . . . 1.0 111.117 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.1 p -80.7 -44.97 17.88 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.761 1.224 . . . . 1.0 112.815 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -104.81 -27.8 11.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.369 1.468 . . . . 1.0 113.536 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.03 173.83 41.66 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.16 1.362 . . . . 1.0 113.632 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 139.75 58.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.659 1.184 . . . . 1.0 111.479 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.36 137.59 83.92 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.879 0.872 . . . . 1.0 110.155 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.14 140.82 50.55 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.633 2.222 . . . . 1.0 112.16 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -28.76 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.207 0.818 . . . . 1.0 113.207 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.7 -37.97 80.31 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.9 0.88 . . . . 1.0 112.356 172.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 t -79.6 -34.58 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.971 0.908 . . . . 1.0 111.542 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.98 -45.69 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.777 -0.577 . . . . 1.0 110.531 170.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.347 1.059 . . . . 1.0 112.409 173.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.76 85.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.671 1.189 . . . . 1.0 112.495 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -64.48 -45.46 87.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.896 0.878 . . . . 1.0 111.603 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -60.71 -35.78 77.16 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.81 0.732 . . . . 1.0 112.857 175.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.21 99.63 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.09 -1.006 . . . . 1.0 111.266 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.46 88.12 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.691 -1.255 . . . . 1.0 113.306 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.4 p -79.93 -25.91 40.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.377 1.251 . . . . 1.0 114.377 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -104.94 -42.74 5.25 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.325 1.05 . . . . 1.0 113.596 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -97.05 -9.41 28.16 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.592 1.157 . . . . 1.0 113.456 -176.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.9 m80 52.89 36.9 22.88 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.674 1.589 . . . . 1.0 114.014 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.0 t60 57.54 32.23 21.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.768 2.027 . . . . 1.0 115.32 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -74.84 138.95 42.86 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.2 -0.937 . . . . 1.0 110.981 169.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.37 137.27 39.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.789 0.835 . . . . 1.0 112.019 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -153.72 166.71 31.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.814 1.646 . . . . 1.0 111.722 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.008 0.923 . . . . 1.0 111.933 169.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.907 0.384 . . . . 1.0 111.694 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.64 166.7 54.85 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.587 1.089 . . . . 1.0 114.364 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.6 m -93.76 2.86 56.14 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.661 1.184 . . . . 1.0 114.145 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.09 -168.26 47.87 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.813 1.196 . . . . 1.0 115.076 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.26 127.22 31.03 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.764 1.225 . . . . 1.0 111.201 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.97 11.11 60.3 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.334 0.969 . . . . 1.0 115.125 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 47.85 51.02 14.86 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.595 1.958 . . . . 1.0 113.357 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.12 139.81 45.76 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.579 0.609 . . . . 1.0 112.672 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.08 152.91 52.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.824 1.25 . . . . 1.0 112.56 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.3 mt -128.37 133.65 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.904 1.281 . . . . 1.0 109.45 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.34 60.06 1.01 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.308 1.443 . . . . 1.0 110.612 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 59.87 -19.63 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.801 2.84 . . . . 1.0 117.082 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.28 -37.98 68.01 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.541 1.536 . . . . 1.0 114.031 -172.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.83 -25.67 62.95 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.376 -0.827 . . . . 1.0 112.689 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 p -79.44 -41.8 26.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.564 0.62 . . . . 1.0 110.033 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.5 72.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.396 1.079 . . . . 1.0 112.745 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.41 76.02 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.353 1.061 . . . . 1.0 112.542 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.8 mt -77.31 -38.41 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.428 1.091 . . . . 1.0 110.955 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -59.59 -47.33 86.0 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.09 0.859 . . . . 1.0 110.848 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.32 -43.67 90.29 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.567 0.747 . . . . 1.0 112.125 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -57.12 -46.43 82.65 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 1.0 112.16 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.22 -39.43 93.95 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.481 -0.762 . . . . 1.0 111.797 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -67.37 -43.63 80.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.895 1.278 . . . . 1.0 110.696 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.61 -34.44 72.77 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.753 1.621 . . . . 1.0 112.649 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -90.86 3.1 55.42 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.714 1.206 . . . . 1.0 114.158 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 16.84 76.81 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.62 1.105 . . . . 1.0 115.28 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.37 148.5 25.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.194 1.398 . . . . 1.0 111.689 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.37 129.25 38.35 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.783 0.833 . . . . 1.0 111.112 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.02 149.42 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.976 1.31 . . . . 1.0 111.265 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.0 t -75.31 148.23 39.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.862 -0.524 . . . . 1.0 111.692 172.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -76.42 -23.76 53.97 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.384 1.074 . . . . 1.0 113.245 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.2 ptp85 -141.24 -23.79 0.74 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 116.418 2.007 . . . . 1.0 116.418 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.9 -175.96 45.06 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.555 1.074 . . . . 1.0 113.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -67.09 137.06 56.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.024 0.93 . . . . 1.0 111.301 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.02 139.91 46.22 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 124.101 0.961 . . . . 1.0 109.486 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.55 138.65 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.434 2.089 . . . . 1.0 112.109 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.84 -29.06 69.92 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.913 0.708 . . . . 1.0 112.913 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.15 -37.15 79.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.968 0.907 . . . . 1.0 112.279 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.63 -35.27 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.716 1.206 . . . . 1.0 111.488 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.3 mt -61.02 -45.44 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.596 -0.69 . . . . 1.0 110.627 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.83 -43.62 98.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.117 0.967 . . . . 1.0 111.885 172.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.421 1.088 . . . . 1.0 112.693 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -59.89 -50.23 74.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.542 1.137 . . . . 1.0 111.275 173.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -62.92 -37.16 85.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.943 0.72 . . . . 1.0 112.943 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.33 86.22 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.332 0.969 . . . . 1.0 112.273 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.47 78.8 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.233 1.013 . . . . 1.0 113.241 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.5 p -85.38 -35.63 21.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.7 tp -86.37 -33.75 20.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.478 1.036 . . . . 1.0 113.486 -172.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.64 110.35 2.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.647 0.779 . . . . 1.0 111.745 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -72.06 -16.21 62.03 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.975 0.91 . . . . 1.0 113.441 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.63 -23.81 61.76 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.69 0.996 . . . . 1.0 113.69 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -70.5 145.99 50.54 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.062 0.945 . . . . 1.0 111.603 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -149.26 159.99 43.78 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.413 1.485 . . . . 1.0 111.648 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -78.14 65.27 3.48 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.365 1.466 . . . . 1.0 112.559 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.568 1.947 . . . . 1.0 111.8 -170.409 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 111.948 0.351 . . . . 1.0 111.948 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.17 177.63 48.47 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.143 0.878 . . . . 1.0 113.738 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.8 m 55.75 32.26 19.11 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.102 1.761 . . . . 1.0 114.915 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.91 -118.99 16.87 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.263 0.935 . . . . 1.0 112.806 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -81.78 -6.55 59.16 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.573 1.149 . . . . 1.0 114.021 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.01 16.69 80.5 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.667 1.127 . . . . 1.0 115.398 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -92.97 -6.04 49.33 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.996 1.318 . . . . 1.0 114.356 -176.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.67 171.35 36.57 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.889 1.233 . . . . 1.0 114.489 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.17 158.88 21.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.536 1.135 . . . . 1.0 113.047 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.2 mt 48.75 61.0 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.901 2.08 . . . . 1.0 112.293 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -77.22 53.23 0.98 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.541 1.536 . . . . 1.0 111.868 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER 49.4 19.63 0.37 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 128.771 2.828 . . . . 1.0 116.724 -171.314 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.89 -49.76 55.5 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.17 -0.956 . . . . 1.0 112.279 -173.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.29 -38.8 75.09 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.477 0.547 . . . . 1.0 112.477 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -66.75 -43.0 85.25 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.577 -0.702 . . . . 1.0 111.686 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.93 91.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.018 0.826 . . . . 1.0 112.563 171.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.48 99.52 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.743 0.701 . . . . 1.0 112.583 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.35 -41.34 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.236 1.014 . . . . 1.0 111.368 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -65.61 -45.81 81.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.662 0.785 . . . . 1.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -61.87 -42.92 99.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.053 0.842 . . . . 1.0 112.571 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -55.98 -49.91 72.29 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.468 -0.77 . . . . 1.0 111.522 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.81 94.87 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.463 -0.773 . . . . 1.0 112.046 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.34 -44.32 72.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.249 1.819 . . . . 1.0 112.199 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -77.87 -24.44 48.51 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.496 1.119 . . . . 1.0 113.845 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -91.6 -6.84 51.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.514 1.126 . . . . 1.0 113.869 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.0 20.37 78.87 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.238 0.923 . . . . 1.0 114.204 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.71 147.24 27.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.611 1.164 . . . . 1.0 111.129 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -65.9 125.8 26.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.54 0.736 . . . . 1.0 111.735 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.29 148.06 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.753 1.621 . . . . 1.0 110.053 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 t -68.17 141.27 56.06 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.662 -0.649 . . . . 1.0 111.0 172.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -78.14 -20.13 52.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.409 1.083 . . . . 1.0 113.845 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.17 -31.81 0.97 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.321 1.23 . . . . 1.0 114.321 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.92 -173.23 43.27 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.911 1.243 . . . . 1.0 114.229 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -71.34 157.15 38.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.673 1.189 . . . . 1.0 111.77 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 mt -91.27 127.06 52.65 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 124.344 1.057 . . . . 1.0 110.134 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -74.82 151.54 40.61 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.749 2.3 . . . . 1.0 112.093 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -24.61 64.57 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.124 1.157 . . . . 1.0 114.124 -173.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.42 -42.96 67.57 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.564 1.146 . . . . 1.0 111.984 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.04 -35.09 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.584 0.754 . . . . 1.0 111.668 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.41 -46.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.646 0.778 . . . . 1.0 109.709 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.95 -45.13 95.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.286 1.034 . . . . 1.0 112.236 172.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.96 82.52 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.646 1.178 . . . . 1.0 112.879 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.59 -48.77 80.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.789 0.836 . . . . 1.0 111.602 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -62.73 -35.32 79.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.172 0.805 . . . . 1.0 113.172 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.57 95.21 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.16 -0.962 . . . . 1.0 111.595 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.84 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.208 -0.933 . . . . 1.0 113.154 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.0 p -79.24 -34.37 42.81 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.774 1.027 . . . . 1.0 113.774 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.8 tp -84.47 -50.63 7.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.214 1.006 . . . . 1.0 112.75 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -99.71 -37.92 8.91 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.646 0.98 . . . . 1.0 113.646 -172.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . 0.316 1.2 p-80 55.16 -19.71 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 129.475 3.11 . . . . 1.0 118.449 -173.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -121.12 45.46 2.27 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.607 2.363 . . . . 1.0 111.719 170.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -48.82 -31.39 7.02 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 126.83 2.052 . . . . 1.0 115.899 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -67.81 -29.45 68.62 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.396 1.258 . . . . 1.0 114.396 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 55.78 -52.0 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 129.793 3.237 . . . . 1.0 117.096 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.535 1.534 . . . . 1.0 111.773 171.244 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 111.352 0.13 . . . . 1.0 111.352 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.82 -166.94 52.97 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.715 1.15 . . . . 1.0 114.351 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.6 p -76.92 -17.44 58.93 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.653 1.353 . . . . 1.0 114.653 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.85 7.36 86.25 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.487 1.041 . . . . 1.0 115.143 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -79.39 -16.47 56.17 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.203 1.186 . . . . 1.0 114.203 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.42 -136.14 29.78 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.054 0.835 . . . . 1.0 113.026 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -81.95 150.06 27.88 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.871 1.269 . . . . 1.0 112.324 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.09 172.3 51.74 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.349 0.976 . . . . 1.0 114.064 174.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.25 155.03 45.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.422 1.489 . . . . 1.0 112.456 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.5 mm -100.85 139.8 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.946 1.298 . . . . 1.0 110.603 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -93.29 -56.65 2.87 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.368 0.667 . . . . 1.0 112.22 171.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -155.88 -35.16 0.09 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.644 1.72 . . . . 1.0 115.644 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -37.41 -51.07 1.1 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.86 2.064 . . . . 1.0 113.997 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -95.84 -29.37 14.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.711 0.804 . . . . 1.0 111.912 -171.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 m -60.17 -43.25 95.97 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.561 0.745 . . . . 1.0 111.168 170.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.55 97.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.542 0.737 . . . . 1.0 112.253 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.24 91.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.302 0.641 . . . . 1.0 112.314 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.98 -33.97 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.847 0.859 . . . . 1.0 111.412 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -64.99 -45.9 83.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.116 0.967 . . . . 1.0 111.378 171.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -62.16 -42.5 99.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.82 0.848 . . . . 1.0 112.258 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -56.58 -50.68 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.552 -0.718 . . . . 1.0 111.606 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.59 90.07 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.261 -0.899 . . . . 1.0 112.151 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -53.43 -45.05 69.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.935 1.694 . . . . 1.0 111.885 171.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -81.96 -15.53 53.47 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.826 1.251 . . . . 1.0 114.062 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -107.03 11.96 29.13 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.384 1.473 . . . . 1.0 113.32 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.28 20.03 60.32 Favored Glycine 0 CA--C 1.539 1.534 0 O-C-N 120.954 -1.092 . . . . 1.0 115.219 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -90.52 148.43 22.73 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.926 1.29 . . . . 1.0 111.659 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -68.82 143.28 54.63 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.646 0.778 . . . . 1.0 111.69 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -156.55 149.87 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.216 1.406 . . . . 1.0 110.623 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 p -70.24 147.04 50.23 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.078 0.951 . . . . 1.0 112.808 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.7 p -86.83 -28.46 22.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.287 1.035 . . . . 1.0 113.564 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -137.64 157.19 47.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.962 2.105 . . . . 1.0 110.932 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.45 -160.48 53.61 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.095 0.855 . . . . 1.0 113.581 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -80.35 158.25 26.11 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.318 1.047 . . . . 1.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.1 mt -83.6 139.18 40.92 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.528 1.531 . . . . 1.0 110.829 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.94 146.93 54.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.566 2.178 . . . . 1.0 112.064 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.32 63.75 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.761 1.393 . . . . 1.0 114.761 -169.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.94 -37.99 77.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.971 0.908 . . . . 1.0 112.59 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.81 -33.93 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.518 0.727 . . . . 1.0 111.635 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.71 -43.89 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.632 0.773 . . . . 1.0 110.197 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.37 -43.99 97.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.307 1.043 . . . . 1.0 112.136 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.01 87.31 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.235 1.014 . . . . 1.0 112.781 174.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -59.88 -48.25 82.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 1.0 111.852 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -64.38 -36.95 85.8 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.928 0.714 . . . . 1.0 112.928 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.2 95.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.221 1.373 . . . . 1.0 111.581 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.32 -30.32 71.07 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.237 1.199 . . . . 1.0 114.237 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.8 p -96.43 -32.48 12.31 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.294 1.22 . . . . 1.0 114.294 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.19 -37.89 44.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.794 1.238 . . . . 1.0 112.24 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.69 118.07 3.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.572 0.749 . . . . 1.0 110.878 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 49.12 25.92 1.29 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.712 1.605 . . . . 1.0 114.333 -174.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.9 m80 49.81 34.0 7.09 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.122 1.769 . . . . 1.0 114.329 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -56.0 124.89 19.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.099 1.76 . . . . 1.0 112.534 -175.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -148.02 159.62 43.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.582 1.553 . . . . 1.0 112.266 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -76.63 164.69 25.67 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.552 1.141 . . . . 1.0 112.94 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 124.277 1.031 . . . . 1.0 112.394 170.347 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 112.463 0.542 . . . . 1.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.12 -21.89 19.07 Favored Glycine 0 N--CA 1.478 1.474 0 C-N-CA 124.427 1.013 . . . . 1.0 115.083 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 p -63.63 -25.55 68.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.131 1.373 . . . . 1.0 114.609 -171.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.2 -10.96 85.26 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.42 1.01 . . . . 1.0 115.041 174.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -125.12 -33.54 2.87 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.562 1.545 . . . . 1.0 114.04 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.36 133.96 28.49 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.295 0.95 . . . . 1.0 112.863 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -134.76 152.42 51.74 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.661 1.984 . . . . 1.0 111.75 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.69 167.86 54.77 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.452 1.025 . . . . 1.0 114.908 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.14 160.03 41.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.139 1.776 . . . . 1.0 111.451 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 81.0 mt -73.4 129.54 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.337 0.655 . . . . 1.0 110.808 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -91.03 -64.88 1.07 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.728 0.811 . . . . 1.0 109.272 169.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -138.82 0.25 1.97 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.859 1.664 . . . . 1.0 115.128 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.4 -48.49 71.52 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.082 1.512 . . . . 1.0 115.082 -169.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -67.67 -38.07 83.24 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.353 0.979 . . . . 1.0 111.946 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 71.0 m -64.0 -44.09 93.7 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.037 0.935 . . . . 1.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.03 91.66 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.512 1.125 . . . . 1.0 112.321 173.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.47 95.38 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.682 0.673 . . . . 1.0 112.594 174.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.5 mt -66.96 -41.13 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.774 0.83 . . . . 1.0 110.808 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -61.52 -47.54 85.14 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.341 1.057 . . . . 1.0 111.447 174.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.29 -45.7 90.18 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.491 0.716 . . . . 1.0 111.755 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -55.57 -45.42 77.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.824 0.849 . . . . 1.0 111.652 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.76 96.1 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.672 -0.642 . . . . 1.0 111.596 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -61.7 -43.34 99.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.018 0.927 . . . . 1.0 112.238 173.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.38 -31.16 72.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.562 1.145 . . . . 1.0 113.217 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -94.28 -2.72 51.84 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.006 1.322 . . . . 1.0 114.115 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.94 20.39 74.51 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.549 1.071 . . . . 1.0 114.775 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -86.87 147.28 25.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 1.0 111.249 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -66.51 129.62 40.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.532 0.733 . . . . 1.0 111.404 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -155.18 151.47 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.267 1.427 . . . . 1.0 110.806 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -69.54 150.41 47.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.781 -0.574 . . . . 1.0 111.955 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -74.47 -42.02 59.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.763 0.825 . . . . 1.0 112.033 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -138.52 -11.37 1.38 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 115.894 1.813 . . . . 1.0 115.894 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.93 -179.66 53.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.627 1.108 . . . . 1.0 113.425 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -62.65 135.78 57.55 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.107 0.963 . . . . 1.0 110.983 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 mt -78.32 133.58 63.91 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 123.49 0.716 . . . . 1.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.38 145.29 76.94 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.785 2.324 . . . . 1.0 112.562 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.64 66.19 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.82 -44.1 69.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 1.0 111.797 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.98 -35.22 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.087 0.955 . . . . 1.0 111.694 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.83 -45.53 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.137 0.575 . . . . 1.0 110.146 172.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.99 -44.25 97.12 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.928 0.891 . . . . 1.0 112.327 172.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.79 82.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.417 1.087 . . . . 1.0 112.537 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.1 -44.01 98.01 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.883 1.273 . . . . 1.0 112.152 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -67.45 -39.46 85.37 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.219 0.822 . . . . 1.0 113.219 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.91 -38.22 69.94 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.352 0.978 . . . . 1.0 112.574 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.88 -30.42 61.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.192 1.397 . . . . 1.0 114.105 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.2 p -108.23 -21.44 12.77 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.992 1.317 . . . . 1.0 114.166 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.0 tp -87.1 -34.82 18.99 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.107 1.363 . . . . 1.0 113.791 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.89 161.18 29.19 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -176.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -68.94 148.98 49.38 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.948 1.699 . . . . 1.0 112.357 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 21.8 m80 53.04 34.33 16.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.176 1.79 . . . . 1.0 115.182 174.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -78.76 -21.22 48.25 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.937 1.458 . . . . 1.0 114.937 -174.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -86.82 147.58 25.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.325 1.45 . . . . 1.0 111.861 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -73.28 -29.45 62.74 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 114.655 1.354 . . . . 1.0 114.655 -169.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.256 1.395 0 C-N-CA 125.991 1.716 . . . . 1.0 110.929 176.434 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.712 0.291 . . . . 1.0 111.706 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.15 -169.85 52.64 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.303 0.954 . . . . 1.0 114.197 -176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.9 p -147.5 163.09 37.63 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.379 1.472 . . . . 1.0 112.73 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.97 172.69 45.71 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.777 1.179 . . . . 1.0 113.421 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -130.09 157.96 40.96 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.075 1.75 . . . . 1.0 112.272 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.77 -147.37 46.54 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.064 0.84 . . . . 1.0 113.0 -175.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.0 ptt85 -150.36 169.21 21.96 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.119 1.768 . . . . 1.0 112.859 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.26 172.79 54.35 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.22 0.914 . . . . 1.0 113.177 169.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.42 160.27 43.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.626 1.57 . . . . 1.0 112.034 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.01 132.23 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.871 0.868 . . . . 1.0 109.976 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -88.78 -67.71 0.82 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.231 0.612 . . . . 1.0 109.676 169.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -148.52 3.14 0.65 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.151 1.908 . . . . 1.0 116.151 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.09 -44.28 97.6 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.961 1.097 . . . . 1.0 113.961 -169.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -71.19 -38.74 72.09 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.656 -0.652 . . . . 1.0 111.341 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -61.87 -42.89 99.6 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.945 0.898 . . . . 1.0 111.701 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.03 95.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.428 1.091 . . . . 1.0 112.471 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.45 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.781 0.718 . . . . 1.0 112.337 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.47 -43.72 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.704 0.801 . . . . 1.0 110.944 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -62.9 -47.43 83.32 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.735 0.814 . . . . 1.0 112.316 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.58 -41.36 96.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.705 0.684 . . . . 1.0 112.531 177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -55.84 -47.59 76.98 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.56 -0.713 . . . . 1.0 111.595 170.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.72 91.47 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.386 -0.821 . . . . 1.0 112.064 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -61.37 -41.4 97.02 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.185 1.394 . . . . 1.0 112.148 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -69.83 -28.77 65.97 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.517 1.127 . . . . 1.0 113.699 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -94.26 -3.75 50.09 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.661 1.184 . . . . 1.0 114.091 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.7 20.2 75.57 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.378 0.989 . . . . 1.0 114.518 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -89.0 146.12 25.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.793 1.237 . . . . 1.0 111.438 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.31 132.45 48.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.584 0.754 . . . . 1.0 111.531 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.49 149.11 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.814 1.245 . . . . 1.0 111.191 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -71.25 155.94 40.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.067 0.947 . . . . 1.0 111.913 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 p -92.77 -53.94 3.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.822 . . . . 1.0 113.046 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -116.55 -22.63 8.6 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.84 -164.53 29.51 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.519 1.057 . . . . 1.0 114.085 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -69.35 143.27 53.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.223 1.009 . . . . 1.0 110.615 170.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.5 mt -72.63 137.33 80.38 Favored Pre-proline 0 N--CA 1.481 1.087 0 CA-C-O 118.697 -0.668 . . . . 1.0 110.079 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -67.3 139.76 50.99 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.773 2.316 . . . . 1.0 112.165 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.17 -28.56 69.75 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.866 1.061 . . . . 1.0 113.866 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -62.89 -31.28 72.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.827 0.74 . . . . 1.0 112.461 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.11 -36.33 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 123.665 0.786 . . . . 1.0 111.312 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mt -61.72 -47.26 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.333 0.653 . . . . 1.0 110.215 171.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.59 -44.57 96.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.143 0.977 . . . . 1.0 112.379 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.07 87.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.823 1.249 . . . . 1.0 112.952 175.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.33 -47.59 81.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.815 0.846 . . . . 1.0 111.498 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -61.39 -38.22 86.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.92 0.711 . . . . 1.0 112.92 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.57 95.78 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.284 0.947 . . . . 1.0 111.857 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.43 -40.26 85.47 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.991 0.917 . . . . 1.0 113.315 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 -36.42 37.61 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.62 0.971 . . . . 1.0 113.62 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.7 tp -81.85 -34.89 29.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.483 1.113 . . . . 1.0 112.624 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 46.71 76.03 0.11 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.919 2.088 . . . . 1.0 113.39 176.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -53.28 -26.77 19.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.727 1.381 . . . . 1.0 114.727 -171.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -82.64 1.89 36.15 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.694 1.738 . . . . 1.0 115.694 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -73.82 -30.92 62.97 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 120.19 1.359 . . . . 1.0 113.773 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -94.63 145.24 24.97 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.394 1.478 . . . . 1.0 111.512 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -134.0 159.99 39.09 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.677 1.591 . . . . 1.0 112.185 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 124.608 1.163 . . . . 1.0 112.097 176.206 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 112.668 0.618 . . . . 1.0 112.668 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.85 171.77 43.95 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 119.348 0.976 . . . . 1.0 113.413 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -150.67 163.23 39.04 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.031 1.332 . . . . 1.0 112.109 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.64 -169.44 54.74 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.03 1.3 . . . . 1.0 114.818 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 58.59 16.75 4.49 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 127.039 2.135 . . . . 1.0 115.991 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.56 142.06 34.65 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.43 1.014 . . . . 1.0 112.311 172.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -134.45 143.05 47.31 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.362 1.465 . . . . 1.0 111.771 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.63 -28.66 50.94 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.999 0.809 . . . . 1.0 114.638 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 50.95 46.58 26.12 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.747 1.219 . . . . 1.0 112.166 -169.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.3 mm -81.06 142.7 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.356 1.062 . . . . 1.0 112.039 -169.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -141.04 -56.81 0.5 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.995 0.918 . . . . 1.0 112.499 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.39 -33.21 67.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.261 1.025 . . . . 1.0 113.72 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.85 4.48 44.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.457 1.103 . . . . 1.0 113.739 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -58.83 -37.62 76.84 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.028 -1.045 . . . . 1.0 111.677 174.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.8 m -63.81 -45.87 87.71 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.515 -0.74 . . . . 1.0 111.287 174.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.16 83.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.316 -0.865 . . . . 1.0 112.185 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.1 89.83 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.713 -0.617 . . . . 1.0 112.616 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -67.1 -42.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.894 0.77 . . . . 1.0 111.256 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -64.3 -42.91 96.13 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.672 -0.642 . . . . 1.0 111.728 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.07 -48.21 82.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.822 0.849 . . . . 1.0 111.593 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -55.78 -45.64 78.13 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.304 1.042 . . . . 1.0 112.004 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.04 97.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.213 0.605 . . . . 1.0 111.89 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.07 -42.01 97.13 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.856 0.863 . . . . 1.0 112.58 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -66.82 -28.17 68.15 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.258 1.423 . . . . 1.0 113.583 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -98.06 3.77 49.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.584 1.154 . . . . 1.0 113.878 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.98 20.85 75.04 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.601 1.096 . . . . 1.0 114.998 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.55 155.38 25.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.742 1.217 . . . . 1.0 111.89 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -67.92 121.83 16.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.559 0.744 . . . . 1.0 110.981 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 p -151.57 141.29 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.208 1.403 . . . . 1.0 110.984 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.1 m -67.46 125.26 25.57 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.317 1.047 . . . . 1.0 110.685 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -76.75 -21.95 54.49 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -125.6 160.08 30.53 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.74 2.016 . . . . 1.0 110.885 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.04 -154.43 52.83 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.1 0.857 . . . . 1.0 114.391 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 159.89 31.93 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.121 1.368 . . . . 1.0 112.174 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -96.54 142.58 24.75 Favored Pre-proline 0 N--CA 1.479 0.996 0 C-N-CA 125.329 1.452 . . . . 1.0 110.474 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.07 133.26 34.89 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.531 2.821 . . . . 1.0 112.462 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.16 66.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.957 -1.089 . . . . 1.0 113.543 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.29 -39.56 90.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.035 0.934 . . . . 1.0 112.725 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.83 -29.36 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 121.879 -0.513 . . . . 1.0 112.196 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.4 mt -65.04 -44.21 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.505 0.722 . . . . 1.0 110.358 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.89 -43.37 98.98 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.104 -0.998 . . . . 1.0 111.938 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.97 86.56 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.727 0.811 . . . . 1.0 112.739 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.05 -48.55 81.21 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.411 0.684 . . . . 1.0 111.367 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -62.93 -37.41 86.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.499 -0.751 . . . . 1.0 112.59 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.46 87.52 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.242 -0.911 . . . . 1.0 112.2 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.76 -41.34 75.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.361 1.064 . . . . 1.0 113.692 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.3 p -81.24 -36.65 29.72 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.113 1.153 . . . . 1.0 114.113 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 mt -88.37 -21.54 24.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.576 1.15 . . . . 1.0 112.902 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.3 12.7 pt-20 46.22 43.85 11.65 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.554 2.342 . . . . 1.0 114.897 174.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -54.34 -35.16 62.43 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.431 1.092 . . . . 1.0 113.471 -174.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -60.54 -27.08 67.37 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.852 1.261 . . . . 1.0 114.298 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -93.49 -40.2 10.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.162 1.385 . . . . 1.0 112.918 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -70.88 -34.72 71.88 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.265 1.209 . . . . 1.0 114.265 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -83.24 153.43 24.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.6 1.16 . . . . 1.0 112.16 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.4 t60 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.154 1.781 . . . . 1.0 110.77 175.739 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 112.109 0.411 . . . . 1.0 112.109 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.92 20.64 64.71 Favored Glycine 0 N--CA 1.478 1.484 0 C-N-CA 124.739 1.161 . . . . 1.0 115.851 171.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m 55.68 23.71 6.46 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.765 1.626 . . . . 1.0 114.341 -170.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.94 14.77 73.57 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.499 1.047 . . . . 1.0 115.015 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.6 mtm180 -74.41 144.4 44.33 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.517 1.159 . . . . 1.0 112.95 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.23 137.6 26.63 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.221 0.915 . . . . 1.0 112.963 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -131.38 149.65 52.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.133 1.773 . . . . 1.0 111.443 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.33 150.69 44.07 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.28 0.943 . . . . 1.0 113.411 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.76 155.25 39.82 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.373 1.469 . . . . 1.0 112.12 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.67 136.42 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.524 1.13 . . . . 1.0 108.74 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -86.69 38.11 0.78 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.675 1.19 . . . . 1.0 112.965 -173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.281 15.0 ptp180 48.48 18.23 0.16 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.189 2.996 . . . . 1.0 117.002 -172.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.14 -51.71 50.52 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.068 -1.02 . . . . 1.0 112.424 -173.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -70.02 -39.84 75.57 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.292 0.478 . . . . 1.0 112.292 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.7 p -66.13 -42.7 88.76 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.448 -0.783 . . . . 1.0 111.728 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.15 93.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.051 0.842 . . . . 1.0 112.648 172.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.88 91.24 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.798 0.726 . . . . 1.0 112.593 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.9 -45.5 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.838 0.855 . . . . 1.0 110.598 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -59.65 -50.92 71.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.135 0.974 . . . . 1.0 111.137 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -65.57 -41.2 93.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.562 0.619 . . . . 1.0 112.524 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -56.28 -49.75 73.33 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.733 0.697 . . . . 1.0 111.576 170.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.35 96.86 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.667 . . . . 1.0 112.078 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -62.9 -43.16 99.53 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.877 1.671 . . . . 1.0 112.25 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -75.87 -21.6 57.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 1.0 113.669 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -92.04 4.43 53.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.645 1.178 . . . . 1.0 113.638 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.72 77.26 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.586 1.089 . . . . 1.0 115.225 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.21 151.48 28.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.579 1.152 . . . . 1.0 111.353 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -70.03 118.14 12.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.45 0.7 . . . . 1.0 111.533 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.3 p -150.91 146.14 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.173 1.389 . . . . 1.0 110.835 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -74.82 153.29 38.79 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.451 0.643 . . . . 1.0 112.547 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.7 p -83.47 -17.43 42.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.888 1.275 . . . . 1.0 113.156 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -141.54 -26.19 0.69 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.859 1.8 . . . . 1.0 115.859 -174.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.04 -176.31 50.73 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.989 1.281 . . . . 1.0 113.978 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -72.52 154.38 40.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.247 1.019 . . . . 1.0 111.765 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -85.48 138.32 36.14 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 1.0 109.798 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.83 139.99 65.07 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.605 2.203 . . . . 1.0 112.096 175.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.74 70.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.169 0.803 . . . . 1.0 113.169 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.81 -36.39 78.92 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.702 0.801 . . . . 1.0 112.386 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -78.99 -35.01 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.563 1.145 . . . . 1.0 111.71 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mt -60.95 -45.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.546 -0.721 . . . . 1.0 110.412 169.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -42.69 99.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.938 0.895 . . . . 1.0 112.523 172.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.92 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.466 1.107 . . . . 1.0 112.412 174.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -65.22 -44.96 86.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.314 1.046 . . . . 1.0 111.808 174.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.12 -37.89 81.39 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.041 -1.037 . . . . 1.0 112.399 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.12 52.74 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.972 0.806 . . . . 1.0 110.983 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.86 75.85 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.796 1.036 . . . . 1.0 113.796 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 45.0 p -85.26 -11.28 55.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.6 mt -123.4 -42.07 2.25 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.601 1.091 . . . . 1.0 113.78 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -91.64 5.03 51.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.132 1.373 . . . . 1.0 114.32 -173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.37 134.36 28.37 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.612 1.165 . . . . 1.0 112.68 171.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 59.2 23.94 12.31 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 116.303 1.964 . . . . 1.0 116.303 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -100.21 0.95 41.41 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 114.709 1.374 . . . . 1.0 114.709 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -73.78 -28.0 61.44 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 114.436 1.273 . . . . 1.0 114.436 -172.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -69.73 162.72 27.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.907 1.283 . . . . 1.0 113.185 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 124.328 1.051 . . . . 1.0 111.639 170.423 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 111.999 0.37 . . . . 1.0 111.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.07 -173.35 52.77 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.479 1.038 . . . . 1.0 114.405 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.8 m -136.6 156.51 48.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.559 1.544 . . . . 1.0 112.294 -176.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.33 163.43 51.23 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.045 0.831 . . . . 1.0 113.8 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -73.12 148.15 44.22 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.238 1.015 . . . . 1.0 113.565 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.97 -143.53 47.06 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.093 0.854 . . . . 1.0 112.765 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -86.05 -38.71 17.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.792 1.237 . . . . 1.0 113.604 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.15 -4.83 61.09 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 125.126 1.346 . . . . 1.0 114.89 -169.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.01 149.69 28.43 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.9 1.68 . . . . 1.0 111.747 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.01 142.45 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.522 1.129 . . . . 1.0 110.597 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -81.42 49.01 1.23 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.166 1.386 . . . . 1.0 112.553 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.275 9.2 ptm180 49.59 -3.37 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 130.447 3.499 . . . . 1.0 119.078 -176.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.62 -55.83 19.68 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.143 1.777 . . . . 1.0 112.39 -178.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.73 -34.37 71.82 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.605 -0.685 . . . . 1.0 111.658 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 m -64.4 -15.04 59.79 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.409 1.484 . . . . 1.0 114.0 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.73 -47.19 4.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.237 1.815 . . . . 1.0 112.33 169.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.98 96.17 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.938 0.895 . . . . 1.0 113.211 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.04 -36.53 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.727 -0.608 . . . . 1.0 110.438 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -66.61 -44.39 82.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.222 1.009 . . . . 1.0 111.851 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.39 -46.84 86.79 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.702 0.683 . . . . 1.0 111.367 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -53.83 -47.45 70.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.868 1.267 . . . . 1.0 112.164 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.91 97.0 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 1.0 112.481 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -66.42 -37.34 84.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.125 0.97 . . . . 1.0 112.33 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -66.07 -40.85 91.22 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.816 1.246 . . . . 1.0 112.551 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -99.39 -3.24 34.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.83 58.99 Favored Glycine 0 CA--C 1.537 1.447 0 N-CA-C 116.406 1.322 . . . . 1.0 116.406 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -76.48 143.21 40.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.517 1.658 . . . . 1.0 111.509 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -70.17 128.39 36.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 1.0 111.435 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.65 145.13 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.006 1.322 . . . . 1.0 110.752 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -71.32 147.08 48.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.139 0.576 . . . . 1.0 112.207 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -77.61 -14.92 59.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.765 1.226 . . . . 1.0 113.597 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -138.9 -32.17 0.69 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.809 1.411 . . . . 1.0 114.809 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.67 -170.29 37.49 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.063 1.316 . . . . 1.0 114.284 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -74.29 159.9 31.81 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.62 1.168 . . . . 1.0 112.029 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.4 mt -82.9 138.92 42.99 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.266 1.026 . . . . 1.0 109.824 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.25 138.15 50.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.432 2.088 . . . . 1.0 112.127 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.36 -31.61 71.5 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.27 -36.04 74.81 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.563 0.745 . . . . 1.0 112.408 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -79.64 -34.64 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 124.507 1.123 . . . . 1.0 111.509 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.6 mt -61.45 -44.64 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.418 -0.801 . . . . 1.0 110.386 169.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -61.93 -43.26 99.22 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.875 0.87 . . . . 1.0 112.101 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.81 84.98 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.429 1.092 . . . . 1.0 112.461 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.37 -49.88 75.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.234 1.013 . . . . 1.0 111.513 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -62.06 -36.11 80.66 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.911 0.708 . . . . 1.0 112.911 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.85 92.71 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.384 0.993 . . . . 1.0 110.908 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.53 87.91 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.699 0.999 . . . . 1.0 113.699 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 -31.49 43.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.714 1.005 . . . . 1.0 113.714 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.7 tp -87.84 -48.38 7.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.418 1.087 . . . . 1.0 113.699 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -86.2 126.14 34.04 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.383 0.883 . . . . 1.0 113.383 -174.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -140.03 152.54 46.31 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.057 1.743 . . . . 1.0 111.07 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . 0.252 26.2 p80 46.61 39.43 6.91 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.678 1.991 . . . . 1.0 115.8 176.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -126.82 154.15 44.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.274 1.83 . . . . 1.0 111.084 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -123.96 13.66 9.15 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.774 1.398 . . . . 1.0 114.774 -170.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -142.66 154.28 44.2 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.506 1.522 . . . . 1.0 111.516 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.4 p80 . . . . . 0 C--O 1.256 1.426 0 C-N-CA 124.221 1.008 . . . . 1.0 113.021 171.378 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 112.589 0.589 . . . . 1.0 112.589 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.01 167.32 37.47 Favored Glycine 0 CA--C 1.535 1.305 0 CA-C-N 119.405 1.002 . . . . 1.0 113.812 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 m -62.6 143.69 57.0 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.719 1.207 . . . . 1.0 112.905 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.8 24.69 60.46 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.109 0.861 . . . . 1.0 114.646 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 51.18 30.66 5.89 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.203 1.801 . . . . 1.0 113.385 -171.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.95 8.45 86.77 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.958 1.266 . . . . 1.0 115.878 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -66.64 137.57 56.81 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.566 1.683 . . . . 1.0 111.188 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.76 156.04 52.73 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.284 0.945 . . . . 1.0 113.691 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.14 36.86 0.19 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.899 1.68 . . . . 1.0 113.202 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.3 mt -139.18 143.5 31.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.184 2.193 . . . . 1.0 109.756 -169.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -105.66 -47.16 3.97 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.487 1.515 . . . . 1.0 111.555 177.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -143.98 -7.9 0.72 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.917 2.087 . . . . 1.0 114.294 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.73 63.28 0.86 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.683 1.993 . . . . 1.0 113.23 -173.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -60.86 -28.47 68.87 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.817 -1.177 . . . . 1.0 113.566 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -59.53 -50.96 71.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.244 -0.91 . . . . 1.0 111.772 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.56 84.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.443 1.097 . . . . 1.0 112.477 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.71 95.33 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.63 -0.669 . . . . 1.0 112.22 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.32 -38.68 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.625 0.77 . . . . 1.0 110.88 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -57.27 -49.24 76.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.491 1.116 . . . . 1.0 111.15 172.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.16 -45.9 79.3 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.493 0.717 . . . . 1.0 111.683 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -56.8 -43.05 80.57 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.143 0.977 . . . . 1.0 112.285 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.66 99.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.106 0.963 . . . . 1.0 111.97 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -64.24 -42.88 96.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.305 1.042 . . . . 1.0 112.016 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.28 -34.61 78.06 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.176 1.39 . . . . 1.0 112.919 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -97.96 1.98 48.52 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.169 1.174 . . . . 1.0 114.169 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.36 21.82 77.47 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.284 0.945 . . . . 1.0 114.976 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -78.8 156.9 28.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.485 1.114 . . . . 1.0 111.873 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -75.42 105.48 6.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.703 0.801 . . . . 1.0 111.501 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.18 144.12 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.845 1.658 . . . . 1.0 110.871 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -68.41 154.28 42.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.068 0.547 . . . . 1.0 111.107 171.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.2 p -76.21 -22.27 55.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.347 1.059 . . . . 1.0 113.269 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -144.87 -23.16 0.5 Allowed 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.293 1.96 . . . . 1.0 116.293 -173.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.03 -171.59 38.0 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.827 1.204 . . . . 1.0 113.535 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.22 154.39 41.4 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.064 0.946 . . . . 1.0 111.96 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.02 137.83 33.0 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.389 1.076 . . . . 1.0 109.224 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.11 137.95 50.11 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.41 2.073 . . . . 1.0 112.076 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.51 68.94 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.099 0.778 . . . . 1.0 113.099 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.43 -36.51 78.37 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.918 0.887 . . . . 1.0 112.492 173.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.07 -34.36 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.471 1.108 . . . . 1.0 111.56 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.86 -45.29 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.565 -0.709 . . . . 1.0 110.501 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.55 -43.24 99.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.018 0.927 . . . . 1.0 112.207 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.36 80.52 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.328 1.051 . . . . 1.0 112.515 173.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.89 -48.89 78.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.903 0.881 . . . . 1.0 111.142 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.25 -36.89 83.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.37 97.52 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.401 -0.812 . . . . 1.0 112.028 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.85 86.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.382 1.073 . . . . 1.0 113.432 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.3 p -80.14 -38.58 31.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -83.96 -29.68 26.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.569 1.147 . . . . 1.0 112.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 50.55 70.59 0.5 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.822 2.049 . . . . 1.0 114.163 171.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -53.16 -24.11 9.88 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 115.11 1.522 . . . . 1.0 115.11 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -77.98 -5.07 50.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.435 1.494 . . . . 1.0 114.864 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.28 66.46 2.38 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.797 1.639 . . . . 1.0 112.66 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -81.08 -27.46 35.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.376 1.07 . . . . 1.0 113.367 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -77.44 172.59 13.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.295 1.438 . . . . 1.0 111.97 170.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 66.9 t60 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 123.692 0.797 . . . . 1.0 110.886 169.601 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 112.043 0.386 . . . . 1.0 112.043 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.49 18.69 79.49 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 123.994 0.807 . . . . 1.0 115.055 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 m -64.13 -20.24 65.84 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.234 1.414 . . . . 1.0 114.797 -169.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.9 -10.23 76.93 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.845 1.212 . . . . 1.0 115.121 176.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.67 155.45 40.74 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.77 1.285 . . . . 1.0 111.922 174.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.05 128.95 37.62 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.241 0.924 . . . . 1.0 112.836 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -135.95 156.3 48.96 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.136 1.774 . . . . 1.0 111.41 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.33 10.01 65.32 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.401 1.477 . . . . 1.0 115.857 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.27 65.47 1.61 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.116 1.458 . . . . 1.0 111.105 172.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -122.26 139.8 48.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 126.576 1.95 . . . . 1.0 110.731 -169.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -134.37 -54.14 0.84 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.535 1.134 . . . . 1.0 113.429 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -75.52 -32.04 60.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.185 1.394 . . . . 1.0 112.979 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -99.7 22.28 11.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.737 1.615 . . . . 1.0 113.134 -173.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -65.97 -5.9 10.91 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.425 1.269 . . . . 1.0 114.425 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.4 m -51.07 -41.94 60.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.447 1.476 . . . . 1.0 112.642 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.95 90.65 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.037 -1.039 . . . . 1.0 112.683 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.14 90.68 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.542 0.737 . . . . 1.0 111.877 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.33 -44.09 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.231 1.412 . . . . 1.0 110.638 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -64.71 -45.59 85.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.975 0.91 . . . . 1.0 111.746 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.03 -45.29 89.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.393 0.677 . . . . 1.0 111.618 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -54.53 -45.76 73.42 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.137 0.975 . . . . 1.0 111.648 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.23 97.2 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.653 -0.654 . . . . 1.0 111.665 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.077 0.951 . . . . 1.0 112.443 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.22 -34.65 78.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.725 1.21 . . . . 1.0 113.032 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.03 -6.74 55.23 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.63 75.32 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.299 0.952 . . . . 1.0 114.097 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -81.77 149.84 28.21 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.729 1.212 . . . . 1.0 111.378 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.07 131.28 49.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.638 0.775 . . . . 1.0 111.019 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.58 156.48 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.639 1.176 . . . . 1.0 111.105 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.9 p -71.68 -20.78 61.88 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.496 1.665 . . . . 1.0 115.496 -172.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.277 46.5 p 53.24 24.25 3.63 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.92 2.088 . . . . 1.0 114.238 -169.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -133.5 177.77 7.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.065 2.146 . . . . 1.0 112.077 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.24 96.15 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.069 1.318 . . . . 1.0 114.056 -176.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -83.72 143.44 30.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.832 1.253 . . . . 1.0 110.826 171.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -127.3 141.52 41.07 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.648 1.579 . . . . 1.0 109.891 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.88 143.63 67.43 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.536 2.158 . . . . 1.0 112.607 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.294 0.85 . . . . 1.0 113.294 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.71 -43.4 68.99 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.257 1.023 . . . . 1.0 112.009 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.06 -36.36 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 124.122 0.969 . . . . 1.0 111.577 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 mt -60.3 -46.76 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.169 0.588 . . . . 1.0 110.189 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.11 -42.81 99.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.537 1.135 . . . . 1.0 112.444 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.85 89.06 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.474 1.11 . . . . 1.0 112.543 176.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.61 -47.18 82.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.961 0.905 . . . . 1.0 111.452 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -58.38 -39.6 80.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.981 0.809 . . . . 1.0 112.478 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.29 96.83 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.889 0.768 . . . . 1.0 111.473 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.09 93.65 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -80.78 -27.75 36.59 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -99.9 -39.37 8.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.472 1.109 . . . . 1.0 113.96 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.93 87.76 5.91 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 122.193 0.997 . . . . 1.0 110.771 -173.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -76.07 -3.16 34.41 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.607 1.706 . . . . 1.0 115.607 -170.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -106.59 11.61 30.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.487 1.515 . . . . 1.0 113.704 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -78.28 -8.7 58.69 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.762 1.764 . . . . 1.0 115.762 -170.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -135.14 162.89 31.23 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.969 1.707 . . . . 1.0 112.244 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -70.72 157.53 37.86 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.953 0.901 . . . . 1.0 111.255 169.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 . . . . . 0 C--O 1.256 1.424 0 C-N-CA 125.443 1.497 . . . . 1.0 112.337 -173.735 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 111.886 0.328 . . . . 1.0 111.886 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.77 177.72 48.37 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.538 1.066 . . . . 1.0 113.541 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.8 m -76.7 -15.73 59.71 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.49 1.293 . . . . 1.0 114.49 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.11 -155.12 53.19 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.165 0.888 . . . . 1.0 113.811 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 53.27 38.7 28.36 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.732 1.613 . . . . 1.0 114.236 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.91 138.58 37.49 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.391 0.996 . . . . 1.0 112.816 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -141.02 163.58 32.58 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.407 1.883 . . . . 1.0 111.547 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.5 16.01 11.64 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.728 1.632 . . . . 1.0 116.22 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 64.53 1.19 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.926 1.363 . . . . 1.0 111.172 169.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.9 mm -121.83 142.36 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 126.789 2.036 . . . . 1.0 110.132 -169.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -146.0 -44.73 0.2 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.239 0.829 . . . . 1.0 113.239 -171.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -59.53 -38.64 81.54 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.616 0.767 . . . . 1.0 112.582 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.44 -38.83 68.19 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.256 1.023 . . . . 1.0 111.662 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -68.77 -45.35 71.6 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.871 -0.518 . . . . 1.0 111.505 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 p -62.21 -43.05 99.7 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.871 -0.518 . . . . 1.0 111.685 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.488 0.715 . . . . 1.0 112.846 174.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.73 96.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.373 0.669 . . . . 1.0 112.293 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.06 -38.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.648 0.779 . . . . 1.0 110.911 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -60.1 -48.91 79.76 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.68 0.673 . . . . 1.0 111.039 172.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.65 -47.79 84.66 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.385 0.674 . . . . 1.0 111.462 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -55.7 -47.62 76.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.919 1.288 . . . . 1.0 112.108 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.58 99.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.876 0.87 . . . . 1.0 112.523 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.34 -42.89 98.96 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.786 0.834 . . . . 1.0 111.904 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -67.5 -33.88 75.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.28 1.432 . . . . 1.0 113.107 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -96.2 7.82 45.44 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.872 1.434 . . . . 1.0 114.872 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.87 16.98 71.24 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.825 1.49 . . . . 1.0 116.825 169.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -96.31 137.93 34.66 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.302 1.551 . . . . 1.0 112.011 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -72.2 135.25 46.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.885 0.874 . . . . 1.0 111.493 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -148.02 148.68 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.694 1.597 . . . . 1.0 111.869 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 m -65.34 146.78 54.47 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.701 1.2 . . . . 1.0 112.083 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.7 p -83.87 -62.04 1.67 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.043 0.937 . . . . 1.0 113.155 -169.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -73.46 -36.05 65.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.059 0.943 . . . . 1.0 113.135 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.36 -162.53 30.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.761 1.648 . . . . 1.0 112.106 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 52.9 47.68 24.13 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.486 1.515 . . . . 1.0 113.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.7 mt -64.38 143.52 98.48 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 124.277 1.031 . . . . 1.0 109.315 171.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.2 138.8 57.68 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.038 1.825 . . . . 1.0 112.193 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.97 -28.78 69.25 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.214 0.82 . . . . 1.0 113.214 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.87 -38.05 81.08 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.885 0.874 . . . . 1.0 112.384 172.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.74 -36.09 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.312 1.045 . . . . 1.0 111.394 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.22 -45.45 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.567 -0.708 . . . . 1.0 110.749 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.67 -43.29 99.14 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.222 1.009 . . . . 1.0 112.123 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.06 81.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.364 1.066 . . . . 1.0 112.516 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.5 -50.46 73.47 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.007 0.923 . . . . 1.0 111.529 172.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -63.01 -33.98 76.57 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.84 85.82 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.019 -1.051 . . . . 1.0 111.392 172.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.66 73.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.282 1.033 . . . . 1.0 113.474 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.7 p -86.24 -38.86 17.17 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.413 1.264 . . . . 1.0 114.413 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.3 tp -102.24 -30.8 10.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.658 1.725 . . . . 1.0 115.658 -169.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -72.64 136.32 45.66 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.412 1.005 . . . . 1.0 111.56 -171.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -60.16 -21.24 61.42 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.665 1.728 . . . . 1.0 115.665 -170.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -94.02 2.34 56.08 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 114.828 1.418 . . . . 1.0 114.828 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -68.5 -20.21 64.58 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.628 1.714 . . . . 1.0 115.628 -172.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.96 141.12 56.4 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.029 1.332 . . . . 1.0 113.665 -177.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -138.08 159.99 40.57 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.804 1.641 . . . . 1.0 111.819 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 124.343 1.057 . . . . 1.0 112.885 174.561 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 . . . . . 0 CA--C 1.543 0.693 0 N-CA-C 112.716 0.636 . . . . 1.0 112.716 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -50.64 -43.73 57.2 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.955 -1.091 . . . . 1.0 112.371 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.235 1.014 . . . . 1.0 112.691 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -38.52 79.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.656 0.782 . . . . 1.0 112.148 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.56 -39.64 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.722 0.809 . . . . 1.0 111.009 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -59.3 -48.03 83.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.28 1.032 . . . . 1.0 111.181 172.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.9 -46.11 89.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.424 0.69 . . . . 1.0 111.667 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -56.69 -45.7 81.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.084 0.954 . . . . 1.0 112.148 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.468 0.707 . . . . 1.0 111.594 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -61.98 -45.85 91.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.256 1.022 . . . . 1.0 112.043 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -60.3 -31.82 70.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.877 1.271 . . . . 1.0 112.849 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -93.71 2.27 56.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.703 1.201 . . . . 1.0 113.818 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.69 18.38 73.93 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.649 1.118 . . . . 1.0 115.032 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -84.66 150.34 25.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.144 1.378 . . . . 1.0 111.574 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -69.52 125.97 28.31 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.676 0.79 . . . . 1.0 111.27 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.31 147.89 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.38 1.472 . . . . 1.0 110.666 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 t -73.09 155.06 40.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.143 0.497 . . . . 1.0 112.007 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.9 p -72.65 -34.44 67.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.001 0.92 . . . . 1.0 112.838 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -138.08 164.78 28.25 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.448 1.899 . . . . 1.0 111.63 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.07 -151.98 44.74 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.024 0.821 . . . . 1.0 113.953 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.95 154.58 41.1 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.61 1.164 . . . . 1.0 113.167 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.4 mt -109.72 145.25 31.58 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 126.467 1.907 . . . . 1.0 109.233 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.58 138.93 61.64 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.107 1.872 . . . . 1.0 111.787 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -28.35 68.64 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.039 0.755 . . . . 1.0 113.039 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.17 -35.62 77.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.004 0.921 . . . . 1.0 112.696 172.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.66 -34.49 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.527 1.131 . . . . 1.0 111.218 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.54 -43.91 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.437 -0.79 . . . . 1.0 110.725 170.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.35 -43.38 98.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.382 1.073 . . . . 1.0 112.202 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.37 85.91 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.324 1.05 . . . . 1.0 112.528 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -63.03 -48.01 80.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.252 1.021 . . . . 1.0 111.46 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -60.0 -38.25 82.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.647 -0.658 . . . . 1.0 112.734 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.54 98.62 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.273 -0.892 . . . . 1.0 111.519 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.89 97.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.573 0.749 . . . . 1.0 113.019 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.1 p -78.63 -24.77 45.1 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -97.28 -45.75 6.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.547 1.139 . . . . 1.0 113.625 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 -169.757 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 112.252 0.464 . . . . 1.0 112.252 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m -64.13 -43.64 94.63 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.194 0.998 . . . . 1.0 111.042 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.319 1.047 . . . . 1.0 111.957 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.29 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.272 0.942 . . . . 1.0 112.321 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.84 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.884 0.873 . . . . 1.0 111.11 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -57.58 -50.35 73.41 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.859 0.863 . . . . 1.0 110.975 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -34.88 78.5 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.933 0.893 . . . . 1.0 112.869 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -65.87 -47.83 73.56 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.455 1.102 . . . . 1.0 111.567 169.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.46 96.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.829 0.852 . . . . 1.0 112.439 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.71 1.204 . . . . 1.0 112.72 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -75.42 -24.3 57.08 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.675 1.19 . . . . 1.0 113.749 177.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -96.65 0.9 50.5 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.919 1.287 . . . . 1.0 113.721 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.13 22.2 78.92 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.556 1.074 . . . . 1.0 114.76 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -93.67 151.01 19.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.881 1.273 . . . . 1.0 112.081 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -70.46 123.07 20.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.798 0.839 . . . . 1.0 112.192 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -156.38 144.32 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.766 1.626 . . . . 1.0 110.711 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -68.95 153.03 44.51 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.45 1.1 . . . . 1.0 112.244 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -67.85 -30.0 69.28 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 121.037 -1.039 . . . . 1.0 113.308 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.44 167.37 23.79 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.374 2.269 . . . . 1.0 111.749 177.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.8 -144.48 31.36 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.026 0.822 . . . . 1.0 113.624 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.83 154.13 42.21 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.836 1.254 . . . . 1.0 113.023 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mt -121.48 139.53 29.94 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 126.307 1.843 . . . . 1.0 109.224 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.57 136.82 47.86 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.053 2.502 . . . . 1.0 112.512 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.17 67.77 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.59 0.959 . . . . 1.0 113.59 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -61.14 -40.33 93.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.157 0.983 . . . . 1.0 112.336 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 p -80.46 -29.7 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.728 -0.608 . . . . 1.0 112.388 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.19 -45.21 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.226 0.61 . . . . 1.0 110.292 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.54 -43.86 97.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.064 -1.022 . . . . 1.0 112.298 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.38 -40.62 87.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 1.0 112.651 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -61.67 -48.23 81.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.696 0.799 . . . . 1.0 111.334 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -64.01 -33.69 76.3 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.4 87.8 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.277 -0.89 . . . . 1.0 111.3 170.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.59 87.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.052 0.941 . . . . 1.0 113.237 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.0 p -77.61 -41.44 38.55 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.218 0.821 . . . . 1.0 113.218 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.88 -51.98 5.21 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.618 0.97 . . . . 1.0 113.618 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 113.176 0.806 . . . . 1.0 113.176 -169.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 113.235 0.828 . . . . 1.0 113.235 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.1 p -57.81 -39.66 78.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.175 0.99 . . . . 1.0 112.363 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.99 95.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.395 1.078 . . . . 1.0 112.047 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.84 85.55 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.396 0.678 . . . . 1.0 112.127 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.37 -42.95 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.743 0.817 . . . . 1.0 110.767 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -62.46 -45.84 91.22 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 1.0 112.171 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.98 -45.53 92.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.58 0.627 . . . . 1.0 111.773 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -55.99 -45.83 78.86 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.802 0.841 . . . . 1.0 111.863 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.9 99.3 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.548 -0.72 . . . . 1.0 111.681 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.03 -43.98 97.69 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.244 1.018 . . . . 1.0 112.16 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.3 -31.86 72.51 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.599 1.16 . . . . 1.0 113.05 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -92.39 -1.9 56.7 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.819 1.248 . . . . 1.0 114.152 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.57 19.51 72.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.186 0.898 . . . . 1.0 114.66 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -88.71 147.59 24.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.086 1.354 . . . . 1.0 111.44 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.74 135.98 50.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.137 0.575 . . . . 1.0 111.596 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -153.83 144.45 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.172 1.389 . . . . 1.0 110.661 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 t -81.35 139.79 35.13 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.777 -0.577 . . . . 1.0 111.59 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.66 -12.53 59.81 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.109 1.364 . . . . 1.0 114.039 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -130.71 159.26 37.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.862 1.665 . . . . 1.0 112.374 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 63.32 -160.58 35.67 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.551 1.072 . . . . 1.0 114.001 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.8 151.4 44.85 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.285 1.034 . . . . 1.0 112.107 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.95 142.8 60.68 Favored Pre-proline 0 N--CA 1.477 0.898 0 C-N-CA 124.478 1.111 . . . . 1.0 110.124 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.36 142.35 65.7 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.596 2.198 . . . . 1.0 112.191 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.07 -26.56 67.73 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.315 0.857 . . . . 1.0 113.315 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.6 -44.17 72.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.564 1.146 . . . . 1.0 111.96 170.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.79 -34.65 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 123.967 0.907 . . . . 1.0 111.411 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.0 mt -62.84 -47.17 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.853 -0.529 . . . . 1.0 110.406 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.4 -44.61 92.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.072 0.949 . . . . 1.0 111.9 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.16 -46.54 85.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.601 1.16 . . . . 1.0 112.981 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.69 -47.0 85.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.346 1.058 . . . . 1.0 111.306 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -63.69 -36.48 83.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.94 95.66 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.527 1.058 . . . . 1.0 111.209 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.17 82.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.963 0.905 . . . . 1.0 113.405 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.2 p -83.14 -34.29 26.08 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.877 1.066 . . . . 1.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.6 tp -92.84 -40.91 10.37 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.014 1.116 . . . . 1.0 114.014 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -175.824 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -58.39 -47.21 84.6 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.874 0.869 . . . . 1.0 111.732 169.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.91 91.3 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.654 0.781 . . . . 1.0 112.183 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.59 98.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.199 0.599 . . . . 1.0 112.486 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -71.39 -39.24 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.49 0.716 . . . . 1.0 111.247 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -59.95 -48.02 83.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.045 0.839 . . . . 1.0 111.276 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -62.45 -45.35 93.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.909 0.884 . . . . 1.0 112.482 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -56.16 -48.17 76.83 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.196 0.907 . . . . 1.0 112.098 173.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.51 98.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.736 0.814 . . . . 1.0 111.73 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -60.12 -45.93 91.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.243 1.417 . . . . 1.0 112.281 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -70.79 -26.05 63.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.29 1.036 . . . . 1.0 113.459 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -92.08 1.38 57.24 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.466 1.106 . . . . 1.0 113.757 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.36 18.85 77.17 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.448 1.023 . . . . 1.0 114.861 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -84.65 150.87 24.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.942 1.297 . . . . 1.0 111.351 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.18 128.09 34.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.109 0.564 . . . . 1.0 111.336 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -154.43 144.67 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.311 1.444 . . . . 1.0 110.533 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.3 t -81.46 143.38 32.13 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.819 -0.55 . . . . 1.0 111.558 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -83.09 -18.44 39.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.805 1.242 . . . . 1.0 113.176 173.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -120.06 -36.38 3.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.287 1.435 . . . . 1.0 113.8 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.18 177.27 54.34 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.035 1.302 . . . . 1.0 113.642 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -71.77 154.56 41.23 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.437 1.095 . . . . 1.0 111.683 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.8 mt -79.7 138.44 54.39 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.012 0.925 . . . . 1.0 109.699 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.86 140.05 59.47 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.425 2.083 . . . . 1.0 111.95 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.1 -29.15 69.58 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.8 -37.18 78.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.047 0.939 . . . . 1.0 112.458 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 t -79.88 -35.32 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.745 1.218 . . . . 1.0 111.455 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.2 mt -61.29 -44.94 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.488 -0.758 . . . . 1.0 110.726 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.58 -43.73 98.32 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.138 0.975 . . . . 1.0 112.172 172.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.66 79.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.515 1.126 . . . . 1.0 112.545 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.25 -50.02 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.154 0.982 . . . . 1.0 111.416 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -63.97 -32.45 74.0 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.56 79.04 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.974 -1.079 . . . . 1.0 111.149 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.25 -33.0 73.77 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.927 1.084 . . . . 1.0 113.927 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.8 p -85.28 -45.66 11.74 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.892 1.071 . . . . 1.0 113.892 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.43 -38.13 19.01 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.19 0.905 . . . . 1.0 113.288 -172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 124.52 1.128 . . . . 1.0 113.118 179.692 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 111.791 0.293 . . . . 1.0 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.6 m -65.95 -42.91 89.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.142 0.977 . . . . 1.0 111.346 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.86 98.15 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.22 1.008 . . . . 1.0 111.729 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.43 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.26 -41.48 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.414 0.686 . . . . 1.0 111.093 174.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -62.69 -46.86 86.18 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.617 0.767 . . . . 1.0 111.774 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.78 -46.58 89.92 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.274 1.03 . . . . 1.0 111.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -56.97 -47.67 80.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.009 0.924 . . . . 1.0 112.32 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.03 95.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.388 0.675 . . . . 1.0 111.096 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -60.47 -46.27 90.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.564 1.145 . . . . 1.0 112.097 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -65.04 -28.35 69.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.733 1.213 . . . . 1.0 113.415 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -92.99 1.98 57.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.532 1.133 . . . . 1.0 113.767 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.42 17.72 74.68 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.414 1.007 . . . . 1.0 114.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -85.24 151.53 24.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.98 1.312 . . . . 1.0 111.82 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.4 137.27 52.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.353 0.661 . . . . 1.0 111.427 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.0 141.53 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.896 1.278 . . . . 1.0 110.959 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.6 m -65.23 135.79 55.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.663 1.185 . . . . 1.0 112.84 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -87.52 -20.09 26.99 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.804 1.242 . . . . 1.0 113.553 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -130.61 155.21 46.92 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.413 2.285 . . . . 1.0 110.6 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.79 -161.82 48.79 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.847 0.737 . . . . 1.0 114.266 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -75.7 146.09 40.43 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.083 1.353 . . . . 1.0 111.915 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.7 142.95 96.34 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 124.085 0.954 . . . . 1.0 109.787 174.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.65 138.76 55.36 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.29 1.993 . . . . 1.0 112.073 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.13 68.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.22 -37.16 79.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.901 0.88 . . . . 1.0 112.491 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.35 -35.57 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.467 1.107 . . . . 1.0 111.522 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.53 -46.0 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.55 -0.719 . . . . 1.0 110.454 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.61 -44.05 97.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.224 1.01 . . . . 1.0 112.328 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.25 84.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 1.0 112.634 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.47 -51.0 71.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.123 0.969 . . . . 1.0 111.224 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -62.03 -35.93 80.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.041 0.756 . . . . 1.0 113.041 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.53 89.89 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.155 0.888 . . . . 1.0 111.187 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.47 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.932 0.893 . . . . 1.0 113.409 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -78.32 -30.94 48.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.5 tp -82.35 -56.21 4.04 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.373 1.069 . . . . 1.0 112.122 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.619 0.723 . . . . 1.0 111.815 -171.861 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 119.564 -0.255 . . . . 1.0 111.584 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -65.54 -43.52 89.69 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.195 -0.941 . . . . 1.0 111.297 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.61 91.96 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.543 -0.723 . . . . 1.0 112.474 174.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.89 91.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.537 0.735 . . . . 1.0 112.611 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.73 -38.48 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.642 0.777 . . . . 1.0 111.063 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -58.57 -49.63 76.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.324 1.05 . . . . 1.0 110.962 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.24 -45.78 91.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.016 0.526 . . . . 1.0 111.766 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.09 -46.57 82.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.091 0.956 . . . . 1.0 112.23 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.69 99.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.393 0.677 . . . . 1.0 111.505 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -63.32 -45.88 89.26 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.585 1.154 . . . . 1.0 111.725 174.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.01 -32.87 71.27 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.96 1.304 . . . . 1.0 113.091 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -91.99 1.49 57.16 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.734 1.214 . . . . 1.0 114.022 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.37 19.37 74.3 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.489 1.043 . . . . 1.0 114.967 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -84.2 152.0 24.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.011 1.324 . . . . 1.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.32 123.09 20.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.678 0.791 . . . . 1.0 111.13 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p -152.98 149.26 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.37 1.468 . . . . 1.0 110.875 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -70.88 149.37 46.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.236 0.541 . . . . 1.0 111.921 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 p -73.25 -37.48 66.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.848 0.859 . . . . 1.0 112.163 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -133.74 -23.21 1.83 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.137 1.375 . . . . 1.0 114.518 -173.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.4 -170.71 37.5 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.934 1.254 . . . . 1.0 114.304 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.36 154.24 42.34 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.658 1.183 . . . . 1.0 112.117 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -98.42 137.95 20.76 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 1.0 109.619 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.1 140.1 58.39 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.511 2.14 . . . . 1.0 112.172 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.73 -28.83 68.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.925 0.713 . . . . 1.0 112.925 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.5 78.63 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 1.0 112.543 172.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 t -79.59 -35.34 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.635 1.174 . . . . 1.0 111.375 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.9 mt -61.59 -45.13 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.62 -0.675 . . . . 1.0 110.673 170.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.37 -43.42 98.9 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.105 -0.997 . . . . 1.0 112.236 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.45 82.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.198 0.999 . . . . 1.0 112.604 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -60.21 -51.33 70.03 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.17 0.988 . . . . 1.0 111.095 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -62.54 -35.61 79.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.892 0.701 . . . . 1.0 112.892 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.54 96.54 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.272 -0.892 . . . . 1.0 111.815 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.29 80.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.621 0.971 . . . . 1.0 113.621 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -81.65 -27.4 34.1 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.332 1.234 . . . . 1.0 114.332 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -101.73 -44.7 5.47 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.937 0.895 . . . . 1.0 113.286 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 N--CA 1.479 1.018 0 C-N-CA 126.091 1.756 . . . . 1.0 113.667 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.156 0.428 . . . . 1.0 112.156 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 m -60.37 -42.62 96.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.451 0.7 . . . . 1.0 112.108 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.05 84.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.701 0.8 . . . . 1.0 112.263 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.3 98.82 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.171 0.588 . . . . 1.0 112.467 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.96 -42.47 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 1.0 110.972 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -58.18 -47.52 83.18 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.171 0.896 . . . . 1.0 111.923 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.49 -47.74 82.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.488 0.715 . . . . 1.0 112.215 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -57.44 -46.67 83.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.119 0.872 . . . . 1.0 111.999 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.08 91.63 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.755 0.822 . . . . 1.0 111.628 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -62.37 -43.36 99.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.223 1.009 . . . . 1.0 112.452 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -69.52 -24.89 63.8 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.188 0.995 . . . . 1.0 113.653 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.92 3.38 44.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.607 1.163 . . . . 1.0 114.013 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.68 18.75 77.52 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.586 1.088 . . . . 1.0 115.302 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -85.74 153.05 22.58 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.033 1.333 . . . . 1.0 112.027 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -73.51 122.45 22.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.929 0.892 . . . . 1.0 112.407 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -153.16 144.34 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.132 1.773 . . . . 1.0 110.088 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.8 t -90.27 147.38 23.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.448 0.699 . . . . 1.0 111.842 173.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 p -74.86 -14.01 60.62 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.66 1.184 . . . . 1.0 113.244 173.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -112.43 159.6 18.57 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.415 1.886 . . . . 1.0 111.736 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.66 -159.52 34.72 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.666 1.127 . . . . 1.0 114.646 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.57 154.2 30.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.757 1.223 . . . . 1.0 112.084 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.56 142.36 53.53 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.655 1.182 . . . . 1.0 109.776 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.21 135.61 44.07 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.339 2.693 . . . . 1.0 112.578 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.41 67.83 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.73 1.011 . . . . 1.0 113.73 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.76 -41.43 95.45 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.835 0.854 . . . . 1.0 112.518 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.9 -30.22 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 1.0 112.209 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.97 -44.79 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.241 0.617 . . . . 1.0 110.842 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.01 -44.45 96.7 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.178 0.991 . . . . 1.0 112.121 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.38 93.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.72 0.808 . . . . 1.0 112.592 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 1.0 111.835 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -61.01 -43.51 98.78 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.411 -0.806 . . . . 1.0 112.151 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.51 -47.11 87.12 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.681 1.128 . . . . 1.0 111.642 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.72 88.25 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.025 0.93 . . . . 1.0 113.351 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.6 p -88.2 -31.58 19.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.362 1.245 . . . . 1.0 114.362 -176.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.93 -39.08 10.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.279 0.945 . . . . 1.0 112.997 -175.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.828 0.823 . . . . 1.0 111.311 -179.661 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 112.39 0.515 . . . . 1.0 112.39 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 t -66.29 -48.48 70.25 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.985 0.914 . . . . 1.0 110.688 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.3 83.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.183 0.993 . . . . 1.0 112.684 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.54 96.75 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.569 -0.707 . . . . 1.0 112.39 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.82 -39.65 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 118.732 0.697 . . . . 1.0 111.094 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.46 -51.09 71.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.941 0.897 . . . . 1.0 111.453 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.24 -38.43 85.17 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.289 0.495 . . . . 1.0 111.982 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -57.54 -47.21 82.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.998 0.919 . . . . 1.0 111.25 169.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.32 97.12 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.55 -0.719 . . . . 1.0 112.001 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -57.48 -44.89 85.26 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.082 1.353 . . . . 1.0 111.991 173.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -69.69 -28.98 66.3 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.86 1.264 . . . . 1.0 113.615 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -90.56 -5.47 55.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.635 1.174 . . . . 1.0 113.706 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.74 18.94 79.05 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.625 1.107 . . . . 1.0 114.677 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -87.13 143.34 27.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.763 1.225 . . . . 1.0 110.833 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -66.26 131.07 45.29 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.453 0.701 . . . . 1.0 111.701 -176.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -150.49 141.49 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.872 1.269 . . . . 1.0 110.767 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.9 t -92.27 147.49 22.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.946 0.898 . . . . 1.0 112.788 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 p -99.08 -5.92 29.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.785 1.634 . . . . 1.0 113.115 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -95.49 -1.6 50.39 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.233 1.413 . . . . 1.0 114.398 -170.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.56 -163.72 27.6 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.521 1.534 . . . . 1.0 112.952 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -66.96 151.8 46.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.035 0.934 . . . . 1.0 111.839 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -72.19 131.11 85.47 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.867 0.867 . . . . 1.0 110.382 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.77 148.83 53.23 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.824 2.349 . . . . 1.0 112.259 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.92 67.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.678 1.362 . . . . 1.0 114.678 -169.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.3 -32.37 71.15 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.303 0.956 . . . . 1.0 112.582 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 t -78.73 -35.36 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 123.797 0.839 . . . . 1.0 111.515 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -42.82 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.623 0.769 . . . . 1.0 110.012 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.33 -45.07 94.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.169 0.988 . . . . 1.0 112.469 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.78 82.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.5 1.12 . . . . 1.0 112.241 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.84 -46.94 88.61 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.393 1.077 . . . . 1.0 111.237 173.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -69.46 -22.66 63.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.777 1.399 . . . . 1.0 114.777 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.19 -43.09 87.36 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.299 1.409 . . . . 1.0 110.219 169.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.66 91.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.751 0.82 . . . . 1.0 113.008 174.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 42.4 p -68.83 -36.91 78.77 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.152 0.887 . . . . 1.0 112.456 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -73.36 -44.15 59.3 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 125.088 1.355 . . . . 1.0 111.604 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 -178.037 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.366 0.506 . . . . 1.0 112.366 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m -64.52 -39.99 94.79 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.286 -0.884 . . . . 1.0 111.335 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.63 99.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.718 0.807 . . . . 1.0 112.156 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.16 95.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.711 0.804 . . . . 1.0 112.482 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.06 -44.93 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.33 0.652 . . . . 1.0 110.745 174.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -60.94 -47.43 86.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.681 0.793 . . . . 1.0 111.917 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.75 -46.01 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.4 0.68 . . . . 1.0 111.93 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -57.84 -45.89 85.54 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.97 0.908 . . . . 1.0 112.067 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.26 99.16 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.039 0.535 . . . . 1.0 111.434 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -62.8 -44.44 96.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.437 1.095 . . . . 1.0 112.481 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -60.75 -31.47 70.8 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.952 1.301 . . . . 1.0 112.866 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -93.06 1.57 57.18 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.816 1.247 . . . . 1.0 113.868 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 17.57 73.75 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.744 1.164 . . . . 1.0 114.914 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -85.53 147.88 26.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.003 1.321 . . . . 1.0 111.621 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.13 136.14 49.87 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.49 0.716 . . . . 1.0 110.749 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.34 145.53 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.706 1.202 . . . . 1.0 111.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.2 m -70.8 112.48 7.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.374 1.07 . . . . 1.0 111.117 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.1 p -80.7 -44.97 17.88 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.761 1.224 . . . . 1.0 112.815 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -104.81 -27.8 11.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.369 1.468 . . . . 1.0 113.536 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.03 173.83 41.66 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.16 1.362 . . . . 1.0 113.632 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 139.75 58.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.659 1.184 . . . . 1.0 111.479 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.36 137.59 83.92 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.879 0.872 . . . . 1.0 110.155 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.14 140.82 50.55 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.633 2.222 . . . . 1.0 112.16 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -28.76 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.207 0.818 . . . . 1.0 113.207 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.7 -37.97 80.31 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.9 0.88 . . . . 1.0 112.356 172.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 t -79.6 -34.58 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.971 0.908 . . . . 1.0 111.542 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.98 -45.69 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.777 -0.577 . . . . 1.0 110.531 170.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.347 1.059 . . . . 1.0 112.409 173.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.76 85.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.671 1.189 . . . . 1.0 112.495 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -64.48 -45.46 87.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.896 0.878 . . . . 1.0 111.603 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -60.71 -35.78 77.16 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.81 0.732 . . . . 1.0 112.857 175.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.21 99.63 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.09 -1.006 . . . . 1.0 111.266 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.46 88.12 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.691 -1.255 . . . . 1.0 113.306 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.4 p -79.93 -25.91 40.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.377 1.251 . . . . 1.0 114.377 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -104.94 -42.74 5.25 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.325 1.05 . . . . 1.0 113.596 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.478 0.951 0 C-N-CA 124.592 1.157 . . . . 1.0 113.456 -176.388 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.689 0.625 . . . . 1.0 112.689 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 p -79.44 -41.8 26.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.564 0.62 . . . . 1.0 110.033 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.5 72.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.396 1.079 . . . . 1.0 112.745 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.41 76.02 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.353 1.061 . . . . 1.0 112.542 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.8 mt -77.31 -38.41 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.428 1.091 . . . . 1.0 110.955 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -59.59 -47.33 86.0 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.09 0.859 . . . . 1.0 110.848 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.32 -43.67 90.29 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.567 0.747 . . . . 1.0 112.125 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -57.12 -46.43 82.65 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 1.0 112.16 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.22 -39.43 93.95 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.481 -0.762 . . . . 1.0 111.797 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -67.37 -43.63 80.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.895 1.278 . . . . 1.0 110.696 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.61 -34.44 72.77 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.753 1.621 . . . . 1.0 112.649 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -90.86 3.1 55.42 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.714 1.206 . . . . 1.0 114.158 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 16.84 76.81 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.62 1.105 . . . . 1.0 115.28 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.37 148.5 25.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.194 1.398 . . . . 1.0 111.689 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.37 129.25 38.35 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.783 0.833 . . . . 1.0 111.112 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.02 149.42 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.976 1.31 . . . . 1.0 111.265 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.0 t -75.31 148.23 39.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.862 -0.524 . . . . 1.0 111.692 172.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -76.42 -23.76 53.97 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.384 1.074 . . . . 1.0 113.245 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.2 ptp85 -141.24 -23.79 0.74 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 116.418 2.007 . . . . 1.0 116.418 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.9 -175.96 45.06 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.555 1.074 . . . . 1.0 113.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -67.09 137.06 56.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.024 0.93 . . . . 1.0 111.301 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.02 139.91 46.22 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 124.101 0.961 . . . . 1.0 109.486 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.55 138.65 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.434 2.089 . . . . 1.0 112.109 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.84 -29.06 69.92 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.913 0.708 . . . . 1.0 112.913 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.15 -37.15 79.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.968 0.907 . . . . 1.0 112.279 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.63 -35.27 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.716 1.206 . . . . 1.0 111.488 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.3 mt -61.02 -45.44 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.596 -0.69 . . . . 1.0 110.627 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.83 -43.62 98.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.117 0.967 . . . . 1.0 111.885 172.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.421 1.088 . . . . 1.0 112.693 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -59.89 -50.23 74.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.542 1.137 . . . . 1.0 111.275 173.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -62.92 -37.16 85.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.943 0.72 . . . . 1.0 112.943 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.33 86.22 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.332 0.969 . . . . 1.0 112.273 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.47 78.8 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.233 1.013 . . . . 1.0 113.241 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.5 p -85.38 -35.63 21.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.7 tp -86.37 -33.75 20.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.478 1.036 . . . . 1.0 113.486 -172.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.647 0.779 . . . . 1.0 111.745 -175.36 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.477 0.547 . . . . 1.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -66.75 -43.0 85.25 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.577 -0.702 . . . . 1.0 111.686 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.93 91.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.018 0.826 . . . . 1.0 112.563 171.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.48 99.52 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.743 0.701 . . . . 1.0 112.583 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.35 -41.34 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.236 1.014 . . . . 1.0 111.368 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -65.61 -45.81 81.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.662 0.785 . . . . 1.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -61.87 -42.92 99.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.053 0.842 . . . . 1.0 112.571 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -55.98 -49.91 72.29 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.468 -0.77 . . . . 1.0 111.522 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.81 94.87 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.463 -0.773 . . . . 1.0 112.046 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.34 -44.32 72.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.249 1.819 . . . . 1.0 112.199 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -77.87 -24.44 48.51 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.496 1.119 . . . . 1.0 113.845 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -91.6 -6.84 51.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.514 1.126 . . . . 1.0 113.869 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.0 20.37 78.87 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.238 0.923 . . . . 1.0 114.204 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.71 147.24 27.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.611 1.164 . . . . 1.0 111.129 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -65.9 125.8 26.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.54 0.736 . . . . 1.0 111.735 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.29 148.06 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.753 1.621 . . . . 1.0 110.053 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 t -68.17 141.27 56.06 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.662 -0.649 . . . . 1.0 111.0 172.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -78.14 -20.13 52.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.409 1.083 . . . . 1.0 113.845 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.17 -31.81 0.97 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.321 1.23 . . . . 1.0 114.321 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.92 -173.23 43.27 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.911 1.243 . . . . 1.0 114.229 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -71.34 157.15 38.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.673 1.189 . . . . 1.0 111.77 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 mt -91.27 127.06 52.65 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 124.344 1.057 . . . . 1.0 110.134 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -74.82 151.54 40.61 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.749 2.3 . . . . 1.0 112.093 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -24.61 64.57 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.124 1.157 . . . . 1.0 114.124 -173.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.42 -42.96 67.57 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.564 1.146 . . . . 1.0 111.984 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.04 -35.09 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.584 0.754 . . . . 1.0 111.668 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.41 -46.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.646 0.778 . . . . 1.0 109.709 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.95 -45.13 95.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.286 1.034 . . . . 1.0 112.236 172.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.96 82.52 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.646 1.178 . . . . 1.0 112.879 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.59 -48.77 80.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.789 0.836 . . . . 1.0 111.602 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -62.73 -35.32 79.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.172 0.805 . . . . 1.0 113.172 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.57 95.21 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.16 -0.962 . . . . 1.0 111.595 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.84 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.208 -0.933 . . . . 1.0 113.154 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.0 p -79.24 -34.37 42.81 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.774 1.027 . . . . 1.0 113.774 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.8 tp -84.47 -50.63 7.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.214 1.006 . . . . 1.0 112.75 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 113.646 0.98 . . . . 1.0 113.646 -172.761 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 111.912 0.338 . . . . 1.0 111.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 m -60.17 -43.25 95.97 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.561 0.745 . . . . 1.0 111.168 170.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.55 97.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.542 0.737 . . . . 1.0 112.253 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.24 91.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.302 0.641 . . . . 1.0 112.314 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.98 -33.97 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.847 0.859 . . . . 1.0 111.412 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -64.99 -45.9 83.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.116 0.967 . . . . 1.0 111.378 171.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -62.16 -42.5 99.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.82 0.848 . . . . 1.0 112.258 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -56.58 -50.68 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.552 -0.718 . . . . 1.0 111.606 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.59 90.07 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.261 -0.899 . . . . 1.0 112.151 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -53.43 -45.05 69.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.935 1.694 . . . . 1.0 111.885 171.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -81.96 -15.53 53.47 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.826 1.251 . . . . 1.0 114.062 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -107.03 11.96 29.13 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.384 1.473 . . . . 1.0 113.32 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.28 20.03 60.32 Favored Glycine 0 CA--C 1.539 1.534 0 O-C-N 120.954 -1.092 . . . . 1.0 115.219 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -90.52 148.43 22.73 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.926 1.29 . . . . 1.0 111.659 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -68.82 143.28 54.63 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.646 0.778 . . . . 1.0 111.69 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -156.55 149.87 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.216 1.406 . . . . 1.0 110.623 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 p -70.24 147.04 50.23 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.078 0.951 . . . . 1.0 112.808 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.7 p -86.83 -28.46 22.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.287 1.035 . . . . 1.0 113.564 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -137.64 157.19 47.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.962 2.105 . . . . 1.0 110.932 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.45 -160.48 53.61 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.095 0.855 . . . . 1.0 113.581 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -80.35 158.25 26.11 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.318 1.047 . . . . 1.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.1 mt -83.6 139.18 40.92 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.528 1.531 . . . . 1.0 110.829 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.94 146.93 54.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.566 2.178 . . . . 1.0 112.064 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.32 63.75 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.761 1.393 . . . . 1.0 114.761 -169.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.94 -37.99 77.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.971 0.908 . . . . 1.0 112.59 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.81 -33.93 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.518 0.727 . . . . 1.0 111.635 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.71 -43.89 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.632 0.773 . . . . 1.0 110.197 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.37 -43.99 97.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.307 1.043 . . . . 1.0 112.136 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.01 87.31 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.235 1.014 . . . . 1.0 112.781 174.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -59.88 -48.25 82.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 1.0 111.852 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -64.38 -36.95 85.8 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.928 0.714 . . . . 1.0 112.928 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.2 95.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.221 1.373 . . . . 1.0 111.581 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.32 -30.32 71.07 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.237 1.199 . . . . 1.0 114.237 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.8 p -96.43 -32.48 12.31 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.294 1.22 . . . . 1.0 114.294 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.19 -37.89 44.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.794 1.238 . . . . 1.0 112.24 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 123.572 0.749 . . . . 1.0 110.878 176.835 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 111.946 0.351 . . . . 1.0 111.946 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 71.0 m -64.0 -44.09 93.7 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.037 0.935 . . . . 1.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.03 91.66 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.512 1.125 . . . . 1.0 112.321 173.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.47 95.38 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.682 0.673 . . . . 1.0 112.594 174.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.5 mt -66.96 -41.13 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.774 0.83 . . . . 1.0 110.808 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -61.52 -47.54 85.14 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.341 1.057 . . . . 1.0 111.447 174.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.29 -45.7 90.18 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.491 0.716 . . . . 1.0 111.755 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -55.57 -45.42 77.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.824 0.849 . . . . 1.0 111.652 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.76 96.1 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.672 -0.642 . . . . 1.0 111.596 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -61.7 -43.34 99.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.018 0.927 . . . . 1.0 112.238 173.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.38 -31.16 72.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.562 1.145 . . . . 1.0 113.217 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -94.28 -2.72 51.84 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.006 1.322 . . . . 1.0 114.115 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.94 20.39 74.51 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.549 1.071 . . . . 1.0 114.775 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -86.87 147.28 25.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 1.0 111.249 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -66.51 129.62 40.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.532 0.733 . . . . 1.0 111.404 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -155.18 151.47 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.267 1.427 . . . . 1.0 110.806 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -69.54 150.41 47.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.781 -0.574 . . . . 1.0 111.955 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -74.47 -42.02 59.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.763 0.825 . . . . 1.0 112.033 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -138.52 -11.37 1.38 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 115.894 1.813 . . . . 1.0 115.894 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.93 -179.66 53.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.627 1.108 . . . . 1.0 113.425 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -62.65 135.78 57.55 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.107 0.963 . . . . 1.0 110.983 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 mt -78.32 133.58 63.91 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 123.49 0.716 . . . . 1.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.38 145.29 76.94 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.785 2.324 . . . . 1.0 112.562 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.64 66.19 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.82 -44.1 69.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 1.0 111.797 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.98 -35.22 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.087 0.955 . . . . 1.0 111.694 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.83 -45.53 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.137 0.575 . . . . 1.0 110.146 172.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.99 -44.25 97.12 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.928 0.891 . . . . 1.0 112.327 172.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.79 82.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.417 1.087 . . . . 1.0 112.537 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.1 -44.01 98.01 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.883 1.273 . . . . 1.0 112.152 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -67.45 -39.46 85.37 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.219 0.822 . . . . 1.0 113.219 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.91 -38.22 69.94 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.352 0.978 . . . . 1.0 112.574 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.88 -30.42 61.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.192 1.397 . . . . 1.0 114.105 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.2 p -108.23 -21.44 12.77 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.992 1.317 . . . . 1.0 114.166 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.0 tp -87.1 -34.82 18.99 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.107 1.363 . . . . 1.0 113.791 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 120.411 0.148 . . . . 1.0 111.341 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -61.87 -42.89 99.6 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.945 0.898 . . . . 1.0 111.701 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.03 95.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.428 1.091 . . . . 1.0 112.471 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.45 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.781 0.718 . . . . 1.0 112.337 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.47 -43.72 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.704 0.801 . . . . 1.0 110.944 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -62.9 -47.43 83.32 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.735 0.814 . . . . 1.0 112.316 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.58 -41.36 96.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.705 0.684 . . . . 1.0 112.531 177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -55.84 -47.59 76.98 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.56 -0.713 . . . . 1.0 111.595 170.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.72 91.47 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.386 -0.821 . . . . 1.0 112.064 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -61.37 -41.4 97.02 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.185 1.394 . . . . 1.0 112.148 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -69.83 -28.77 65.97 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.517 1.127 . . . . 1.0 113.699 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -94.26 -3.75 50.09 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.661 1.184 . . . . 1.0 114.091 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.7 20.2 75.57 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.378 0.989 . . . . 1.0 114.518 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -89.0 146.12 25.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.793 1.237 . . . . 1.0 111.438 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.31 132.45 48.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.584 0.754 . . . . 1.0 111.531 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.49 149.11 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.814 1.245 . . . . 1.0 111.191 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -71.25 155.94 40.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.067 0.947 . . . . 1.0 111.913 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 p -92.77 -53.94 3.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.822 . . . . 1.0 113.046 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -116.55 -22.63 8.6 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.84 -164.53 29.51 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.519 1.057 . . . . 1.0 114.085 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -69.35 143.27 53.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.223 1.009 . . . . 1.0 110.615 170.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.5 mt -72.63 137.33 80.38 Favored Pre-proline 0 N--CA 1.481 1.087 0 CA-C-O 118.697 -0.668 . . . . 1.0 110.079 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -67.3 139.76 50.99 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.773 2.316 . . . . 1.0 112.165 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.17 -28.56 69.75 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.866 1.061 . . . . 1.0 113.866 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -62.89 -31.28 72.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.827 0.74 . . . . 1.0 112.461 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.11 -36.33 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 123.665 0.786 . . . . 1.0 111.312 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mt -61.72 -47.26 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.333 0.653 . . . . 1.0 110.215 171.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.59 -44.57 96.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.143 0.977 . . . . 1.0 112.379 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.07 87.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.823 1.249 . . . . 1.0 112.952 175.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.33 -47.59 81.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.815 0.846 . . . . 1.0 111.498 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -61.39 -38.22 86.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.92 0.711 . . . . 1.0 112.92 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.57 95.78 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.284 0.947 . . . . 1.0 111.857 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.43 -40.26 85.47 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.991 0.917 . . . . 1.0 113.315 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 -36.42 37.61 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.62 0.971 . . . . 1.0 113.62 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.7 tp -81.85 -34.89 29.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.483 1.113 . . . . 1.0 112.624 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 126.919 2.088 . . . . 1.0 113.39 176.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.677 0.251 . . . . 1.0 111.677 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.8 m -63.81 -45.87 87.71 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.515 -0.74 . . . . 1.0 111.287 174.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.16 83.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.316 -0.865 . . . . 1.0 112.185 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.1 89.83 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.713 -0.617 . . . . 1.0 112.616 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -67.1 -42.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.894 0.77 . . . . 1.0 111.256 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -64.3 -42.91 96.13 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.672 -0.642 . . . . 1.0 111.728 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.07 -48.21 82.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.822 0.849 . . . . 1.0 111.593 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -55.78 -45.64 78.13 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.304 1.042 . . . . 1.0 112.004 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.04 97.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.213 0.605 . . . . 1.0 111.89 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.07 -42.01 97.13 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.856 0.863 . . . . 1.0 112.58 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -66.82 -28.17 68.15 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.258 1.423 . . . . 1.0 113.583 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -98.06 3.77 49.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.584 1.154 . . . . 1.0 113.878 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.98 20.85 75.04 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.601 1.096 . . . . 1.0 114.998 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.55 155.38 25.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.742 1.217 . . . . 1.0 111.89 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -67.92 121.83 16.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.559 0.744 . . . . 1.0 110.981 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 p -151.57 141.29 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.208 1.403 . . . . 1.0 110.984 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.1 m -67.46 125.26 25.57 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.317 1.047 . . . . 1.0 110.685 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -76.75 -21.95 54.49 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -125.6 160.08 30.53 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.74 2.016 . . . . 1.0 110.885 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.04 -154.43 52.83 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.1 0.857 . . . . 1.0 114.391 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 159.89 31.93 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.121 1.368 . . . . 1.0 112.174 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -96.54 142.58 24.75 Favored Pre-proline 0 N--CA 1.479 0.996 0 C-N-CA 125.329 1.452 . . . . 1.0 110.474 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.07 133.26 34.89 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.531 2.821 . . . . 1.0 112.462 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.16 66.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.957 -1.089 . . . . 1.0 113.543 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.29 -39.56 90.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.035 0.934 . . . . 1.0 112.725 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.83 -29.36 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 121.879 -0.513 . . . . 1.0 112.196 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.4 mt -65.04 -44.21 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.505 0.722 . . . . 1.0 110.358 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.89 -43.37 98.98 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.104 -0.998 . . . . 1.0 111.938 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.97 86.56 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.727 0.811 . . . . 1.0 112.739 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.05 -48.55 81.21 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.411 0.684 . . . . 1.0 111.367 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -62.93 -37.41 86.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.499 -0.751 . . . . 1.0 112.59 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.46 87.52 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.242 -0.911 . . . . 1.0 112.2 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.76 -41.34 75.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.361 1.064 . . . . 1.0 113.692 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.3 p -81.24 -36.65 29.72 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.113 1.153 . . . . 1.0 114.113 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 mt -88.37 -21.54 24.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.576 1.15 . . . . 1.0 112.902 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.3 12.7 pt-20 . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 127.554 2.342 . . . . 1.0 114.897 174.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 112.292 0.478 . . . . 1.0 112.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.7 p -66.13 -42.7 88.76 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.448 -0.783 . . . . 1.0 111.728 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.15 93.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.051 0.842 . . . . 1.0 112.648 172.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.88 91.24 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.798 0.726 . . . . 1.0 112.593 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.9 -45.5 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.838 0.855 . . . . 1.0 110.598 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -59.65 -50.92 71.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.135 0.974 . . . . 1.0 111.137 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -65.57 -41.2 93.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.562 0.619 . . . . 1.0 112.524 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -56.28 -49.75 73.33 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.733 0.697 . . . . 1.0 111.576 170.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.35 96.86 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.667 . . . . 1.0 112.078 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -62.9 -43.16 99.53 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.877 1.671 . . . . 1.0 112.25 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -75.87 -21.6 57.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 1.0 113.669 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -92.04 4.43 53.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.645 1.178 . . . . 1.0 113.638 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.72 77.26 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.586 1.089 . . . . 1.0 115.225 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.21 151.48 28.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.579 1.152 . . . . 1.0 111.353 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -70.03 118.14 12.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.45 0.7 . . . . 1.0 111.533 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.3 p -150.91 146.14 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.173 1.389 . . . . 1.0 110.835 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -74.82 153.29 38.79 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.451 0.643 . . . . 1.0 112.547 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.7 p -83.47 -17.43 42.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.888 1.275 . . . . 1.0 113.156 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -141.54 -26.19 0.69 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.859 1.8 . . . . 1.0 115.859 -174.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.04 -176.31 50.73 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.989 1.281 . . . . 1.0 113.978 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -72.52 154.38 40.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.247 1.019 . . . . 1.0 111.765 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -85.48 138.32 36.14 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 1.0 109.798 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.83 139.99 65.07 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.605 2.203 . . . . 1.0 112.096 175.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.74 70.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.169 0.803 . . . . 1.0 113.169 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.81 -36.39 78.92 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.702 0.801 . . . . 1.0 112.386 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -78.99 -35.01 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.563 1.145 . . . . 1.0 111.71 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mt -60.95 -45.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.546 -0.721 . . . . 1.0 110.412 169.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -42.69 99.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.938 0.895 . . . . 1.0 112.523 172.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.92 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.466 1.107 . . . . 1.0 112.412 174.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -65.22 -44.96 86.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.314 1.046 . . . . 1.0 111.808 174.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.12 -37.89 81.39 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.041 -1.037 . . . . 1.0 112.399 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.12 52.74 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.972 0.806 . . . . 1.0 110.983 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.86 75.85 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.796 1.036 . . . . 1.0 113.796 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 45.0 p -85.26 -11.28 55.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.6 mt -123.4 -42.07 2.25 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.601 1.091 . . . . 1.0 113.78 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 125.132 1.373 . . . . 1.0 114.32 -173.723 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 111.658 0.244 . . . . 1.0 111.658 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 m -64.4 -15.04 59.79 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.409 1.484 . . . . 1.0 114.0 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.73 -47.19 4.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.237 1.815 . . . . 1.0 112.33 169.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.98 96.17 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.938 0.895 . . . . 1.0 113.211 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.04 -36.53 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.727 -0.608 . . . . 1.0 110.438 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -66.61 -44.39 82.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.222 1.009 . . . . 1.0 111.851 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.39 -46.84 86.79 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.702 0.683 . . . . 1.0 111.367 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -53.83 -47.45 70.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.868 1.267 . . . . 1.0 112.164 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.91 97.0 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 1.0 112.481 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -66.42 -37.34 84.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.125 0.97 . . . . 1.0 112.33 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -66.07 -40.85 91.22 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.816 1.246 . . . . 1.0 112.551 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -99.39 -3.24 34.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.83 58.99 Favored Glycine 0 CA--C 1.537 1.447 0 N-CA-C 116.406 1.322 . . . . 1.0 116.406 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -76.48 143.21 40.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.517 1.658 . . . . 1.0 111.509 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -70.17 128.39 36.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 1.0 111.435 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.65 145.13 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.006 1.322 . . . . 1.0 110.752 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -71.32 147.08 48.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.139 0.576 . . . . 1.0 112.207 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -77.61 -14.92 59.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.765 1.226 . . . . 1.0 113.597 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -138.9 -32.17 0.69 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.809 1.411 . . . . 1.0 114.809 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.67 -170.29 37.49 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.063 1.316 . . . . 1.0 114.284 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -74.29 159.9 31.81 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.62 1.168 . . . . 1.0 112.029 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.4 mt -82.9 138.92 42.99 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.266 1.026 . . . . 1.0 109.824 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.25 138.15 50.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.432 2.088 . . . . 1.0 112.127 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.36 -31.61 71.5 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.27 -36.04 74.81 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.563 0.745 . . . . 1.0 112.408 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -79.64 -34.64 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 124.507 1.123 . . . . 1.0 111.509 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.6 mt -61.45 -44.64 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.418 -0.801 . . . . 1.0 110.386 169.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -61.93 -43.26 99.22 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.875 0.87 . . . . 1.0 112.101 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.81 84.98 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.429 1.092 . . . . 1.0 112.461 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.37 -49.88 75.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.234 1.013 . . . . 1.0 111.513 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -62.06 -36.11 80.66 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.911 0.708 . . . . 1.0 112.911 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.85 92.71 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.384 0.993 . . . . 1.0 110.908 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.53 87.91 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.699 0.999 . . . . 1.0 113.699 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 -31.49 43.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.714 1.005 . . . . 1.0 113.714 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.7 tp -87.84 -48.38 7.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.418 1.087 . . . . 1.0 113.699 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 113.383 0.883 . . . . 1.0 113.383 -174.356 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 113.566 0.95 . . . . 1.0 113.566 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -59.53 -50.96 71.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.244 -0.91 . . . . 1.0 111.772 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.56 84.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.443 1.097 . . . . 1.0 112.477 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.71 95.33 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.63 -0.669 . . . . 1.0 112.22 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.32 -38.68 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.625 0.77 . . . . 1.0 110.88 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -57.27 -49.24 76.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.491 1.116 . . . . 1.0 111.15 172.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.16 -45.9 79.3 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.493 0.717 . . . . 1.0 111.683 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -56.8 -43.05 80.57 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.143 0.977 . . . . 1.0 112.285 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.66 99.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.106 0.963 . . . . 1.0 111.97 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -64.24 -42.88 96.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.305 1.042 . . . . 1.0 112.016 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.28 -34.61 78.06 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.176 1.39 . . . . 1.0 112.919 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -97.96 1.98 48.52 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.169 1.174 . . . . 1.0 114.169 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.36 21.82 77.47 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.284 0.945 . . . . 1.0 114.976 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -78.8 156.9 28.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.485 1.114 . . . . 1.0 111.873 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -75.42 105.48 6.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.703 0.801 . . . . 1.0 111.501 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.18 144.12 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.845 1.658 . . . . 1.0 110.871 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -68.41 154.28 42.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.068 0.547 . . . . 1.0 111.107 171.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.2 p -76.21 -22.27 55.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.347 1.059 . . . . 1.0 113.269 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -144.87 -23.16 0.5 Allowed 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.293 1.96 . . . . 1.0 116.293 -173.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.03 -171.59 38.0 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.827 1.204 . . . . 1.0 113.535 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.22 154.39 41.4 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.064 0.946 . . . . 1.0 111.96 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.02 137.83 33.0 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.389 1.076 . . . . 1.0 109.224 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.11 137.95 50.11 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.41 2.073 . . . . 1.0 112.076 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.51 68.94 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.099 0.778 . . . . 1.0 113.099 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.43 -36.51 78.37 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.918 0.887 . . . . 1.0 112.492 173.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.07 -34.36 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.471 1.108 . . . . 1.0 111.56 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.86 -45.29 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.565 -0.709 . . . . 1.0 110.501 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.55 -43.24 99.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.018 0.927 . . . . 1.0 112.207 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.36 80.52 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.328 1.051 . . . . 1.0 112.515 173.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.89 -48.89 78.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.903 0.881 . . . . 1.0 111.142 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.25 -36.89 83.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.37 97.52 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.401 -0.812 . . . . 1.0 112.028 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.85 86.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.382 1.073 . . . . 1.0 113.432 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.3 p -80.14 -38.58 31.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -83.96 -29.68 26.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.569 1.147 . . . . 1.0 112.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.822 2.049 . . . . 1.0 114.163 171.208 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.425 1.269 . . . . 1.0 114.425 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.4 m -51.07 -41.94 60.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.447 1.476 . . . . 1.0 112.642 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.95 90.65 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.037 -1.039 . . . . 1.0 112.683 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.14 90.68 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.542 0.737 . . . . 1.0 111.877 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.33 -44.09 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.231 1.412 . . . . 1.0 110.638 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -64.71 -45.59 85.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.975 0.91 . . . . 1.0 111.746 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.03 -45.29 89.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.393 0.677 . . . . 1.0 111.618 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -54.53 -45.76 73.42 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.137 0.975 . . . . 1.0 111.648 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.23 97.2 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.653 -0.654 . . . . 1.0 111.665 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.077 0.951 . . . . 1.0 112.443 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.22 -34.65 78.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.725 1.21 . . . . 1.0 113.032 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.03 -6.74 55.23 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.63 75.32 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.299 0.952 . . . . 1.0 114.097 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -81.77 149.84 28.21 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.729 1.212 . . . . 1.0 111.378 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.07 131.28 49.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.638 0.775 . . . . 1.0 111.019 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.58 156.48 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.639 1.176 . . . . 1.0 111.105 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.9 p -71.68 -20.78 61.88 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.496 1.665 . . . . 1.0 115.496 -172.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.277 46.5 p 53.24 24.25 3.63 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.92 2.088 . . . . 1.0 114.238 -169.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -133.5 177.77 7.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.065 2.146 . . . . 1.0 112.077 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.24 96.15 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.069 1.318 . . . . 1.0 114.056 -176.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -83.72 143.44 30.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.832 1.253 . . . . 1.0 110.826 171.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -127.3 141.52 41.07 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.648 1.579 . . . . 1.0 109.891 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.88 143.63 67.43 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.536 2.158 . . . . 1.0 112.607 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.294 0.85 . . . . 1.0 113.294 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.71 -43.4 68.99 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.257 1.023 . . . . 1.0 112.009 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.06 -36.36 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 124.122 0.969 . . . . 1.0 111.577 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 mt -60.3 -46.76 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.169 0.588 . . . . 1.0 110.189 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.11 -42.81 99.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.537 1.135 . . . . 1.0 112.444 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.85 89.06 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.474 1.11 . . . . 1.0 112.543 176.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.61 -47.18 82.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.961 0.905 . . . . 1.0 111.452 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -58.38 -39.6 80.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.981 0.809 . . . . 1.0 112.478 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.29 96.83 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.889 0.768 . . . . 1.0 111.473 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.09 93.65 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -80.78 -27.75 36.59 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -99.9 -39.37 8.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.472 1.109 . . . . 1.0 113.96 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 122.193 0.997 . . . . 1.0 110.771 -173.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 . . . . . 0 N--CA 1.47 0.552 0 N-CA-C 111.505 0.187 . . . . 1.0 111.505 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 p -62.21 -43.05 99.7 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.871 -0.518 . . . . 1.0 111.685 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.488 0.715 . . . . 1.0 112.846 174.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.73 96.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.373 0.669 . . . . 1.0 112.293 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.06 -38.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.648 0.779 . . . . 1.0 110.911 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -60.1 -48.91 79.76 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.68 0.673 . . . . 1.0 111.039 172.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.65 -47.79 84.66 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.385 0.674 . . . . 1.0 111.462 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -55.7 -47.62 76.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.919 1.288 . . . . 1.0 112.108 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.58 99.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.876 0.87 . . . . 1.0 112.523 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.34 -42.89 98.96 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.786 0.834 . . . . 1.0 111.904 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -67.5 -33.88 75.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.28 1.432 . . . . 1.0 113.107 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -96.2 7.82 45.44 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.872 1.434 . . . . 1.0 114.872 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.87 16.98 71.24 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.825 1.49 . . . . 1.0 116.825 169.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -96.31 137.93 34.66 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.302 1.551 . . . . 1.0 112.011 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -72.2 135.25 46.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.885 0.874 . . . . 1.0 111.493 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -148.02 148.68 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.694 1.597 . . . . 1.0 111.869 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 m -65.34 146.78 54.47 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.701 1.2 . . . . 1.0 112.083 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.7 p -83.87 -62.04 1.67 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.043 0.937 . . . . 1.0 113.155 -169.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -73.46 -36.05 65.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.059 0.943 . . . . 1.0 113.135 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.36 -162.53 30.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.761 1.648 . . . . 1.0 112.106 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 52.9 47.68 24.13 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.486 1.515 . . . . 1.0 113.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.7 mt -64.38 143.52 98.48 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 124.277 1.031 . . . . 1.0 109.315 171.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.2 138.8 57.68 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.038 1.825 . . . . 1.0 112.193 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.97 -28.78 69.25 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.214 0.82 . . . . 1.0 113.214 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.87 -38.05 81.08 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.885 0.874 . . . . 1.0 112.384 172.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.74 -36.09 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.312 1.045 . . . . 1.0 111.394 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.22 -45.45 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.567 -0.708 . . . . 1.0 110.749 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.67 -43.29 99.14 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.222 1.009 . . . . 1.0 112.123 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.06 81.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.364 1.066 . . . . 1.0 112.516 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.5 -50.46 73.47 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.007 0.923 . . . . 1.0 111.529 172.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -63.01 -33.98 76.57 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.84 85.82 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.019 -1.051 . . . . 1.0 111.392 172.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.66 73.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.282 1.033 . . . . 1.0 113.474 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.7 p -86.24 -38.86 17.17 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.413 1.264 . . . . 1.0 114.413 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.3 tp -102.24 -30.8 10.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.658 1.725 . . . . 1.0 115.658 -169.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 N--CA 1.475 0.821 0 CA-C-N 119.412 1.005 . . . . 1.0 111.56 -171.543 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 111.885 0.328 . . . . 1.0 111.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.91 -175.71 50.04 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.315 0.959 . . . . 1.0 114.534 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.1 m -69.92 149.43 47.82 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.704 1.202 . . . . 1.0 112.901 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.6 -164.9 31.32 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 124.157 0.884 . . . . 1.0 113.48 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -66.15 -18.77 65.56 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.663 1.357 . . . . 1.0 114.663 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.02 -13.04 46.51 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.157 1.361 . . . . 1.0 115.221 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -64.99 -24.88 67.64 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.495 1.118 . . . . 1.0 113.189 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.1 9.19 80.12 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.932 1.253 . . . . 1.0 115.61 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.39 146.46 42.95 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.608 1.204 . . . . 1.0 112.766 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.5 mm -107.26 153.41 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 125.931 1.693 . . . . 1.0 110.492 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -86.37 -43.04 13.18 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.223 1.009 . . . . 1.0 112.753 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -99.76 41.03 1.18 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.379 1.872 . . . . 1.0 111.161 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.16 -13.94 42.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.255 1.822 . . . . 1.0 114.995 -169.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -61.65 -13.81 25.63 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.16 -0.962 . . . . 1.0 112.716 169.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.4 p -50.64 -43.73 57.2 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.955 -1.091 . . . . 1.0 112.371 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.24 86.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.235 1.014 . . . . 1.0 112.691 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -38.52 79.34 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.656 0.782 . . . . 1.0 112.148 175.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.56 -39.64 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.722 0.809 . . . . 1.0 111.009 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -59.3 -48.03 83.16 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.28 1.032 . . . . 1.0 111.181 172.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.9 -46.11 89.35 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.424 0.69 . . . . 1.0 111.667 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -56.69 -45.7 81.63 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.084 0.954 . . . . 1.0 112.148 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.468 0.707 . . . . 1.0 111.594 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -61.98 -45.85 91.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.256 1.022 . . . . 1.0 112.043 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -60.3 -31.82 70.62 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.877 1.271 . . . . 1.0 112.849 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -93.71 2.27 56.33 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.703 1.201 . . . . 1.0 113.818 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.69 18.38 73.93 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.649 1.118 . . . . 1.0 115.032 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -84.66 150.34 25.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.144 1.378 . . . . 1.0 111.574 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -69.52 125.97 28.31 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.676 0.79 . . . . 1.0 111.27 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -152.31 147.89 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.38 1.472 . . . . 1.0 110.666 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 t -73.09 155.06 40.1 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.143 0.497 . . . . 1.0 112.007 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.9 p -72.65 -34.44 67.26 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.001 0.92 . . . . 1.0 112.838 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -138.08 164.78 28.25 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.448 1.899 . . . . 1.0 111.63 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.07 -151.98 44.74 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.024 0.821 . . . . 1.0 113.953 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -71.95 154.58 41.1 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.61 1.164 . . . . 1.0 113.167 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.4 mt -109.72 145.25 31.58 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 126.467 1.907 . . . . 1.0 109.233 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.58 138.93 61.64 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.107 1.872 . . . . 1.0 111.787 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.75 -28.35 68.64 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.039 0.755 . . . . 1.0 113.039 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -61.17 -35.62 77.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.004 0.921 . . . . 1.0 112.696 172.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.66 -34.49 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.527 1.131 . . . . 1.0 111.218 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.54 -43.91 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.437 -0.79 . . . . 1.0 110.725 170.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.35 -43.38 98.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.382 1.073 . . . . 1.0 112.202 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.86 -43.37 85.91 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.324 1.05 . . . . 1.0 112.528 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -63.03 -48.01 80.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.252 1.021 . . . . 1.0 111.46 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -60.0 -38.25 82.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.647 -0.658 . . . . 1.0 112.734 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.54 98.62 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.273 -0.892 . . . . 1.0 111.519 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.89 97.74 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.573 0.749 . . . . 1.0 113.019 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.1 p -78.63 -24.77 45.1 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -97.28 -45.75 6.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.547 1.139 . . . . 1.0 113.625 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -86.26 -22.08 27.02 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 -169.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -63.83 -17.21 62.9 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.253 1.205 . . . . 1.0 114.253 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -115.85 26.45 9.98 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.727 2.011 . . . . 1.0 113.43 171.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -141.11 -46.91 0.39 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.527 1.531 . . . . 1.0 114.465 -177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -125.64 33.46 5.1 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.82 1.648 . . . . 1.0 112.52 -175.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -146.71 153.52 40.35 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.354 1.862 . . . . 1.0 111.341 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.773 1.629 . . . . 1.0 112.092 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 119.353 -0.356 . . . . 1.0 111.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.68 -171.25 52.05 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.881 1.229 . . . . 1.0 114.359 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.6 p -146.5 159.57 43.24 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.377 1.471 . . . . 1.0 112.686 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.37 169.5 54.04 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.431 1.015 . . . . 1.0 114.557 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -74.67 -19.01 60.44 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.211 1.189 . . . . 1.0 114.211 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.72 -28.95 1.54 Allowed Glycine 0 CA--C 1.538 1.529 0 C-N-CA 126.266 1.888 . . . . 1.0 115.975 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -130.56 164.36 25.06 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.534 2.333 . . . . 1.0 110.784 174.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.73 141.81 40.9 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.753 0.692 . . . . 1.0 112.989 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.72 159.94 43.64 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.368 1.467 . . . . 1.0 111.745 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.9 mt -67.25 137.49 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.669 0.787 . . . . 1.0 110.424 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -112.11 -39.17 4.55 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.05 1.34 . . . . 1.0 111.934 170.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -148.28 -17.29 0.34 Allowed 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 114.785 1.402 . . . . 1.0 114.785 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -46.2 -56.41 5.76 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.614 1.966 . . . . 1.0 116.184 -168.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -68.87 -37.91 79.38 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.463 1.029 . . . . 1.0 112.252 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m -64.13 -43.64 94.63 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.194 0.998 . . . . 1.0 111.042 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.319 1.047 . . . . 1.0 111.957 173.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.29 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.272 0.942 . . . . 1.0 112.321 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.84 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.884 0.873 . . . . 1.0 111.11 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -57.58 -50.35 73.41 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.859 0.863 . . . . 1.0 110.975 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.16 -34.88 78.5 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.933 0.893 . . . . 1.0 112.869 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -65.87 -47.83 73.56 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.455 1.102 . . . . 1.0 111.567 169.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.46 96.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.829 0.852 . . . . 1.0 112.439 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -59.95 -39.85 86.99 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.71 1.204 . . . . 1.0 112.72 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -75.42 -24.3 57.08 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.675 1.19 . . . . 1.0 113.749 177.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -96.65 0.9 50.5 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.919 1.287 . . . . 1.0 113.721 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.13 22.2 78.92 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.556 1.074 . . . . 1.0 114.76 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -93.67 151.01 19.94 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.881 1.273 . . . . 1.0 112.081 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -70.46 123.07 20.88 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.798 0.839 . . . . 1.0 112.192 -175.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 p -156.38 144.32 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.766 1.626 . . . . 1.0 110.711 172.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -68.95 153.03 44.51 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.45 1.1 . . . . 1.0 112.244 174.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -67.85 -30.0 69.28 Favored 'General case' 0 N--CA 1.483 1.225 0 O-C-N 121.037 -1.039 . . . . 1.0 113.308 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.44 167.37 23.79 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.374 2.269 . . . . 1.0 111.749 177.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.8 -144.48 31.36 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.026 0.822 . . . . 1.0 113.624 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.83 154.13 42.21 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.836 1.254 . . . . 1.0 113.023 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mt -121.48 139.53 29.94 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 126.307 1.843 . . . . 1.0 109.224 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.57 136.82 47.86 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.053 2.502 . . . . 1.0 112.512 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.17 67.77 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.59 0.959 . . . . 1.0 113.59 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -61.14 -40.33 93.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.157 0.983 . . . . 1.0 112.336 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 p -80.46 -29.7 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 121.728 -0.608 . . . . 1.0 112.388 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.19 -45.21 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.226 0.61 . . . . 1.0 110.292 169.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.54 -43.86 97.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.064 -1.022 . . . . 1.0 112.298 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.38 -40.62 87.12 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 1.0 112.651 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -61.67 -48.23 81.76 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.696 0.799 . . . . 1.0 111.334 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -64.01 -33.69 76.3 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.4 87.8 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.277 -0.89 . . . . 1.0 111.3 170.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.59 87.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.052 0.941 . . . . 1.0 113.237 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.0 p -77.61 -41.44 38.55 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.218 0.821 . . . . 1.0 113.218 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.88 -51.98 5.21 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.618 0.97 . . . . 1.0 113.618 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -76.66 -25.57 53.87 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.176 0.806 . . . . 1.0 113.176 -169.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -64.45 -22.93 67.11 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.22 0.918 . . . . 1.0 113.202 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -93.14 -2.52 55.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.759 1.624 . . . . 1.0 114.387 174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -84.39 156.18 21.95 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.889 1.275 . . . . 1.0 111.615 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -76.02 -37.0 58.9 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.37 1.248 . . . . 1.0 114.37 -171.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 57.46 177.85 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 126.639 1.976 . . . . 1.0 114.102 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 124.687 1.195 . . . . 1.0 112.543 178.081 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 112.005 0.372 . . . . 1.0 112.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.51 -24.61 66.13 Favored Glycine 0 N--CA 1.477 1.387 0 C-N-CA 124.584 1.088 . . . . 1.0 115.509 -172.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m -60.88 -18.94 59.13 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.085 1.354 . . . . 1.0 113.956 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.37 -10.86 84.5 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.458 1.028 . . . . 1.0 114.819 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -127.97 -39.97 1.73 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.443 1.497 . . . . 1.0 113.613 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.32 135.43 23.89 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 123.923 0.773 . . . . 1.0 113.456 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -70.22 -36.59 74.65 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.596 1.159 . . . . 1.0 113.009 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.28 128.74 0.77 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.244 1.402 . . . . 1.0 112.361 -171.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.64 118.64 19.49 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.98 -0.718 . . . . 1.0 111.138 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.321 11.0 tt -145.91 6.59 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 117.619 2.452 . . . . 1.0 117.619 -177.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t70 58.34 -35.43 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 129.666 3.187 . . . . 1.0 115.496 -170.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -76.72 48.42 0.56 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.176 2.991 . . . . 1.0 111.178 171.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -103.94 -6.09 21.62 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 127.023 2.129 . . . . 1.0 113.957 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.15 -17.6 64.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.915 0.886 . . . . 1.0 113.235 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.1 p -57.81 -39.66 78.12 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.175 0.99 . . . . 1.0 112.363 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.99 95.28 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.395 1.078 . . . . 1.0 112.047 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.84 85.55 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.396 0.678 . . . . 1.0 112.127 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.37 -42.95 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.743 0.817 . . . . 1.0 110.767 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -62.46 -45.84 91.22 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 1.0 112.171 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.98 -45.53 92.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.58 0.627 . . . . 1.0 111.773 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -55.99 -45.83 78.86 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.802 0.841 . . . . 1.0 111.863 173.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.9 99.3 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.548 -0.72 . . . . 1.0 111.681 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.03 -43.98 97.69 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.244 1.018 . . . . 1.0 112.16 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -62.3 -31.86 72.51 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.599 1.16 . . . . 1.0 113.05 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -92.39 -1.9 56.7 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.819 1.248 . . . . 1.0 114.152 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.57 19.51 72.97 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.186 0.898 . . . . 1.0 114.66 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -88.71 147.59 24.41 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.086 1.354 . . . . 1.0 111.44 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.74 135.98 50.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.137 0.575 . . . . 1.0 111.596 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -153.83 144.45 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.172 1.389 . . . . 1.0 110.661 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.1 t -81.35 139.79 35.13 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.777 -0.577 . . . . 1.0 111.59 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.5 p -79.66 -12.53 59.81 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.109 1.364 . . . . 1.0 114.039 -178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -130.71 159.26 37.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.862 1.665 . . . . 1.0 112.374 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 63.32 -160.58 35.67 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.551 1.072 . . . . 1.0 114.001 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.8 151.4 44.85 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.285 1.034 . . . . 1.0 112.107 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.95 142.8 60.68 Favored Pre-proline 0 N--CA 1.477 0.898 0 C-N-CA 124.478 1.111 . . . . 1.0 110.124 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.36 142.35 65.7 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.596 2.198 . . . . 1.0 112.191 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.07 -26.56 67.73 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.315 0.857 . . . . 1.0 113.315 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.6 -44.17 72.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.564 1.146 . . . . 1.0 111.96 170.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.79 -34.65 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 123.967 0.907 . . . . 1.0 111.411 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.0 mt -62.84 -47.17 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.853 -0.529 . . . . 1.0 110.406 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.4 -44.61 92.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.072 0.949 . . . . 1.0 111.9 173.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.16 -46.54 85.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.601 1.16 . . . . 1.0 112.981 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.69 -47.0 85.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.346 1.058 . . . . 1.0 111.306 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -63.69 -36.48 83.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.94 95.66 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.527 1.058 . . . . 1.0 111.209 174.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.17 82.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.963 0.905 . . . . 1.0 113.405 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.2 p -83.14 -34.29 26.08 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.877 1.066 . . . . 1.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.6 tp -92.84 -40.91 10.37 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 114.014 1.116 . . . . 1.0 114.014 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -87.65 153.11 21.64 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.447 0.906 . . . . 1.0 113.447 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -142.87 111.71 6.42 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.018 1.327 . . . . 1.0 111.415 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.6 m170 47.96 46.37 19.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.364 1.866 . . . . 1.0 114.458 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.41 149.14 50.85 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.314 1.046 . . . . 1.0 112.372 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -65.12 150.09 48.76 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.61 1.164 . . . . 1.0 111.99 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -137.66 143.38 41.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.719 1.608 . . . . 1.0 110.983 172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 127.061 2.145 . . . . 1.0 114.523 179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.5 167.94 54.13 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.217 0.913 . . . . 1.0 114.196 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.9 m -76.53 -15.12 59.95 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.73 1.381 . . . . 1.0 114.73 -175.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.39 -157.44 52.8 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.194 0.902 . . . . 1.0 113.856 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -76.35 -21.64 55.87 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.792 1.034 . . . . 1.0 113.792 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.83 18.31 75.94 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.501 1.048 . . . . 1.0 115.361 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -83.61 151.84 25.12 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.071 1.348 . . . . 1.0 112.222 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.33 155.35 52.41 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.178 0.894 . . . . 1.0 113.649 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.57 30.8 2.33 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.652 1.181 . . . . 1.0 113.341 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.2 mt -130.38 135.24 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.423 1.489 . . . . 1.0 109.796 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -142.74 -41.71 0.32 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.848 1.055 . . . . 1.0 113.848 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.14 -23.55 51.7 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.197 1.184 . . . . 1.0 114.197 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.87 128.23 34.89 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.346 0.658 . . . . 1.0 111.182 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -67.24 -29.71 69.42 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.758 -0.589 . . . . 1.0 112.206 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -58.39 -47.21 84.6 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.874 0.869 . . . . 1.0 111.732 169.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.91 91.3 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.654 0.781 . . . . 1.0 112.183 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.59 98.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.199 0.599 . . . . 1.0 112.486 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -71.39 -39.24 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.49 0.716 . . . . 1.0 111.247 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -59.95 -48.02 83.41 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.045 0.839 . . . . 1.0 111.276 173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -62.45 -45.35 93.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.909 0.884 . . . . 1.0 112.482 175.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -56.16 -48.17 76.83 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.196 0.907 . . . . 1.0 112.098 173.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.51 98.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.736 0.814 . . . . 1.0 111.73 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -60.12 -45.93 91.33 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.243 1.417 . . . . 1.0 112.281 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -70.79 -26.05 63.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.29 1.036 . . . . 1.0 113.459 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -92.08 1.38 57.24 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.466 1.106 . . . . 1.0 113.757 174.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.36 18.85 77.17 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.448 1.023 . . . . 1.0 114.861 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -84.65 150.87 24.86 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.942 1.297 . . . . 1.0 111.351 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.18 128.09 34.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.109 0.564 . . . . 1.0 111.336 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -154.43 144.67 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.311 1.444 . . . . 1.0 110.533 176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.3 t -81.46 143.38 32.13 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.819 -0.55 . . . . 1.0 111.558 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -83.09 -18.44 39.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.805 1.242 . . . . 1.0 113.176 173.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -120.06 -36.38 3.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.287 1.435 . . . . 1.0 113.8 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.18 177.27 54.34 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.035 1.302 . . . . 1.0 113.642 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -71.77 154.56 41.23 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.437 1.095 . . . . 1.0 111.683 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.8 mt -79.7 138.44 54.39 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.012 0.925 . . . . 1.0 109.699 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.86 140.05 59.47 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.425 2.083 . . . . 1.0 111.95 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.1 -29.15 69.58 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.8 -37.18 78.42 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.047 0.939 . . . . 1.0 112.458 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 t -79.88 -35.32 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.745 1.218 . . . . 1.0 111.455 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.2 mt -61.29 -44.94 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.488 -0.758 . . . . 1.0 110.726 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.58 -43.73 98.32 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.138 0.975 . . . . 1.0 112.172 172.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.66 79.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.515 1.126 . . . . 1.0 112.545 174.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.25 -50.02 74.74 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.154 0.982 . . . . 1.0 111.416 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -63.97 -32.45 74.0 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.906 0.706 . . . . 1.0 112.906 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.56 79.04 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.974 -1.079 . . . . 1.0 111.149 170.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.25 -33.0 73.77 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.927 1.084 . . . . 1.0 113.927 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.8 p -85.28 -45.66 11.74 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.892 1.071 . . . . 1.0 113.892 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.43 -38.13 19.01 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.19 0.905 . . . . 1.0 113.288 -172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -90.34 13.28 15.85 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.52 1.128 . . . . 1.0 113.118 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -59.54 -21.48 60.3 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.981 1.312 . . . . 1.0 114.275 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -120.45 28.4 8.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.797 2.039 . . . . 1.0 113.376 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -60.59 147.01 43.19 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.555 1.142 . . . . 1.0 112.364 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -66.78 142.0 57.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.674 1.189 . . . . 1.0 113.22 -175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -83.5 -28.81 28.43 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.741 1.015 . . . . 1.0 113.741 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 124.885 1.274 . . . . 1.0 111.134 172.461 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 111.858 0.318 . . . . 1.0 111.858 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.95 165.05 54.89 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.353 0.978 . . . . 1.0 114.295 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.8 p -79.58 160.94 26.24 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.878 1.271 . . . . 1.0 113.136 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.62 177.78 48.52 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.667 1.127 . . . . 1.0 113.438 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -72.36 141.09 48.77 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.724 1.209 . . . . 1.0 111.191 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 57.44 -124.77 37.05 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.089 0.852 . . . . 1.0 112.661 177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -91.84 12.24 22.15 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.308 1.443 . . . . 1.0 113.543 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.99 3.93 82.46 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 124.894 1.235 . . . . 1.0 114.682 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.2 143.95 36.32 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.832 1.653 . . . . 1.0 110.648 172.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.4 mm -132.11 135.84 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.861 1.264 . . . . 1.0 111.261 -170.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -106.8 82.3 1.68 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.902 1.281 . . . . 1.0 109.347 169.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 60.13 -8.25 0.06 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 118.101 2.63 . . . . 1.0 118.101 172.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -54.24 -46.31 72.53 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 121.057 1.753 . . . . 1.0 112.692 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -66.98 -39.35 87.15 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.556 0.742 . . . . 1.0 111.791 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.6 m -65.95 -42.91 89.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.142 0.977 . . . . 1.0 111.346 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.86 98.15 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.22 1.008 . . . . 1.0 111.729 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.53 84.43 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.56 0.578 . . . . 1.0 112.56 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.6 mt -68.26 -41.48 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.414 0.686 . . . . 1.0 111.093 174.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -62.69 -46.86 86.18 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.617 0.767 . . . . 1.0 111.774 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.78 -46.58 89.92 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.274 1.03 . . . . 1.0 111.848 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -56.97 -47.67 80.2 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.009 0.924 . . . . 1.0 112.32 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.03 95.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.388 0.675 . . . . 1.0 111.096 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -60.47 -46.27 90.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.564 1.145 . . . . 1.0 112.097 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -65.04 -28.35 69.42 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.733 1.213 . . . . 1.0 113.415 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -92.99 1.98 57.03 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.532 1.133 . . . . 1.0 113.767 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.42 17.72 74.68 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.414 1.007 . . . . 1.0 114.881 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -85.24 151.53 24.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.98 1.312 . . . . 1.0 111.82 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.4 137.27 52.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.353 0.661 . . . . 1.0 111.427 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.0 141.53 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.896 1.278 . . . . 1.0 110.959 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.6 m -65.23 135.79 55.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.663 1.185 . . . . 1.0 112.84 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.7 p -87.52 -20.09 26.99 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.804 1.242 . . . . 1.0 113.553 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -130.61 155.21 46.92 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.413 2.285 . . . . 1.0 110.6 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.79 -161.82 48.79 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 123.847 0.737 . . . . 1.0 114.266 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -75.7 146.09 40.43 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.083 1.353 . . . . 1.0 111.915 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.7 142.95 96.34 Favored Pre-proline 0 N--CA 1.481 1.079 0 C-N-CA 124.085 0.954 . . . . 1.0 109.787 174.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.65 138.76 55.36 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.29 1.993 . . . . 1.0 112.073 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.19 -29.13 68.5 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.22 -37.16 79.47 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.901 0.88 . . . . 1.0 112.491 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.35 -35.57 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.467 1.107 . . . . 1.0 111.522 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.53 -46.0 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.55 -0.719 . . . . 1.0 110.454 170.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -61.61 -44.05 97.72 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.224 1.01 . . . . 1.0 112.328 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.25 84.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.37 1.068 . . . . 1.0 112.634 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -60.47 -51.0 71.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.123 0.969 . . . . 1.0 111.224 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -62.03 -35.93 80.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.041 0.756 . . . . 1.0 113.041 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.53 89.89 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.155 0.888 . . . . 1.0 111.187 173.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.47 93.62 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.932 0.893 . . . . 1.0 113.409 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -78.32 -30.94 48.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.664 0.987 . . . . 1.0 113.664 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.5 tp -82.35 -56.21 4.04 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.373 1.069 . . . . 1.0 112.122 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.22 96.69 6.65 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.619 0.723 . . . . 1.0 111.815 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -75.33 -5.42 44.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.504 1.298 . . . . 1.0 114.504 -175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -83.15 -4.15 58.08 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 114.982 1.475 . . . . 1.0 114.982 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -64.02 150.61 44.93 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.462 1.028 . . . . 1.0 112.81 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 51.13 42.41 28.67 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 126.418 1.887 . . . . 1.0 114.412 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -70.58 151.37 45.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.343 1.057 . . . . 1.0 111.986 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.705 1.602 . . . . 1.0 111.027 175.144 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 111.841 0.311 . . . . 1.0 111.841 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.3 173.18 45.22 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.525 1.06 . . . . 1.0 113.731 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m 57.14 23.45 8.59 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.846 1.795 . . . . 1.0 115.846 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.16 161.52 49.02 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.482 1.039 . . . . 1.0 113.685 176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 60.93 161.48 0.06 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 127.731 2.412 . . . . 1.0 116.167 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.24 144.74 45.0 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-N 114.929 -1.032 . . . . 1.0 110.964 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -52.09 104.54 0.09 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.738 1.615 . . . . 1.0 112.382 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.36 18.12 57.73 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.358 0.98 . . . . 1.0 114.905 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 144.25 44.18 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.582 1.191 . . . . 1.0 113.061 -171.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.6 mt -120.75 143.05 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.456 1.502 . . . . 1.0 109.744 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -95.42 -47.73 6.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.556 1.142 . . . . 1.0 111.818 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.76 43.8 1.01 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.67 1.588 . . . . 1.0 111.284 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.18 -23.67 64.88 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.909 1.283 . . . . 1.0 113.367 -169.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -60.61 -35.37 75.97 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.532 -0.73 . . . . 1.0 111.584 169.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -65.54 -43.52 89.69 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.195 -0.941 . . . . 1.0 111.297 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.61 91.96 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.543 -0.723 . . . . 1.0 112.474 174.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.89 91.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.537 0.735 . . . . 1.0 112.611 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.73 -38.48 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.642 0.777 . . . . 1.0 111.063 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -58.57 -49.63 76.75 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.324 1.05 . . . . 1.0 110.962 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.24 -45.78 91.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.016 0.526 . . . . 1.0 111.766 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -57.09 -46.57 82.45 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.091 0.956 . . . . 1.0 112.23 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.69 99.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.393 0.677 . . . . 1.0 111.505 178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -63.32 -45.88 89.26 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.585 1.154 . . . . 1.0 111.725 174.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.01 -32.87 71.27 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.96 1.304 . . . . 1.0 113.091 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -91.99 1.49 57.16 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.734 1.214 . . . . 1.0 114.022 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.37 19.37 74.3 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.489 1.043 . . . . 1.0 114.967 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -84.2 152.0 24.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.011 1.324 . . . . 1.0 111.69 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -69.32 123.09 20.28 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.678 0.791 . . . . 1.0 111.13 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.5 p -152.98 149.26 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.37 1.468 . . . . 1.0 110.875 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.1 t -70.88 149.37 46.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.236 0.541 . . . . 1.0 111.921 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 p -73.25 -37.48 66.33 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.848 0.859 . . . . 1.0 112.163 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -133.74 -23.21 1.83 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.137 1.375 . . . . 1.0 114.518 -173.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.4 -170.71 37.5 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.934 1.254 . . . . 1.0 114.304 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -69.36 154.24 42.34 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.658 1.183 . . . . 1.0 112.117 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -98.42 137.95 20.76 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 1.0 109.619 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.1 140.1 58.39 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.511 2.14 . . . . 1.0 112.172 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.73 -28.83 68.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.925 0.713 . . . . 1.0 112.925 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.56 -36.5 78.63 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 1.0 112.543 172.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.5 t -79.59 -35.34 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.635 1.174 . . . . 1.0 111.375 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.9 mt -61.59 -45.13 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.62 -0.675 . . . . 1.0 110.673 170.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.37 -43.42 98.9 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.105 -0.997 . . . . 1.0 112.236 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.45 82.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.198 0.999 . . . . 1.0 112.604 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -60.21 -51.33 70.03 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.17 0.988 . . . . 1.0 111.095 173.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -62.54 -35.61 79.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.892 0.701 . . . . 1.0 112.892 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.54 96.54 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.272 -0.892 . . . . 1.0 111.815 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.64 -40.29 80.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.621 0.971 . . . . 1.0 113.621 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.1 p -81.65 -27.4 34.1 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.332 1.234 . . . . 1.0 114.332 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -101.73 -44.7 5.47 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.937 0.895 . . . . 1.0 113.286 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 46.01 34.6 2.07 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.091 1.756 . . . . 1.0 113.667 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 51.4 t60 58.99 -26.01 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 128.694 2.797 . . . . 1.0 116.657 -169.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -103.48 -20.56 14.0 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.793 1.637 . . . . 1.0 115.277 -169.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -103.97 122.46 45.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.284 1.433 . . . . 1.0 111.407 -175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -136.85 30.1 2.82 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.234 1.414 . . . . 1.0 113.417 -174.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -131.13 160.71 33.93 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.636 1.574 . . . . 1.0 112.25 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 39.7 m80 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.082 1.753 . . . . 1.0 111.68 178.086 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 112.034 0.383 . . . . 1.0 112.034 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.66 -18.81 79.57 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 115.385 0.914 . . . . 1.0 115.385 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 t -145.57 160.46 41.61 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.715 1.606 . . . . 1.0 111.51 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.6 175.92 46.06 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.072 1.32 . . . . 1.0 113.506 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -130.21 145.03 51.69 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.661 1.585 . . . . 1.0 112.225 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 156.27 159.81 9.64 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.973 1.749 . . . . 1.0 111.785 -174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -141.66 148.84 39.78 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.815 1.646 . . . . 1.0 113.121 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.59 -8.91 76.26 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.003 1.287 . . . . 1.0 115.023 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.44 165.63 23.4 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.615 1.166 . . . . 1.0 113.264 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.73 139.23 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 124.006 0.923 . . . . 1.0 110.017 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -135.21 -47.84 0.71 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.605 1.335 . . . . 1.0 114.605 -169.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -79.66 -23.1 42.74 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.813 1.042 . . . . 1.0 113.813 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.02 137.41 53.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.088 0.955 . . . . 1.0 111.918 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -63.28 -35.44 80.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.399 -0.813 . . . . 1.0 112.156 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.8 m -60.37 -42.62 96.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.451 0.7 . . . . 1.0 112.108 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.05 84.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.701 0.8 . . . . 1.0 112.263 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.3 98.82 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.171 0.588 . . . . 1.0 112.467 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.96 -42.47 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.857 0.863 . . . . 1.0 110.972 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -58.18 -47.52 83.18 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 119.171 0.896 . . . . 1.0 111.923 172.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.49 -47.74 82.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.488 0.715 . . . . 1.0 112.215 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -57.44 -46.67 83.34 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.119 0.872 . . . . 1.0 111.999 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.08 91.63 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.755 0.822 . . . . 1.0 111.628 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -62.37 -43.36 99.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.223 1.009 . . . . 1.0 112.452 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -69.52 -24.89 63.8 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.188 0.995 . . . . 1.0 113.653 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.92 3.38 44.42 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.607 1.163 . . . . 1.0 114.013 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.68 18.75 77.52 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.586 1.088 . . . . 1.0 115.302 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -85.74 153.05 22.58 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.033 1.333 . . . . 1.0 112.027 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -73.51 122.45 22.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.929 0.892 . . . . 1.0 112.407 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -153.16 144.34 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.132 1.773 . . . . 1.0 110.088 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.8 t -90.27 147.38 23.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.448 0.699 . . . . 1.0 111.842 173.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 p -74.86 -14.01 60.62 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.66 1.184 . . . . 1.0 113.244 173.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -112.43 159.6 18.57 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.415 1.886 . . . . 1.0 111.736 177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.66 -159.52 34.72 Favored Glycine 0 CA--C 1.54 1.597 0 C-N-CA 124.666 1.127 . . . . 1.0 114.646 176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -78.57 154.2 30.56 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.757 1.223 . . . . 1.0 112.084 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.56 142.36 53.53 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.655 1.182 . . . . 1.0 109.776 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -65.21 135.61 44.07 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.339 2.693 . . . . 1.0 112.578 175.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.41 67.83 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.73 1.011 . . . . 1.0 113.73 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.76 -41.43 95.45 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.835 0.854 . . . . 1.0 112.518 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.9 -30.22 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 1.0 112.209 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.97 -44.79 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.241 0.617 . . . . 1.0 110.842 169.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.01 -44.45 96.7 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.178 0.991 . . . . 1.0 112.121 175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.38 93.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.72 0.808 . . . . 1.0 112.592 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 1.0 111.835 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -61.01 -43.51 98.78 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.411 -0.806 . . . . 1.0 112.151 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.51 -47.11 87.12 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.681 1.128 . . . . 1.0 111.642 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.72 88.25 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.025 0.93 . . . . 1.0 113.351 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.6 p -88.2 -31.58 19.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.362 1.245 . . . . 1.0 114.362 -176.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.93 -39.08 10.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.279 0.945 . . . . 1.0 112.997 -175.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -81.73 69.16 8.34 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.828 0.823 . . . . 1.0 111.311 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -56.31 -23.48 37.26 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.421 1.267 . . . . 1.0 114.421 -173.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -86.92 2.38 49.48 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.746 1.618 . . . . 1.0 114.519 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -61.49 147.15 46.23 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.21 1.368 . . . . 1.0 112.889 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -148.94 162.37 40.0 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.438 1.495 . . . . 1.0 111.98 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -78.28 64.18 3.34 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.429 1.492 . . . . 1.0 112.584 177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.0 m80 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.587 1.955 . . . . 1.0 112.774 -170.122 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 111.93 0.345 . . . . 1.0 111.93 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.43 -164.22 54.59 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.343 0.973 . . . . 1.0 114.392 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 t -146.34 152.84 39.77 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.197 1.399 . . . . 1.0 112.028 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.83 154.4 53.29 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.224 1.393 . . . . 1.0 113.822 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -113.92 169.47 8.97 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.086 1.754 . . . . 1.0 112.2 -171.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.57 33.01 61.25 Favored Glycine 0 N--CA 1.477 1.386 0 C-N-CA 123.753 0.692 . . . . 1.0 113.449 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -132.1 166.11 22.52 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.222 1.809 . . . . 1.0 113.022 -173.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.45 167.28 53.94 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.118 0.866 . . . . 1.0 113.541 169.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.29 155.01 37.87 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.99 1.716 . . . . 1.0 111.528 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 mp -98.49 131.26 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.251 1.02 . . . . 1.0 109.975 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -95.49 -58.57 2.09 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.93 0.892 . . . . 1.0 110.251 169.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -144.11 0.84 1.08 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.987 2.218 . . . . 1.0 116.987 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.66 -43.84 80.76 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.795 1.035 . . . . 1.0 113.795 -169.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.23 -35.67 80.07 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.64 -0.663 . . . . 1.0 112.39 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.1 t -66.29 -48.48 70.25 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.985 0.914 . . . . 1.0 110.688 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.3 83.32 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.183 0.993 . . . . 1.0 112.684 174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.56 -43.54 96.75 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.569 -0.707 . . . . 1.0 112.39 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -66.82 -39.65 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 118.732 0.697 . . . . 1.0 111.094 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.46 -51.09 71.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.941 0.897 . . . . 1.0 111.453 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.24 -38.43 85.17 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.289 0.495 . . . . 1.0 111.982 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -57.54 -47.21 82.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.998 0.919 . . . . 1.0 111.25 169.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.32 97.12 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.55 -0.719 . . . . 1.0 112.001 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -57.48 -44.89 85.26 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.082 1.353 . . . . 1.0 111.991 173.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -69.69 -28.98 66.3 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.86 1.264 . . . . 1.0 113.615 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -90.56 -5.47 55.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.635 1.174 . . . . 1.0 113.706 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.74 18.94 79.05 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.625 1.107 . . . . 1.0 114.677 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -87.13 143.34 27.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.763 1.225 . . . . 1.0 110.833 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -66.26 131.07 45.29 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.453 0.701 . . . . 1.0 111.701 -176.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -150.49 141.49 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.872 1.269 . . . . 1.0 110.767 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.9 t -92.27 147.49 22.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.946 0.898 . . . . 1.0 112.788 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 p -99.08 -5.92 29.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.785 1.634 . . . . 1.0 113.115 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -95.49 -1.6 50.39 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.233 1.413 . . . . 1.0 114.398 -170.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.56 -163.72 27.6 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.521 1.534 . . . . 1.0 112.952 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -66.96 151.8 46.95 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.035 0.934 . . . . 1.0 111.839 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -72.19 131.11 85.47 Favored Pre-proline 0 N--CA 1.477 0.889 0 C-N-CA 123.867 0.867 . . . . 1.0 110.382 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.77 148.83 53.23 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.824 2.349 . . . . 1.0 112.259 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.92 67.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 114.678 1.362 . . . . 1.0 114.678 -169.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.3 -32.37 71.15 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.303 0.956 . . . . 1.0 112.582 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 t -78.73 -35.36 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 123.797 0.839 . . . . 1.0 111.515 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.01 -42.82 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.623 0.769 . . . . 1.0 110.012 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.33 -45.07 94.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.169 0.988 . . . . 1.0 112.469 169.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.78 82.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.5 1.12 . . . . 1.0 112.241 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -60.84 -46.94 88.61 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.393 1.077 . . . . 1.0 111.237 173.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -69.46 -22.66 63.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.777 1.399 . . . . 1.0 114.777 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.19 -43.09 87.36 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.299 1.409 . . . . 1.0 110.219 169.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.66 91.41 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.751 0.82 . . . . 1.0 113.008 174.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 42.4 p -68.83 -36.91 78.77 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 119.152 0.887 . . . . 1.0 112.456 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -73.36 -44.15 59.3 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 125.088 1.355 . . . . 1.0 111.604 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -67.05 -15.26 63.61 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -68.3 -21.6 64.76 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.034 -1.041 . . . . 1.0 112.368 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -106.99 -33.93 7.34 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.797 1.639 . . . . 1.0 113.832 174.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . 0.259 32.9 p80 46.86 40.27 8.77 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 128.199 2.6 . . . . 1.0 116.395 171.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -132.15 149.38 52.41 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.535 1.534 . . . . 1.0 111.616 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -71.16 146.77 48.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.674 1.19 . . . . 1.0 112.395 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.5 m80 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.427 1.891 . . . . 1.0 111.018 177.789 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.05 178.64 48.54 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.592 1.091 . . . . 1.0 113.439 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.5 p -86.73 -2.21 58.35 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.919 1.451 . . . . 1.0 114.919 -175.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.16 -114.34 6.32 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.569 1.081 . . . . 1.0 112.646 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 tpp85 -58.78 -21.93 56.97 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.928 1.291 . . . . 1.0 113.275 175.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.11 -11.89 75.31 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.979 1.276 . . . . 1.0 115.514 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -71.19 150.32 45.45 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.12 1.46 . . . . 1.0 112.074 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.03 142.13 37.27 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 123.834 0.731 . . . . 1.0 112.807 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.45 32.07 1.88 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.562 1.145 . . . . 1.0 113.49 -175.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.52 145.79 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.421 1.488 . . . . 1.0 111.35 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -84.92 41.95 0.9 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.686 1.194 . . . . 1.0 112.561 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.1 ttm-85 50.11 35.52 10.27 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.199 2.2 . . . . 1.0 114.392 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.44 -29.99 71.19 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.083 -1.011 . . . . 1.0 112.892 -177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -64.86 -43.64 92.31 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.484 -0.76 . . . . 1.0 112.366 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 m -64.52 -39.99 94.79 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.286 -0.884 . . . . 1.0 111.335 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.63 99.57 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.718 0.807 . . . . 1.0 112.156 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.16 95.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.711 0.804 . . . . 1.0 112.482 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.06 -44.93 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.33 0.652 . . . . 1.0 110.745 174.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -60.94 -47.43 86.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.681 0.793 . . . . 1.0 111.917 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.75 -46.01 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.4 0.68 . . . . 1.0 111.93 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -57.84 -45.89 85.54 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.97 0.908 . . . . 1.0 112.067 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.26 99.16 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.039 0.535 . . . . 1.0 111.434 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -62.8 -44.44 96.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.437 1.095 . . . . 1.0 112.481 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -60.75 -31.47 70.8 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.952 1.301 . . . . 1.0 112.866 175.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -93.06 1.57 57.18 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.816 1.247 . . . . 1.0 113.868 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 17.57 73.75 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.744 1.164 . . . . 1.0 114.914 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -85.53 147.88 26.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.003 1.321 . . . . 1.0 111.621 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.13 136.14 49.87 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.49 0.716 . . . . 1.0 110.749 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.34 145.53 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.706 1.202 . . . . 1.0 111.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.2 m -70.8 112.48 7.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.374 1.07 . . . . 1.0 111.117 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.1 p -80.7 -44.97 17.88 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.761 1.224 . . . . 1.0 112.815 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -104.81 -27.8 11.53 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.369 1.468 . . . . 1.0 113.536 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.03 173.83 41.66 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.16 1.362 . . . . 1.0 113.632 174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.81 139.75 58.73 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.659 1.184 . . . . 1.0 111.479 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 55.3 mt -71.36 137.59 83.92 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.879 0.872 . . . . 1.0 110.155 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.14 140.82 50.55 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.633 2.222 . . . . 1.0 112.16 176.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -28.76 68.54 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.207 0.818 . . . . 1.0 113.207 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.7 -37.97 80.31 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.9 0.88 . . . . 1.0 112.356 172.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.7 t -79.6 -34.58 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.971 0.908 . . . . 1.0 111.542 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.0 mt -60.98 -45.69 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.777 -0.577 . . . . 1.0 110.531 170.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.347 1.059 . . . . 1.0 112.409 173.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.66 -44.76 85.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.671 1.189 . . . . 1.0 112.495 174.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -64.48 -45.46 87.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.896 0.878 . . . . 1.0 111.603 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -60.71 -35.78 77.16 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.81 0.732 . . . . 1.0 112.857 175.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.21 99.63 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.09 -1.006 . . . . 1.0 111.266 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.46 88.12 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.691 -1.255 . . . . 1.0 113.306 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.4 p -79.93 -25.91 40.3 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.377 1.251 . . . . 1.0 114.377 -177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 71.4 mt -104.94 -42.74 5.25 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.325 1.05 . . . . 1.0 113.596 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -97.05 -9.41 28.16 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.592 1.157 . . . . 1.0 113.456 -176.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.9 m80 52.89 36.9 22.88 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.674 1.589 . . . . 1.0 114.014 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.0 t60 57.54 32.23 21.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.768 2.027 . . . . 1.0 115.32 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -74.84 138.95 42.86 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 121.2 -0.937 . . . . 1.0 110.981 169.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.37 137.27 39.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.789 0.835 . . . . 1.0 112.019 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -153.72 166.71 31.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.814 1.646 . . . . 1.0 111.722 174.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.008 0.923 . . . . 1.0 111.933 169.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.907 0.384 . . . . 1.0 111.694 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.64 166.7 54.85 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.587 1.089 . . . . 1.0 114.364 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.6 m -93.76 2.86 56.14 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.661 1.184 . . . . 1.0 114.145 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.09 -168.26 47.87 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.813 1.196 . . . . 1.0 115.076 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.26 127.22 31.03 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.764 1.225 . . . . 1.0 111.201 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 67.97 11.11 60.3 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.334 0.969 . . . . 1.0 115.125 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 47.85 51.02 14.86 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.595 1.958 . . . . 1.0 113.357 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.12 139.81 45.76 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.579 0.609 . . . . 1.0 112.672 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.08 152.91 52.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.824 1.25 . . . . 1.0 112.56 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 58.3 mt -128.37 133.65 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.904 1.281 . . . . 1.0 109.45 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.34 60.06 1.01 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.308 1.443 . . . . 1.0 110.612 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 59.87 -19.63 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.801 2.84 . . . . 1.0 117.082 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.28 -37.98 68.01 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.541 1.536 . . . . 1.0 114.031 -172.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.83 -25.67 62.95 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.376 -0.827 . . . . 1.0 112.689 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 p -79.44 -41.8 26.78 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.564 0.62 . . . . 1.0 110.033 169.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.5 72.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.396 1.079 . . . . 1.0 112.745 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.41 76.02 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.353 1.061 . . . . 1.0 112.542 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.8 mt -77.31 -38.41 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.428 1.091 . . . . 1.0 110.955 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 mtt-85 -59.59 -47.33 86.0 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.09 0.859 . . . . 1.0 110.848 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -65.32 -43.67 90.29 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.567 0.747 . . . . 1.0 112.125 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -57.12 -46.43 82.65 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.683 0.674 . . . . 1.0 112.16 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.22 -39.43 93.95 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.481 -0.762 . . . . 1.0 111.797 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -67.37 -43.63 80.94 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.895 1.278 . . . . 1.0 110.696 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -59.61 -34.44 72.77 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.753 1.621 . . . . 1.0 112.649 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -90.86 3.1 55.42 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.714 1.206 . . . . 1.0 114.158 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.04 16.84 76.81 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.62 1.105 . . . . 1.0 115.28 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -87.37 148.5 25.0 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.194 1.398 . . . . 1.0 111.689 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.37 129.25 38.35 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.783 0.833 . . . . 1.0 111.112 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -154.02 149.42 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.976 1.31 . . . . 1.0 111.265 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.0 t -75.31 148.23 39.51 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.862 -0.524 . . . . 1.0 111.692 172.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -76.42 -23.76 53.97 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.384 1.074 . . . . 1.0 113.245 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.2 ptp85 -141.24 -23.79 0.74 Allowed 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 116.418 2.007 . . . . 1.0 116.418 -173.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.9 -175.96 45.06 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.555 1.074 . . . . 1.0 113.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -67.09 137.06 56.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.024 0.93 . . . . 1.0 111.301 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.02 139.91 46.22 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 124.101 0.961 . . . . 1.0 109.486 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.55 138.65 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.434 2.089 . . . . 1.0 112.109 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.84 -29.06 69.92 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.913 0.708 . . . . 1.0 112.913 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.15 -37.15 79.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.968 0.907 . . . . 1.0 112.279 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -79.63 -35.27 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.716 1.206 . . . . 1.0 111.488 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.3 mt -61.02 -45.44 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 121.596 -0.69 . . . . 1.0 110.627 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.83 -43.62 98.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.117 0.967 . . . . 1.0 111.885 172.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.421 1.088 . . . . 1.0 112.693 174.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -59.89 -50.23 74.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.542 1.137 . . . . 1.0 111.275 173.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -62.92 -37.16 85.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.943 0.72 . . . . 1.0 112.943 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.33 86.22 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.332 0.969 . . . . 1.0 112.273 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.77 -41.47 78.8 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.233 1.013 . . . . 1.0 113.241 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.5 p -85.38 -35.63 21.23 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.7 tp -86.37 -33.75 20.44 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.478 1.036 . . . . 1.0 113.486 -172.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.64 110.35 2.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.647 0.779 . . . . 1.0 111.745 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -72.06 -16.21 62.03 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.975 0.91 . . . . 1.0 113.441 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -71.63 -23.81 61.76 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.69 0.996 . . . . 1.0 113.69 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -70.5 145.99 50.54 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.062 0.945 . . . . 1.0 111.603 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -149.26 159.99 43.78 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.413 1.485 . . . . 1.0 111.648 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -78.14 65.27 3.48 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.365 1.466 . . . . 1.0 112.559 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.568 1.947 . . . . 1.0 111.8 -170.409 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 111.948 0.351 . . . . 1.0 111.948 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.17 177.63 48.47 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.143 0.878 . . . . 1.0 113.738 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.8 m 55.75 32.26 19.11 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.102 1.761 . . . . 1.0 114.915 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.91 -118.99 16.87 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.263 0.935 . . . . 1.0 112.806 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -81.78 -6.55 59.16 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.573 1.149 . . . . 1.0 114.021 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.01 16.69 80.5 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.667 1.127 . . . . 1.0 115.398 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -92.97 -6.04 49.33 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.996 1.318 . . . . 1.0 114.356 -176.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.67 171.35 36.57 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.889 1.233 . . . . 1.0 114.489 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.17 158.88 21.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.536 1.135 . . . . 1.0 113.047 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.2 mt 48.75 61.0 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.901 2.08 . . . . 1.0 112.293 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -77.22 53.23 0.98 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.541 1.536 . . . . 1.0 111.868 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER 49.4 19.63 0.37 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 128.771 2.828 . . . . 1.0 116.724 -171.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.89 -49.76 55.5 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.17 -0.956 . . . . 1.0 112.279 -173.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.29 -38.8 75.09 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 112.477 0.547 . . . . 1.0 112.477 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -66.75 -43.0 85.25 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.577 -0.702 . . . . 1.0 111.686 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.93 91.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.018 0.826 . . . . 1.0 112.563 171.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.48 99.52 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.743 0.701 . . . . 1.0 112.583 175.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.35 -41.34 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.236 1.014 . . . . 1.0 111.368 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -65.61 -45.81 81.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.662 0.785 . . . . 1.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -61.87 -42.92 99.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.053 0.842 . . . . 1.0 112.571 174.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -55.98 -49.91 72.29 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.468 -0.77 . . . . 1.0 111.522 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.81 94.87 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.463 -0.773 . . . . 1.0 112.046 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.34 -44.32 72.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.249 1.819 . . . . 1.0 112.199 173.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -77.87 -24.44 48.51 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.496 1.119 . . . . 1.0 113.845 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -91.6 -6.84 51.61 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.514 1.126 . . . . 1.0 113.869 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.0 20.37 78.87 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.238 0.923 . . . . 1.0 114.204 -175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -84.71 147.24 27.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.611 1.164 . . . . 1.0 111.129 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -65.9 125.8 26.52 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.54 0.736 . . . . 1.0 111.735 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.29 148.06 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.753 1.621 . . . . 1.0 110.053 173.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.6 t -68.17 141.27 56.06 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.662 -0.649 . . . . 1.0 111.0 172.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -78.14 -20.13 52.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.409 1.083 . . . . 1.0 113.845 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.17 -31.81 0.97 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.321 1.23 . . . . 1.0 114.321 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.92 -173.23 43.27 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.911 1.243 . . . . 1.0 114.229 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -71.34 157.15 38.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.673 1.189 . . . . 1.0 111.77 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 mt -91.27 127.06 52.65 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 124.344 1.057 . . . . 1.0 110.134 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -74.82 151.54 40.61 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.749 2.3 . . . . 1.0 112.093 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -24.61 64.57 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.124 1.157 . . . . 1.0 114.124 -173.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.42 -42.96 67.57 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.564 1.146 . . . . 1.0 111.984 172.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.1 t -78.04 -35.09 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.584 0.754 . . . . 1.0 111.668 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.41 -46.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.646 0.778 . . . . 1.0 109.709 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.95 -45.13 95.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.286 1.034 . . . . 1.0 112.236 172.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.96 82.52 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.646 1.178 . . . . 1.0 112.879 176.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -60.59 -48.77 80.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.789 0.836 . . . . 1.0 111.602 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -62.73 -35.32 79.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.172 0.805 . . . . 1.0 113.172 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.57 95.21 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.16 -0.962 . . . . 1.0 111.595 173.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.84 91.01 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.208 -0.933 . . . . 1.0 113.154 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.0 p -79.24 -34.37 42.81 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.774 1.027 . . . . 1.0 113.774 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.8 tp -84.47 -50.63 7.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.214 1.006 . . . . 1.0 112.75 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -99.71 -37.92 8.91 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.646 0.98 . . . . 1.0 113.646 -172.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . 0.316 1.2 p-80 55.16 -19.71 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 129.475 3.11 . . . . 1.0 118.449 -173.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -121.12 45.46 2.27 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.607 2.363 . . . . 1.0 111.719 170.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -48.82 -31.39 7.02 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 126.83 2.052 . . . . 1.0 115.899 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -67.81 -29.45 68.62 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.396 1.258 . . . . 1.0 114.396 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 55.78 -52.0 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 129.793 3.237 . . . . 1.0 117.096 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.535 1.534 . . . . 1.0 111.773 171.244 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 111.352 0.13 . . . . 1.0 111.352 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.82 -166.94 52.97 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.715 1.15 . . . . 1.0 114.351 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.6 p -76.92 -17.44 58.93 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.653 1.353 . . . . 1.0 114.653 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.85 7.36 86.25 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.487 1.041 . . . . 1.0 115.143 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -79.39 -16.47 56.17 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.203 1.186 . . . . 1.0 114.203 -177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.42 -136.14 29.78 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.054 0.835 . . . . 1.0 113.026 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -81.95 150.06 27.88 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.871 1.269 . . . . 1.0 112.324 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.09 172.3 51.74 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.349 0.976 . . . . 1.0 114.064 174.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.25 155.03 45.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.422 1.489 . . . . 1.0 112.456 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.5 mm -100.85 139.8 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.946 1.298 . . . . 1.0 110.603 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -93.29 -56.65 2.87 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.368 0.667 . . . . 1.0 112.22 171.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -155.88 -35.16 0.09 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.644 1.72 . . . . 1.0 115.644 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -37.41 -51.07 1.1 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.86 2.064 . . . . 1.0 113.997 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -95.84 -29.37 14.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.711 0.804 . . . . 1.0 111.912 -171.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 m -60.17 -43.25 95.97 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.561 0.745 . . . . 1.0 111.168 170.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.55 97.99 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.542 0.737 . . . . 1.0 112.253 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.24 91.83 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.302 0.641 . . . . 1.0 112.314 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.98 -33.97 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.847 0.859 . . . . 1.0 111.412 178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -64.99 -45.9 83.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.116 0.967 . . . . 1.0 111.378 171.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -62.16 -42.5 99.32 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.82 0.848 . . . . 1.0 112.258 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -56.58 -50.68 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.552 -0.718 . . . . 1.0 111.606 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.59 90.07 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.261 -0.899 . . . . 1.0 112.151 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -53.43 -45.05 69.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.935 1.694 . . . . 1.0 111.885 171.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -81.96 -15.53 53.47 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.826 1.251 . . . . 1.0 114.062 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -107.03 11.96 29.13 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.384 1.473 . . . . 1.0 113.32 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.28 20.03 60.32 Favored Glycine 0 CA--C 1.539 1.534 0 O-C-N 120.954 -1.092 . . . . 1.0 115.219 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -90.52 148.43 22.73 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.926 1.29 . . . . 1.0 111.659 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -68.82 143.28 54.63 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.646 0.778 . . . . 1.0 111.69 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -156.55 149.87 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.216 1.406 . . . . 1.0 110.623 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 p -70.24 147.04 50.23 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.078 0.951 . . . . 1.0 112.808 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.7 p -86.83 -28.46 22.89 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.287 1.035 . . . . 1.0 113.564 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -137.64 157.19 47.02 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.962 2.105 . . . . 1.0 110.932 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.45 -160.48 53.61 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.095 0.855 . . . . 1.0 113.581 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -80.35 158.25 26.11 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.318 1.047 . . . . 1.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.1 mt -83.6 139.18 40.92 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.528 1.531 . . . . 1.0 110.829 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.94 146.93 54.14 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.566 2.178 . . . . 1.0 112.064 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.32 63.75 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.761 1.393 . . . . 1.0 114.761 -169.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.94 -37.99 77.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.971 0.908 . . . . 1.0 112.59 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.81 -33.93 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 123.518 0.727 . . . . 1.0 111.635 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mt -64.71 -43.89 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.632 0.773 . . . . 1.0 110.197 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.37 -43.99 97.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.307 1.043 . . . . 1.0 112.136 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.01 87.31 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.235 1.014 . . . . 1.0 112.781 174.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -59.88 -48.25 82.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 1.0 111.852 172.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -64.38 -36.95 85.8 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.928 0.714 . . . . 1.0 112.928 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.2 95.14 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.221 1.373 . . . . 1.0 111.581 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.32 -30.32 71.07 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.237 1.199 . . . . 1.0 114.237 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.8 p -96.43 -32.48 12.31 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.294 1.22 . . . . 1.0 114.294 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.19 -37.89 44.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.794 1.238 . . . . 1.0 112.24 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -54.69 118.07 3.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.572 0.749 . . . . 1.0 110.878 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 49.12 25.92 1.29 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.712 1.605 . . . . 1.0 114.333 -174.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.9 m80 49.81 34.0 7.09 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.122 1.769 . . . . 1.0 114.329 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -56.0 124.89 19.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.099 1.76 . . . . 1.0 112.534 -175.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -148.02 159.62 43.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.582 1.553 . . . . 1.0 112.266 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -76.63 164.69 25.67 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.552 1.141 . . . . 1.0 112.94 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 124.277 1.031 . . . . 1.0 112.394 170.347 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 112.463 0.542 . . . . 1.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.12 -21.89 19.07 Favored Glycine 0 N--CA 1.478 1.474 0 C-N-CA 124.427 1.013 . . . . 1.0 115.083 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 p -63.63 -25.55 68.28 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.131 1.373 . . . . 1.0 114.609 -171.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.2 -10.96 85.26 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.42 1.01 . . . . 1.0 115.041 174.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -125.12 -33.54 2.87 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.562 1.545 . . . . 1.0 114.04 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.36 133.96 28.49 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.295 0.95 . . . . 1.0 112.863 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -134.76 152.42 51.74 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.661 1.984 . . . . 1.0 111.75 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.69 167.86 54.77 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.452 1.025 . . . . 1.0 114.908 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.14 160.03 41.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.139 1.776 . . . . 1.0 111.451 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 81.0 mt -73.4 129.54 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.337 0.655 . . . . 1.0 110.808 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -91.03 -64.88 1.07 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.728 0.811 . . . . 1.0 109.272 169.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -138.82 0.25 1.97 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.859 1.664 . . . . 1.0 115.128 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.4 -48.49 71.52 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.082 1.512 . . . . 1.0 115.082 -169.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -67.67 -38.07 83.24 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.353 0.979 . . . . 1.0 111.946 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 71.0 m -64.0 -44.09 93.7 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.037 0.935 . . . . 1.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.03 91.66 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.512 1.125 . . . . 1.0 112.321 173.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.47 95.38 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.682 0.673 . . . . 1.0 112.594 174.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.5 mt -66.96 -41.13 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.774 0.83 . . . . 1.0 110.808 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -61.52 -47.54 85.14 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.341 1.057 . . . . 1.0 111.447 174.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.29 -45.7 90.18 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.491 0.716 . . . . 1.0 111.755 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -55.57 -45.42 77.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.824 0.849 . . . . 1.0 111.652 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.76 96.1 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.672 -0.642 . . . . 1.0 111.596 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -61.7 -43.34 99.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.018 0.927 . . . . 1.0 112.238 173.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.38 -31.16 72.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.562 1.145 . . . . 1.0 113.217 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -94.28 -2.72 51.84 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.006 1.322 . . . . 1.0 114.115 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.94 20.39 74.51 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.549 1.071 . . . . 1.0 114.775 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -86.87 147.28 25.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 1.0 111.249 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -66.51 129.62 40.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.532 0.733 . . . . 1.0 111.404 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -155.18 151.47 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.267 1.427 . . . . 1.0 110.806 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -69.54 150.41 47.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.781 -0.574 . . . . 1.0 111.955 172.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.9 p -74.47 -42.02 59.75 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.763 0.825 . . . . 1.0 112.033 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -138.52 -11.37 1.38 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 115.894 1.813 . . . . 1.0 115.894 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.93 -179.66 53.14 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.627 1.108 . . . . 1.0 113.425 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -62.65 135.78 57.55 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.107 0.963 . . . . 1.0 110.983 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.2 mt -78.32 133.58 63.91 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 123.49 0.716 . . . . 1.0 110.292 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.38 145.29 76.94 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.785 2.324 . . . . 1.0 112.562 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.64 66.19 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.422 0.897 . . . . 1.0 113.422 176.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.82 -44.1 69.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 1.0 111.797 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.98 -35.22 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.087 0.955 . . . . 1.0 111.694 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.0 mt -62.83 -45.53 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 123.137 0.575 . . . . 1.0 110.146 172.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.99 -44.25 97.12 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.928 0.891 . . . . 1.0 112.327 172.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.79 82.01 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.417 1.087 . . . . 1.0 112.537 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.1 -44.01 98.01 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.883 1.273 . . . . 1.0 112.152 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -67.45 -39.46 85.37 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.219 0.822 . . . . 1.0 113.219 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.91 -38.22 69.94 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.352 0.978 . . . . 1.0 112.574 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.88 -30.42 61.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.192 1.397 . . . . 1.0 114.105 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.2 p -108.23 -21.44 12.77 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.992 1.317 . . . . 1.0 114.166 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.0 tp -87.1 -34.82 18.99 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.107 1.363 . . . . 1.0 113.791 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.89 161.18 29.19 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.134 1.161 . . . . 1.0 114.134 -176.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -68.94 148.98 49.38 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.948 1.699 . . . . 1.0 112.357 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 21.8 m80 53.04 34.33 16.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.176 1.79 . . . . 1.0 115.182 174.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -78.76 -21.22 48.25 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.937 1.458 . . . . 1.0 114.937 -174.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -86.82 147.58 25.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.325 1.45 . . . . 1.0 111.861 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -73.28 -29.45 62.74 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 114.655 1.354 . . . . 1.0 114.655 -169.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.256 1.395 0 C-N-CA 125.991 1.716 . . . . 1.0 110.929 176.434 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.712 0.291 . . . . 1.0 111.706 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.15 -169.85 52.64 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.303 0.954 . . . . 1.0 114.197 -176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.9 p -147.5 163.09 37.63 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.379 1.472 . . . . 1.0 112.73 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.97 172.69 45.71 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.777 1.179 . . . . 1.0 113.421 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -130.09 157.96 40.96 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.075 1.75 . . . . 1.0 112.272 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.77 -147.37 46.54 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.064 0.84 . . . . 1.0 113.0 -175.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.0 ptt85 -150.36 169.21 21.96 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.119 1.768 . . . . 1.0 112.859 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.26 172.79 54.35 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.22 0.914 . . . . 1.0 113.177 169.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.42 160.27 43.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.626 1.57 . . . . 1.0 112.034 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.01 132.23 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.871 0.868 . . . . 1.0 109.976 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -88.78 -67.71 0.82 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.231 0.612 . . . . 1.0 109.676 169.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -148.52 3.14 0.65 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.151 1.908 . . . . 1.0 116.151 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.09 -44.28 97.6 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.961 1.097 . . . . 1.0 113.961 -169.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -71.19 -38.74 72.09 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.656 -0.652 . . . . 1.0 111.341 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -61.87 -42.89 99.6 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.945 0.898 . . . . 1.0 111.701 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.03 95.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.428 1.091 . . . . 1.0 112.471 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.45 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.781 0.718 . . . . 1.0 112.337 174.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.47 -43.72 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.704 0.801 . . . . 1.0 110.944 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -62.9 -47.43 83.32 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.735 0.814 . . . . 1.0 112.316 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.58 -41.36 96.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.705 0.684 . . . . 1.0 112.531 177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -55.84 -47.59 76.98 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.56 -0.713 . . . . 1.0 111.595 170.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.72 91.47 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.386 -0.821 . . . . 1.0 112.064 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -61.37 -41.4 97.02 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.185 1.394 . . . . 1.0 112.148 173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -69.83 -28.77 65.97 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.517 1.127 . . . . 1.0 113.699 175.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -94.26 -3.75 50.09 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.661 1.184 . . . . 1.0 114.091 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.7 20.2 75.57 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.378 0.989 . . . . 1.0 114.518 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -89.0 146.12 25.07 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.793 1.237 . . . . 1.0 111.438 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -66.31 132.45 48.41 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.584 0.754 . . . . 1.0 111.531 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.49 149.11 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.814 1.245 . . . . 1.0 111.191 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -71.25 155.94 40.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.067 0.947 . . . . 1.0 111.913 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 p -92.77 -53.94 3.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.822 . . . . 1.0 113.046 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -116.55 -22.63 8.6 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.166 1.543 . . . . 1.0 115.166 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.84 -164.53 29.51 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.519 1.057 . . . . 1.0 114.085 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -69.35 143.27 53.79 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.223 1.009 . . . . 1.0 110.615 170.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.5 mt -72.63 137.33 80.38 Favored Pre-proline 0 N--CA 1.481 1.087 0 CA-C-O 118.697 -0.668 . . . . 1.0 110.079 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -67.3 139.76 50.99 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.773 2.316 . . . . 1.0 112.165 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.17 -28.56 69.75 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.866 1.061 . . . . 1.0 113.866 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -62.89 -31.28 72.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.827 0.74 . . . . 1.0 112.461 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.11 -36.33 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 123.665 0.786 . . . . 1.0 111.312 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mt -61.72 -47.26 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.333 0.653 . . . . 1.0 110.215 171.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.59 -44.57 96.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.143 0.977 . . . . 1.0 112.379 172.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.09 -44.07 87.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.823 1.249 . . . . 1.0 112.952 175.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -63.33 -47.59 81.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.815 0.846 . . . . 1.0 111.498 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -61.39 -38.22 86.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.92 0.711 . . . . 1.0 112.92 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.57 95.78 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.284 0.947 . . . . 1.0 111.857 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.43 -40.26 85.47 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.991 0.917 . . . . 1.0 113.315 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 74.4 p -79.69 -36.42 37.61 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.62 0.971 . . . . 1.0 113.62 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.7 tp -81.85 -34.89 29.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.483 1.113 . . . . 1.0 112.624 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 46.71 76.03 0.11 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.919 2.088 . . . . 1.0 113.39 176.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -53.28 -26.77 19.59 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.727 1.381 . . . . 1.0 114.727 -171.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -82.64 1.89 36.15 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.694 1.738 . . . . 1.0 115.694 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -73.82 -30.92 62.97 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 120.19 1.359 . . . . 1.0 113.773 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -94.63 145.24 24.97 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.394 1.478 . . . . 1.0 111.512 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -134.0 159.99 39.09 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.677 1.591 . . . . 1.0 112.185 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 124.608 1.163 . . . . 1.0 112.097 176.206 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 112.668 0.618 . . . . 1.0 112.668 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -178.85 171.77 43.95 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-N 119.348 0.976 . . . . 1.0 113.413 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -150.67 163.23 39.04 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.031 1.332 . . . . 1.0 112.109 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.64 -169.44 54.74 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.03 1.3 . . . . 1.0 114.818 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 58.59 16.75 4.49 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 127.039 2.135 . . . . 1.0 115.991 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.56 142.06 34.65 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.43 1.014 . . . . 1.0 112.311 172.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -134.45 143.05 47.31 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.362 1.465 . . . . 1.0 111.771 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.63 -28.66 50.94 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.999 0.809 . . . . 1.0 114.638 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 50.95 46.58 26.12 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.747 1.219 . . . . 1.0 112.166 -169.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.3 mm -81.06 142.7 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.356 1.062 . . . . 1.0 112.039 -169.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -141.04 -56.81 0.5 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.995 0.918 . . . . 1.0 112.499 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.39 -33.21 67.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.261 1.025 . . . . 1.0 113.72 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.85 4.48 44.4 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.457 1.103 . . . . 1.0 113.739 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -58.83 -37.62 76.84 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.028 -1.045 . . . . 1.0 111.677 174.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.8 m -63.81 -45.87 87.71 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.515 -0.74 . . . . 1.0 111.287 174.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.16 83.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.316 -0.865 . . . . 1.0 112.185 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.1 89.83 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.713 -0.617 . . . . 1.0 112.616 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -67.1 -42.3 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.894 0.77 . . . . 1.0 111.256 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -64.3 -42.91 96.13 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.672 -0.642 . . . . 1.0 111.728 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.07 -48.21 82.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.822 0.849 . . . . 1.0 111.593 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -55.78 -45.64 78.13 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.304 1.042 . . . . 1.0 112.004 175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.04 97.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.213 0.605 . . . . 1.0 111.89 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -64.07 -42.01 97.13 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.856 0.863 . . . . 1.0 112.58 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -66.82 -28.17 68.15 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.258 1.423 . . . . 1.0 113.583 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -98.06 3.77 49.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.584 1.154 . . . . 1.0 113.878 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.98 20.85 75.04 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.601 1.096 . . . . 1.0 114.998 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.55 155.38 25.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.742 1.217 . . . . 1.0 111.89 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -67.92 121.83 16.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.559 0.744 . . . . 1.0 110.981 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.0 p -151.57 141.29 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.208 1.403 . . . . 1.0 110.984 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.1 m -67.46 125.26 25.57 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.317 1.047 . . . . 1.0 110.685 174.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -76.75 -21.95 54.49 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.66 0.985 . . . . 1.0 113.66 -175.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -125.6 160.08 30.53 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.74 2.016 . . . . 1.0 110.885 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.04 -154.43 52.83 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.1 0.857 . . . . 1.0 114.391 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 159.89 31.93 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.121 1.368 . . . . 1.0 112.174 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -96.54 142.58 24.75 Favored Pre-proline 0 N--CA 1.479 0.996 0 C-N-CA 125.329 1.452 . . . . 1.0 110.474 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -65.07 133.26 34.89 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.531 2.821 . . . . 1.0 112.462 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.16 66.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 120.957 -1.089 . . . . 1.0 113.543 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.29 -39.56 90.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.035 0.934 . . . . 1.0 112.725 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.83 -29.36 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 121.879 -0.513 . . . . 1.0 112.196 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.4 mt -65.04 -44.21 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.505 0.722 . . . . 1.0 110.358 169.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.89 -43.37 98.98 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.104 -0.998 . . . . 1.0 111.938 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.01 -40.97 86.56 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.727 0.811 . . . . 1.0 112.739 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.05 -48.55 81.21 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.411 0.684 . . . . 1.0 111.367 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -62.93 -37.41 86.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.499 -0.751 . . . . 1.0 112.59 176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.46 87.52 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.242 -0.911 . . . . 1.0 112.2 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.76 -41.34 75.32 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.361 1.064 . . . . 1.0 113.692 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.3 p -81.24 -36.65 29.72 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.113 1.153 . . . . 1.0 114.113 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 mt -88.37 -21.54 24.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.576 1.15 . . . . 1.0 112.902 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.3 12.7 pt-20 46.22 43.85 11.65 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 127.554 2.342 . . . . 1.0 114.897 174.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -54.34 -35.16 62.43 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.431 1.092 . . . . 1.0 113.471 -174.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -60.54 -27.08 67.37 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.852 1.261 . . . . 1.0 114.298 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -93.49 -40.2 10.46 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.162 1.385 . . . . 1.0 112.918 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -70.88 -34.72 71.88 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.265 1.209 . . . . 1.0 114.265 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -83.24 153.43 24.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.6 1.16 . . . . 1.0 112.16 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 72.4 t60 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.154 1.781 . . . . 1.0 110.77 175.739 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 112.109 0.411 . . . . 1.0 112.109 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.92 20.64 64.71 Favored Glycine 0 N--CA 1.478 1.484 0 C-N-CA 124.739 1.161 . . . . 1.0 115.851 171.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m 55.68 23.71 6.46 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.765 1.626 . . . . 1.0 114.341 -170.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.94 14.77 73.57 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.499 1.047 . . . . 1.0 115.015 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.6 mtm180 -74.41 144.4 44.33 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.517 1.159 . . . . 1.0 112.95 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.23 137.6 26.63 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.221 0.915 . . . . 1.0 112.963 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -131.38 149.65 52.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.133 1.773 . . . . 1.0 111.443 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.33 150.69 44.07 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.28 0.943 . . . . 1.0 113.411 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -149.76 155.25 39.82 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.373 1.469 . . . . 1.0 112.12 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.67 136.42 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.524 1.13 . . . . 1.0 108.74 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -86.69 38.11 0.78 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.675 1.19 . . . . 1.0 112.965 -173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.281 15.0 ptp180 48.48 18.23 0.16 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.189 2.996 . . . . 1.0 117.002 -172.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.14 -51.71 50.52 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.068 -1.02 . . . . 1.0 112.424 -173.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -70.02 -39.84 75.57 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.292 0.478 . . . . 1.0 112.292 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.7 p -66.13 -42.7 88.76 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.448 -0.783 . . . . 1.0 111.728 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.15 93.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.051 0.842 . . . . 1.0 112.648 172.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.88 91.24 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.798 0.726 . . . . 1.0 112.593 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.9 -45.5 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.838 0.855 . . . . 1.0 110.598 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -59.65 -50.92 71.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.135 0.974 . . . . 1.0 111.137 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -65.57 -41.2 93.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.562 0.619 . . . . 1.0 112.524 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -56.28 -49.75 73.33 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.733 0.697 . . . . 1.0 111.576 170.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.35 96.86 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.369 0.667 . . . . 1.0 112.078 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -62.9 -43.16 99.53 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.877 1.671 . . . . 1.0 112.25 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -75.87 -21.6 57.03 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.2 1.0 . . . . 1.0 113.669 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -92.04 4.43 53.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.645 1.178 . . . . 1.0 113.638 170.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.41 15.72 77.26 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.586 1.089 . . . . 1.0 115.225 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.21 151.48 28.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.579 1.152 . . . . 1.0 111.353 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -70.03 118.14 12.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.45 0.7 . . . . 1.0 111.533 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.3 p -150.91 146.14 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.173 1.389 . . . . 1.0 110.835 174.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -74.82 153.29 38.79 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.451 0.643 . . . . 1.0 112.547 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.7 p -83.47 -17.43 42.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.888 1.275 . . . . 1.0 113.156 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -141.54 -26.19 0.69 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.859 1.8 . . . . 1.0 115.859 -174.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.04 -176.31 50.73 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.989 1.281 . . . . 1.0 113.978 176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -72.52 154.38 40.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.247 1.019 . . . . 1.0 111.765 175.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -85.48 138.32 36.14 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 1.0 109.798 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.83 139.99 65.07 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.605 2.203 . . . . 1.0 112.096 175.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.66 -29.74 70.27 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.169 0.803 . . . . 1.0 113.169 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.81 -36.39 78.92 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.702 0.801 . . . . 1.0 112.386 172.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -78.99 -35.01 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.563 1.145 . . . . 1.0 111.71 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mt -60.95 -45.23 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 121.546 -0.721 . . . . 1.0 110.412 169.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.77 -42.69 99.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.938 0.895 . . . . 1.0 112.523 172.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.72 -42.92 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.466 1.107 . . . . 1.0 112.412 174.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -65.22 -44.96 86.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.314 1.046 . . . . 1.0 111.808 174.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -60.12 -37.89 81.39 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.041 -1.037 . . . . 1.0 112.399 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.59 -53.12 52.74 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.972 0.806 . . . . 1.0 110.983 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.86 75.85 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.796 1.036 . . . . 1.0 113.796 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 45.0 p -85.26 -11.28 55.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.971 1.471 . . . . 1.0 114.971 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.6 mt -123.4 -42.07 2.25 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.601 1.091 . . . . 1.0 113.78 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -91.64 5.03 51.24 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.132 1.373 . . . . 1.0 114.32 -173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.37 134.36 28.37 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.612 1.165 . . . . 1.0 112.68 171.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 59.2 23.94 12.31 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 116.303 1.964 . . . . 1.0 116.303 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -100.21 0.95 41.41 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 114.709 1.374 . . . . 1.0 114.709 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -73.78 -28.0 61.44 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 114.436 1.273 . . . . 1.0 114.436 -172.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -69.73 162.72 27.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.907 1.283 . . . . 1.0 113.185 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 124.328 1.051 . . . . 1.0 111.639 170.423 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.486 1.352 0 N-CA-C 111.999 0.37 . . . . 1.0 111.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.07 -173.35 52.77 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.479 1.038 . . . . 1.0 114.405 -177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.8 m -136.6 156.51 48.47 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.559 1.544 . . . . 1.0 112.294 -176.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.33 163.43 51.23 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.045 0.831 . . . . 1.0 113.8 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -73.12 148.15 44.22 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.238 1.015 . . . . 1.0 113.565 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.97 -143.53 47.06 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.093 0.854 . . . . 1.0 112.765 -176.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -86.05 -38.71 17.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.792 1.237 . . . . 1.0 113.604 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.15 -4.83 61.09 Favored Glycine 0 CA--C 1.544 1.873 0 C-N-CA 125.126 1.346 . . . . 1.0 114.89 -169.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.01 149.69 28.43 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.9 1.68 . . . . 1.0 111.747 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.01 142.45 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.522 1.129 . . . . 1.0 110.597 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -81.42 49.01 1.23 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.166 1.386 . . . . 1.0 112.553 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . 0.275 9.2 ptm180 49.59 -3.37 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 130.447 3.499 . . . . 1.0 119.078 -176.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -52.62 -55.83 19.68 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.143 1.777 . . . . 1.0 112.39 -178.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.73 -34.37 71.82 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.605 -0.685 . . . . 1.0 111.658 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.8 m -64.4 -15.04 59.79 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.409 1.484 . . . . 1.0 114.0 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.73 -47.19 4.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.237 1.815 . . . . 1.0 112.33 169.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.98 96.17 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.938 0.895 . . . . 1.0 113.211 -175.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.04 -36.53 68.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.727 -0.608 . . . . 1.0 110.438 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -66.61 -44.39 82.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.222 1.009 . . . . 1.0 111.851 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.39 -46.84 86.79 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.702 0.683 . . . . 1.0 111.367 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -53.83 -47.45 70.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.868 1.267 . . . . 1.0 112.164 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.91 97.0 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.017 0.927 . . . . 1.0 112.481 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -66.42 -37.34 84.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.125 0.97 . . . . 1.0 112.33 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -66.07 -40.85 91.22 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.816 1.246 . . . . 1.0 112.551 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -99.39 -3.24 34.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.499 1.666 . . . . 1.0 115.499 -173.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.79 14.83 58.99 Favored Glycine 0 CA--C 1.537 1.447 0 N-CA-C 116.406 1.322 . . . . 1.0 116.406 173.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -76.48 143.21 40.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.517 1.658 . . . . 1.0 111.509 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -70.17 128.39 36.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 1.0 111.435 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.65 145.13 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.006 1.322 . . . . 1.0 110.752 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 t -71.32 147.08 48.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.139 0.576 . . . . 1.0 112.207 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.3 p -77.61 -14.92 59.51 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.765 1.226 . . . . 1.0 113.597 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -138.9 -32.17 0.69 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.809 1.411 . . . . 1.0 114.809 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.67 -170.29 37.49 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.063 1.316 . . . . 1.0 114.284 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -74.29 159.9 31.81 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.62 1.168 . . . . 1.0 112.029 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.4 mt -82.9 138.92 42.99 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.266 1.026 . . . . 1.0 109.824 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -66.25 138.15 50.24 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.432 2.088 . . . . 1.0 112.127 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.36 -31.61 71.5 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.27 -36.04 74.81 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.563 0.745 . . . . 1.0 112.408 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.4 t -79.64 -34.64 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 124.507 1.123 . . . . 1.0 111.509 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 15.6 mt -61.45 -44.64 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.418 -0.801 . . . . 1.0 110.386 169.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -61.93 -43.26 99.22 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.875 0.87 . . . . 1.0 112.101 172.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.81 84.98 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.429 1.092 . . . . 1.0 112.461 174.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -61.37 -49.88 75.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.234 1.013 . . . . 1.0 111.513 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -62.06 -36.11 80.66 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.911 0.708 . . . . 1.0 112.911 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.85 92.71 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.384 0.993 . . . . 1.0 110.908 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.53 87.91 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.699 0.999 . . . . 1.0 113.699 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -79.3 -31.49 43.25 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.714 1.005 . . . . 1.0 113.714 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 66.7 tp -87.84 -48.38 7.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.418 1.087 . . . . 1.0 113.699 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -86.2 126.14 34.04 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.383 0.883 . . . . 1.0 113.383 -174.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -140.03 152.54 46.31 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.057 1.743 . . . . 1.0 111.07 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . 0.252 26.2 p80 46.61 39.43 6.91 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.678 1.991 . . . . 1.0 115.8 176.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -126.82 154.15 44.69 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.274 1.83 . . . . 1.0 111.084 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -123.96 13.66 9.15 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.774 1.398 . . . . 1.0 114.774 -170.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -142.66 154.28 44.2 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.506 1.522 . . . . 1.0 111.516 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.4 p80 . . . . . 0 C--O 1.256 1.426 0 C-N-CA 124.221 1.008 . . . . 1.0 113.021 171.378 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 112.589 0.589 . . . . 1.0 112.589 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -179.01 167.32 37.47 Favored Glycine 0 CA--C 1.535 1.305 0 CA-C-N 119.405 1.002 . . . . 1.0 113.812 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 m -62.6 143.69 57.0 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.719 1.207 . . . . 1.0 112.905 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.8 24.69 60.46 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.109 0.861 . . . . 1.0 114.646 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 51.18 30.66 5.89 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.203 1.801 . . . . 1.0 113.385 -171.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.95 8.45 86.77 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.958 1.266 . . . . 1.0 115.878 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -66.64 137.57 56.81 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.566 1.683 . . . . 1.0 111.188 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.76 156.04 52.73 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.284 0.945 . . . . 1.0 113.691 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.14 36.86 0.19 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.899 1.68 . . . . 1.0 113.202 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.3 mt -139.18 143.5 31.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.184 2.193 . . . . 1.0 109.756 -169.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -105.66 -47.16 3.97 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.487 1.515 . . . . 1.0 111.555 177.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -143.98 -7.9 0.72 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.917 2.087 . . . . 1.0 114.294 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.73 63.28 0.86 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.683 1.993 . . . . 1.0 113.23 -173.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -60.86 -28.47 68.87 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.817 -1.177 . . . . 1.0 113.566 -177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 p -59.53 -50.96 71.89 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.244 -0.91 . . . . 1.0 111.772 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.56 84.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.443 1.097 . . . . 1.0 112.477 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.71 95.33 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.63 -0.669 . . . . 1.0 112.22 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.32 -38.68 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.625 0.77 . . . . 1.0 110.88 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -57.27 -49.24 76.68 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.491 1.116 . . . . 1.0 111.15 172.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -66.16 -45.9 79.3 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.493 0.717 . . . . 1.0 111.683 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -56.8 -43.05 80.57 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.143 0.977 . . . . 1.0 112.285 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.66 99.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.106 0.963 . . . . 1.0 111.97 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -64.24 -42.88 96.34 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.305 1.042 . . . . 1.0 112.016 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.28 -34.61 78.06 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.176 1.39 . . . . 1.0 112.919 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -97.96 1.98 48.52 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.169 1.174 . . . . 1.0 114.169 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.36 21.82 77.47 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.284 0.945 . . . . 1.0 114.976 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -78.8 156.9 28.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.485 1.114 . . . . 1.0 111.873 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -75.42 105.48 6.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.703 0.801 . . . . 1.0 111.501 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.18 144.12 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.845 1.658 . . . . 1.0 110.871 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -68.41 154.28 42.11 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.068 0.547 . . . . 1.0 111.107 171.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.2 p -76.21 -22.27 55.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.347 1.059 . . . . 1.0 113.269 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.6 ptt85 -144.87 -23.16 0.5 Allowed 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.293 1.96 . . . . 1.0 116.293 -173.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.03 -171.59 38.0 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.827 1.204 . . . . 1.0 113.535 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.22 154.39 41.4 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.064 0.946 . . . . 1.0 111.96 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.02 137.83 33.0 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.389 1.076 . . . . 1.0 109.224 174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.11 137.95 50.11 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.41 2.073 . . . . 1.0 112.076 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.51 68.94 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.099 0.778 . . . . 1.0 113.099 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.43 -36.51 78.37 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.918 0.887 . . . . 1.0 112.492 173.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.8 t -80.07 -34.36 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.471 1.108 . . . . 1.0 111.56 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.86 -45.29 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 121.565 -0.709 . . . . 1.0 110.501 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.55 -43.24 99.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.018 0.927 . . . . 1.0 112.207 172.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.36 80.52 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.328 1.051 . . . . 1.0 112.515 173.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -61.89 -48.89 78.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.903 0.881 . . . . 1.0 111.142 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -62.25 -36.89 83.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.37 97.52 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.401 -0.812 . . . . 1.0 112.028 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.85 86.28 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.382 1.073 . . . . 1.0 113.432 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 76.3 p -80.14 -38.58 31.18 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.625 0.972 . . . . 1.0 113.625 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.5 tp -83.96 -29.68 26.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.569 1.147 . . . . 1.0 112.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 50.55 70.59 0.5 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.822 2.049 . . . . 1.0 114.163 171.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -53.16 -24.11 9.88 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 115.11 1.522 . . . . 1.0 115.11 -176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -77.98 -5.07 50.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.435 1.494 . . . . 1.0 114.864 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -76.28 66.46 2.38 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.797 1.639 . . . . 1.0 112.66 -176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -81.08 -27.46 35.63 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.376 1.07 . . . . 1.0 113.367 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -77.44 172.59 13.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.295 1.438 . . . . 1.0 111.97 170.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 66.9 t60 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 123.692 0.797 . . . . 1.0 110.886 169.601 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 112.043 0.386 . . . . 1.0 112.043 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.49 18.69 79.49 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 123.994 0.807 . . . . 1.0 115.055 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.9 m -64.13 -20.24 65.84 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.234 1.414 . . . . 1.0 114.797 -169.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.9 -10.23 76.93 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.845 1.212 . . . . 1.0 115.121 176.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -70.67 155.45 40.74 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.77 1.285 . . . . 1.0 111.922 174.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.05 128.95 37.62 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.241 0.924 . . . . 1.0 112.836 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -135.95 156.3 48.96 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.136 1.774 . . . . 1.0 111.41 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.33 10.01 65.32 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.401 1.477 . . . . 1.0 115.857 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.27 65.47 1.61 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.116 1.458 . . . . 1.0 111.105 172.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -122.26 139.8 48.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 126.576 1.95 . . . . 1.0 110.731 -169.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -134.37 -54.14 0.84 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.535 1.134 . . . . 1.0 113.429 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -75.52 -32.04 60.34 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.185 1.394 . . . . 1.0 112.979 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -99.7 22.28 11.19 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.737 1.615 . . . . 1.0 113.134 -173.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -65.97 -5.9 10.91 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.425 1.269 . . . . 1.0 114.425 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.4 m -51.07 -41.94 60.25 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.447 1.476 . . . . 1.0 112.642 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.95 90.65 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.037 -1.039 . . . . 1.0 112.683 175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.14 90.68 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.542 0.737 . . . . 1.0 111.877 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 66.7 mt -65.33 -44.09 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.231 1.412 . . . . 1.0 110.638 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -64.71 -45.59 85.93 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.975 0.91 . . . . 1.0 111.746 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.03 -45.29 89.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.393 0.677 . . . . 1.0 111.618 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -54.53 -45.76 73.42 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.137 0.975 . . . . 1.0 111.648 172.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.23 97.2 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.653 -0.654 . . . . 1.0 111.665 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -63.89 -40.78 97.33 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.077 0.951 . . . . 1.0 112.443 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -64.22 -34.65 78.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.725 1.21 . . . . 1.0 113.032 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -90.03 -6.74 55.23 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.011 1.115 . . . . 1.0 114.011 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.29 20.63 75.32 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.299 0.952 . . . . 1.0 114.097 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -81.77 149.84 28.21 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.729 1.212 . . . . 1.0 111.378 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.07 131.28 49.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.638 0.775 . . . . 1.0 111.019 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.58 156.48 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.639 1.176 . . . . 1.0 111.105 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.9 p -71.68 -20.78 61.88 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.496 1.665 . . . . 1.0 115.496 -172.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.277 46.5 p 53.24 24.25 3.63 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.92 2.088 . . . . 1.0 114.238 -169.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -133.5 177.77 7.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.065 2.146 . . . . 1.0 112.077 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.24 96.15 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.069 1.318 . . . . 1.0 114.056 -176.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -83.72 143.44 30.02 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.832 1.253 . . . . 1.0 110.826 171.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.1 mt -127.3 141.52 41.07 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 125.648 1.579 . . . . 1.0 109.891 -175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -66.88 143.63 67.43 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.536 2.158 . . . . 1.0 112.607 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.65 67.48 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.294 0.85 . . . . 1.0 113.294 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -53.71 -43.4 68.99 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.257 1.023 . . . . 1.0 112.009 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 t -79.06 -36.36 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 124.122 0.969 . . . . 1.0 111.577 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 mt -60.3 -46.76 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 123.169 0.588 . . . . 1.0 110.189 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.11 -42.81 99.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.537 1.135 . . . . 1.0 112.444 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.85 89.06 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.474 1.11 . . . . 1.0 112.543 176.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.61 -47.18 82.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.961 0.905 . . . . 1.0 111.452 173.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -58.38 -39.6 80.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.981 0.809 . . . . 1.0 112.478 175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.29 96.83 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.889 0.768 . . . . 1.0 111.473 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.09 93.65 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.7 p -80.78 -27.75 36.59 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.12 1.156 . . . . 1.0 114.12 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -99.9 -39.37 8.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.472 1.109 . . . . 1.0 113.96 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.93 87.76 5.91 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 122.193 0.997 . . . . 1.0 110.771 -173.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -76.07 -3.16 34.41 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.607 1.706 . . . . 1.0 115.607 -170.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -106.59 11.61 30.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.487 1.515 . . . . 1.0 113.704 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -78.28 -8.7 58.69 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.762 1.764 . . . . 1.0 115.762 -170.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -135.14 162.89 31.23 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.969 1.707 . . . . 1.0 112.244 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -70.72 157.53 37.86 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.953 0.901 . . . . 1.0 111.255 169.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 . . . . . 0 C--O 1.256 1.424 0 C-N-CA 125.443 1.497 . . . . 1.0 112.337 -173.735 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 111.886 0.328 . . . . 1.0 111.886 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -177.77 177.72 48.37 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.538 1.066 . . . . 1.0 113.541 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.8 m -76.7 -15.73 59.71 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.49 1.293 . . . . 1.0 114.49 -174.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.11 -155.12 53.19 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.165 0.888 . . . . 1.0 113.811 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 53.27 38.7 28.36 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.732 1.613 . . . . 1.0 114.236 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.91 138.58 37.49 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.391 0.996 . . . . 1.0 112.816 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -141.02 163.58 32.58 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.407 1.883 . . . . 1.0 111.547 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.5 16.01 11.64 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.728 1.632 . . . . 1.0 116.22 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.52 64.53 1.19 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.926 1.363 . . . . 1.0 111.172 169.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.9 mm -121.83 142.36 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 126.789 2.036 . . . . 1.0 110.132 -169.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -146.0 -44.73 0.2 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.239 0.829 . . . . 1.0 113.239 -171.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? -59.53 -38.64 81.54 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.616 0.767 . . . . 1.0 112.582 178.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.44 -38.83 68.19 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.256 1.023 . . . . 1.0 111.662 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -68.77 -45.35 71.6 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.871 -0.518 . . . . 1.0 111.505 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 p -62.21 -43.05 99.7 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.871 -0.518 . . . . 1.0 111.685 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.488 0.715 . . . . 1.0 112.846 174.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.73 96.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.373 0.669 . . . . 1.0 112.293 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.06 -38.6 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.648 0.779 . . . . 1.0 110.911 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -60.1 -48.91 79.76 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 118.68 0.673 . . . . 1.0 111.039 172.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -60.65 -47.79 84.66 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.385 0.674 . . . . 1.0 111.462 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -55.7 -47.62 76.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.919 1.288 . . . . 1.0 112.108 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.58 99.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.876 0.87 . . . . 1.0 112.523 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.34 -42.89 98.96 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.786 0.834 . . . . 1.0 111.904 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -67.5 -33.88 75.99 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.28 1.432 . . . . 1.0 113.107 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -96.2 7.82 45.44 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.872 1.434 . . . . 1.0 114.872 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.87 16.98 71.24 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.825 1.49 . . . . 1.0 116.825 169.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -96.31 137.93 34.66 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 119.302 1.551 . . . . 1.0 112.011 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -72.2 135.25 46.04 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.885 0.874 . . . . 1.0 111.493 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 m -148.02 148.68 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.694 1.597 . . . . 1.0 111.869 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.5 m -65.34 146.78 54.47 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.701 1.2 . . . . 1.0 112.083 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.7 p -83.87 -62.04 1.67 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.043 0.937 . . . . 1.0 113.155 -169.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -73.46 -36.05 65.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.059 0.943 . . . . 1.0 113.135 -172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.36 -162.53 30.6 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.761 1.648 . . . . 1.0 112.106 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 52.9 47.68 24.13 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.486 1.515 . . . . 1.0 113.657 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.7 mt -64.38 143.52 98.48 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 124.277 1.031 . . . . 1.0 109.315 171.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.2 138.8 57.68 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.038 1.825 . . . . 1.0 112.193 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.97 -28.78 69.25 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.214 0.82 . . . . 1.0 113.214 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.87 -38.05 81.08 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.885 0.874 . . . . 1.0 112.384 172.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.1 t -78.74 -36.09 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.312 1.045 . . . . 1.0 111.394 178.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.22 -45.45 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.567 -0.708 . . . . 1.0 110.749 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.67 -43.29 99.14 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.222 1.009 . . . . 1.0 112.123 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.06 81.27 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.364 1.066 . . . . 1.0 112.516 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -60.5 -50.46 73.47 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.007 0.923 . . . . 1.0 111.529 172.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -63.01 -33.98 76.57 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.217 0.821 . . . . 1.0 113.217 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.84 85.82 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.019 -1.051 . . . . 1.0 111.392 172.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.4 -32.66 73.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.282 1.033 . . . . 1.0 113.474 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.7 p -86.24 -38.86 17.17 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.413 1.264 . . . . 1.0 114.413 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.3 tp -102.24 -30.8 10.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.658 1.725 . . . . 1.0 115.658 -169.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -72.64 136.32 45.66 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.412 1.005 . . . . 1.0 111.56 -171.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -60.16 -21.24 61.42 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 115.665 1.728 . . . . 1.0 115.665 -170.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -94.02 2.34 56.08 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 114.828 1.418 . . . . 1.0 114.828 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -68.5 -20.21 64.58 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.628 1.714 . . . . 1.0 115.628 -172.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.96 141.12 56.4 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.029 1.332 . . . . 1.0 113.665 -177.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -138.08 159.99 40.57 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.804 1.641 . . . . 1.0 111.819 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 124.343 1.057 . . . . 1.0 112.885 174.561 . . . . . . . . 0 0 . 1 stop_ save_